smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOc1c(Br)cc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1OC 3412988 IVLCRZMIYVRFPF-WYMPLXKRSA-N 477.742 5.534 50 40 JKGB CCOc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCCOc1ccc([C@@H](C)CC)cc1 4196622 ZIVUPNJAOQIVSQ-ZOPZMGNLSA-N 475.589 6.212 50 40 JKGB CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)NC(C)(C)C)=C(C#N)[C@@H]2c1ccc(Cl)cc1 8994468 RJEVLVFNEHGFRW-FQEVSTJZSA-N 458.027 5.053 50 40 JKGB COc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccco3)n2-c2ccc(Cl)cc2)cc1 9065359 CSHXMOIUCHZDAP-FHSXHZEZSA-N 493.976 5.097 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 9668272 TYOOUMXNUXXBQH-XDHOZWIPSA-N 452.337 6.679 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1F 9972744 NGBYATZXXVNPLB-XSFVSMFZSA-N 473.504 5.096 50 40 JKGB C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 19833156 UQAZJGNWZWVDDA-YUMHPJSZSA-N 493.976 5.279 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 20763947 IDXMGODUXJBEAI-RWPZCVJISA-N 487.383 6.134 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccc2ccccc2c1 34720865 MNVQCUOWYROTCB-BIZUNTBRSA-N 490.559 6.353 50 40 JKGB COc1ccc(-c2ccc(/C=N\NC(=O)Cc3ccc(Br)c4ccccc34)o2)cc1Cl 39383565 AGFYHUXZJJVMAN-VYYCAZPPSA-N 497.776 6.217 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1Cl 59248163 CGJGMRYODWMCBN-XFXZXTDPSA-N 494.197 7.046 50 40 JKGB COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)ccc1OCc1ccccc1 59473055 WZYUTUVPFSXADP-CIRUFVMISA-N 454.979 5.559 50 40 JKGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 83301370 LRAGGMLWAOTKFX-IONSAMEVSA-N 494.563 5.166 50 40 JKGB O/N=C(/c1ccccc1)c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 103438729 HZQIPVWRUZPTBW-MVJHLKBCSA-N 472.528 6.722 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1OC 105632286 HHDNYZTWOWKHFN-MDWZMJQESA-N 480.156 5.165 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1)c1cc2cc([N+](=O)[O-])ccc2s1 107684708 DNNYSITZJFKQSM-ZMOGYAJESA-N 476.470 5.061 50 40 JKGB CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 107797655 HCAHJVXZQVUOJD-FXBPSFAMSA-N 454.998 7.024 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 107986708 GNZBZZZHNXIGNC-IUXPMGMMSA-N 498.797 7.483 50 40 JKGB CC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccccc1)N2 229974284 BGFCFSUMQMMXNS-OMJUENHASA-N 479.001 6.836 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)cc1)C(=O)Nc1cccc(Br)c1 408762475 KNZKOMICLGAIOX-WQRHYEAKSA-N 451.295 5.713 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccccc1F 408790892 RVEKEIBACGYDDP-LICLKQGHSA-N 452.869 5.318 50 40 JKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)c1 408795174 KKIKAMAFNUQZIP-YBFXNURJSA-N 481.777 6.536 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1 408812384 SMGAEGFEMSHNKB-LHLOQNFPSA-N 498.582 7.516 50 40 JKGB Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)c1 408838105 CCRZCUFJSGVTRG-UHFFFAOYSA-N 498.391 5.844 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OCc2ccc(Cl)cc2Cl)c1 408845293 LWBFBQIOXOVDRL-LICLKQGHSA-N 471.315 6.266 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccc(Cl)cc1 408883160 TXCHKVNRTQIALT-STBIYBPSSA-N 472.928 5.875 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1c(C)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 408989898 VMMJFBOEHOCILJ-ZHZULCJRSA-N 484.943 6.414 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1OC 409019440 JEKRBWIPXWIQTA-JCMHNJIXSA-N 499.567 5.274 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409044464 CNSYKTGKDRIWHN-UDWIEESQSA-N 491.931 6.037 50 40 JKGB N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 409066221 MKCFHDYEBBMUGU-GHRIWEEISA-N 472.444 5.019 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)c(C)n1-c1ccccc1F 409117798 NDODPFFDDHIDOJ-KBKYJPHKSA-N 464.393 5.924 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2ccc(Cl)cc2)cc1 409226084 RYZPAAUSIXDHFC-JOMZKXDXSA-N 453.325 5.685 50 40 JKGB Cc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(Br)cc1 647813 YBJUXNJBZGNGGQ-OAQYLSRUSA-N 499.430 5.849 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1F)C(N)=C(C#N)[C@H]2c1cccs1 1064842 MORJSNGRNZSSDV-IBGZPJMESA-N 472.383 5.591 50 40 JKGB Cc1ccccc1[C@H]1C(/C=N/NC(=O)c2ccc([N+](=O)[O-])o2)=C(c2ccccc2)Oc2ccccc21 1835084 OBEBQXKELCDIAN-MKFKGKHESA-N 479.492 5.848 50 40 JKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Br)c1 3255710 QVWHODVXERSMBR-FYJGNVAPSA-N 461.359 6.191 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(Cl)c1 13941770 WRBOWAAALRKMTJ-VCHYOVAHSA-N 467.308 5.816 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2C)=C(C#N)[C@H]1c1ccc(C)cc1 20081392 SICLLFBONQGFCF-AREMUKBSSA-N 487.625 5.409 50 40 JKGB COc1cc(/C=N/NC(=O)CCSc2ccccc2)cc(Br)c1OCc1ccccc1 28217885 RWMHLEGCHBXCAK-WGOQTCKBSA-N 499.430 5.669 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccccc1F 33586119 QZAOWMJNXVZSBK-KGENOOAVSA-N 487.531 5.404 50 40 JKGB COc1ccccc1NCC(=O)N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 67197094 RMTBEAKHAGGMSL-KIBLKLHPSA-N 452.725 5.478 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(C)cc1 107836314 WSNBEGQACKDVTI-MXAYSNPKSA-N 484.393 7.563 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccccc1C#N 108157930 BMDKAVAYIDEADN-GRSHGNNSSA-N 463.306 6.112 50 40 JKGB OCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 143856974 QRCWNXLGRHSPPF-MRVPVSSYSA-N 474.145 5.591 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccc2ccccc2c1 408548651 KLPBAVSRDWGIIG-QRVIBDJDSA-N 474.785 7.899 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1cccc(F)c1 408549586 VGMXMBDXXYFEAX-QRVIBDJDSA-N 488.356 7.393 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1ccc(F)cc1 408569532 OMEKHXTZZFRHJX-PXNMLYILSA-N 496.311 6.255 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 408745892 WFTLPFABDIQXJK-BOPFTXTBSA-N 465.307 5.311 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1C 408747131 ZXELOVFIDMINQC-BOPFTXTBSA-N 450.882 5.210 50 40 JKGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)o1 408747242 KZRKRMKLYCDQTI-PTNGSMBKSA-N 451.276 5.261 50 40 JKGB C=CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)cc1 408756031 QNBPWWZIPZFBFE-ZHZULCJRSA-N 476.374 5.967 50 40 JKGB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2cc(C)n(-c3ccc(F)cc3)c2C)c1 408770893 CDFWFPCBMDUXKD-UHFFFAOYSA-N 462.956 6.058 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccc2ccccc2c1 408776848 ZWWGGICDYDYSLT-NHDPSOOVSA-N 479.374 5.621 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)cc1 408788658 FCNAZAVHZWZAJF-YDZHTSKRSA-N 487.386 7.580 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 408816246 JEOOEVJUKRAMDR-XYGWBWBKSA-N 478.548 5.659 50 40 JKGB Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3sc4cc(C)ccc4c3Cl)cc2)c1 408838287 DCZIIDTZTZEAOI-UHFFFAOYSA-N 477.973 5.499 50 40 JKGB COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1OCc1cccc2ccccc12 408890759 YRMNGDVQGOSWKY-MUFRIFMGSA-N 497.576 5.811 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 409194141 OILLKSRYMTUQMW-KQWNVCNZSA-N 474.004 6.292 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)C(=O)Nc1ccc(F)cc1 409378378 OYZLZYXHCIGMPA-LFIBNONCSA-N 467.859 5.181 50 40 JKGB CCCC[C@@H](CC)Cc1cc(/C=C2\C(=O)c3ccccc3C2=C(C#N)C#N)sc1Br 1776010977 NDINSVBBAYQCRJ-NXUSMQHESA-N 479.443 7.350 50 40 JKGB Cc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3C)NC3=C2C(=O)CCC3)cc1 2325307 KKJGUTJTMHLACA-DEOSSOPVSA-N 478.017 5.758 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1OC 3286721 KDKPPVPJUSDQTI-FCDQGJHFSA-N 475.548 6.719 50 40 JKGB N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O 9090512 AAISBRNPEBEAPQ-NTEUORMPSA-N 478.838 5.262 50 40 JKGB CCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccco4)N(c4ccc(CC)cc4)CN3C2)cc1 12250571 FVLZCIZSHVFBOU-SANMLTNESA-N 456.615 6.129 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OCc1ccccc1F 12590116 DLMZZAXFWCCQAS-XDHOZWIPSA-N 461.449 5.176 50 40 JKGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1Cl 12590128 RPEZBOLJECQCCK-LDADJPATSA-N 463.877 5.381 50 40 JKGB O=C(N/N=C/c1cc(Cc2ccccc2Cl)ccc1O)C(O)(c1ccccc1)c1ccccc1 13894913 WHPCYVVLUGHWPU-NDZAJKAJSA-N 470.956 5.023 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)ccc1OC(=O)c1ccccc1Cl 32581094 VRUPCVJPUUQAAJ-UVHMKAGCSA-N 487.339 5.059 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 33416752 FOXSBSYSAXIYRE-MHWRWJLKSA-N 497.885 5.190 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc(Cl)c(Cl)c1 34744952 UOZWZJIKEJXQPB-ODLFYWEKSA-N 478.379 7.220 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1cccc2ccccc12 35253534 QZVRUXJSGDOVFA-OGLMXYFKSA-N 469.497 5.490 50 40 JKGB COc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)ccc1OCCCOc1cccc(C)c1 41120655 SFPKUXLIFGUDQP-LTGZKZEYSA-N 499.592 6.656 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Cl)c1 58916935 HIXIZUOSGOXUQZ-WYMPLXKRSA-N 456.955 5.039 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 59116778 ZYBAOVHIYKXZBT-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OCc1ccccc1Cl 59117315 QOAVFMGGWAQCGS-SFQUDFHCSA-N 487.770 6.780 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1cccc2ccccc12 59334403 MLTXNBOXQUAXQK-ODLFYWEKSA-N 465.347 5.185 50 40 JKGB O=C(N/N=C/c1cc(/N=N/c2ccccc2Cl)ccc1O)c1cccc(Br)c1 101098264 RXNDWXKYAJMKNP-BYGYOCHOSA-N 457.715 5.987 50 40 JKGB CC[C@@H]1CCCCN1C(=O)CS/C(Nc1ccccc1F)=C(\C#N)c1nc2ccccc2s1 102127073 BHBXRKZONOAYDG-GNCLFBLESA-N 480.634 6.264 50 40 JKGB CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Br)c1OCc1ccccc1 408691519 BRQBOGRMQMGICD-MTJSOVHGSA-N 488.385 6.384 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)c1 408746549 ZZOIDQCSAIHDBJ-UNOMPAQXSA-N 481.777 6.536 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(I)cc2)o1)C(=O)Nc1cccc(Cl)c1 408791423 XLZOFENWJXFLAR-GXDHUFHOSA-N 474.685 5.750 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1cccc([N+](=O)[O-])c1 408796435 PBABEUYYJHLIAL-CIAFOILYSA-N 457.486 5.345 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)NCCc2ccccc2)c2ccccc2n1Cc1ccc(Br)cc1 408804457 GGVYIQUKOWOQAG-HAVVHWLPSA-N 498.424 6.026 50 40 JKGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408861332 CEKNIXWCWBBPLX-WYMPLXKRSA-N 453.778 6.539 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2cccc(F)c2)cc1 408876217 KANGWJFIMQVJHL-KGENOOAVSA-N 463.350 6.287 50 40 JKGB Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1 408877130 SXVWVHIMCMRRCR-OEAKJJBVSA-N 459.387 6.511 50 40 JKGB CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccc2ccccc2c1 408891501 RNAXYCFNHXQFSJ-FSJBWODESA-N 476.168 5.527 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccc(F)cc1 408898706 MIDUKNCVKCSINO-LICLKQGHSA-N 481.867 5.521 50 40 JKGB C=CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(OCC)ccc4o3)c2C)cc1 409184420 LBZBWFYNCHSYDV-QRQIAZFYSA-N 457.530 5.568 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)n1 409245006 MBCNHOBBMOYGFG-NSKAYECMSA-N 493.391 5.361 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)[C@@H](O)c1ccccc1 409271125 JYONSIHPWXMVIM-LWVVSQLESA-N 452.341 5.180 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(Cl)cc1 409355409 DBFSNKUAAIOPRM-WQRHYEAKSA-N 459.170 7.399 50 40 JKGB CCOc1cc([C@@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(Cl)cc1 409371031 FHROHDIPYJXEFN-NRFANRHFSA-N 456.011 5.660 50 40 JKGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)n1 409388743 VYBOOYVCURXUFZ-VCHYOVAHSA-N 470.754 5.742 50 40 JKGB CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 1773274 UZKBAZKCECYOFE-HKOYGPOVSA-N 482.536 5.717 50 40 JKGB N#CC1=C(N)Oc2c3c(c4ccccc4c2[C@H]1c1ccsc1)[C@@H](c1ccsc1)C(C#N)=C(N)O3 1819012 LWHKJYHQYRKASM-PMACEKPBSA-N 480.574 5.399 50 40 JKGB CC(C)(C)c1ccc(-c2cc(C(=O)N/N=C/c3ccc4c(c3)OCO4)c3ccccc3n2)cc1 2109911 KMTHYGIYTUZKFR-MUFRIFMGSA-N 451.526 5.692 50 40 JKGB COc1ccc([C@H](Nc2ccc3c(c2)OCO3)P(=O)(c2ccccc2)c2ccccc2)cc1 2163344 AUIHVYIYFHYOMV-HHHXNRCGSA-N 457.466 5.549 50 40 JKGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3)NC3=C2C(=O)CCC3)cc1 2312193 JBBYWSYZZVMFAO-RUZDIDTESA-N 473.598 5.195 50 40 JKGB O=C(CNc1cccc2ccccc12)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21 2325519 FFYGPMUVCUKVJY-BVNFUTIRSA-N 484.559 5.472 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 2334683 GPMSFHKLFMHANB-FYAMCCBRSA-N 453.567 5.368 50 40 JKGB O=C(NNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)Nc1ccc(Cl)c(Cl)c1 3205875 MRNIDAIGVCLUBL-UHFFFAOYSA-N 486.295 6.925 50 40 JKGB Cc1cc(C(=O)NNC(=O)CCN2c3ccccc3Sc3ccccc32)c(C)n1-c1ccccc1 3315045 RDEPHGXOJFAODN-UHFFFAOYSA-N 482.609 5.548 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc(C)c1C 9404103 RVSALDQVZKRMBC-WJDWOHSUSA-N 465.487 5.256 50 40 JKGB COc1cc(/C(C)=N/NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc(OC)c1OC 12561272 FWJOKWOSYPVLDW-JFLMPSFJSA-N 461.543 5.143 50 40 JKGB COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 14134701 XOKGQBODWSCUJV-OAHNOQMOSA-N 493.774 5.418 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1cc(Br)ccc1O 14408660 ZVHDTWUSGNUIMD-WYMPLXKRSA-N 459.727 5.151 50 40 JKGB N#CC1=C(N)OC(C(Cl)(Cl)Cl)=C(c2nc3ccccc3o2)[C@@H]1c1ccc(Cl)cc1 16545256 JYMTYOCWIMVLSH-OAHLLOKOSA-N 467.139 6.070 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccccc2Br)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 20761117 KTKJXNDXGSDMDX-VULFUBBASA-N 491.345 5.433 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl 28216026 FOKDNAVEMIKONU-KBKYJPHKSA-N 480.848 6.438 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1 33597035 IAXYMUQNZNBSAD-KKMKTNMSSA-N 493.774 6.007 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 34982781 NEJMTKUHRWHXPE-KQWNVCNZSA-N 468.534 5.462 50 40 JKGB CCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(C)c3)s2)cc1 100987658 MCALZSHUXCJYAD-JJIBRWJFSA-N 473.642 6.937 50 40 JKGB COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3)N=C3CCCC(O)=C32)ccc1O 104144822 KXACLGNBIQVOGI-DEOSSOPVSA-N 475.570 5.351 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1ccc(C)cc1 107675489 SVROOJPKNWMGSE-ODLFYWEKSA-N 452.323 6.548 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1 216044079 PMNIJDXWUVRPLG-NTFVMDSBSA-N 450.966 5.627 50 40 JKGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)c1 408542004 IWPZGAKLZOCUKJ-WKULSOCRSA-N 480.524 5.152 50 40 JKGB CC[C@H](C)Oc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 408552966 MDYIALOERPFWIH-FSEGOYHTSA-N 469.994 5.884 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1nc2ccc(F)cc2[nH]1 408566162 DSTGGJZKRVGANN-SXGWCWSVSA-N 482.740 6.761 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1OC 408583446 USAKZZSMHWLQSA-KEBDBYFISA-N 479.916 5.707 50 40 JKGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)o1 408753825 KNEQMWVKHYGBNT-DHDCSXOGSA-N 451.276 5.261 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c1C 408788698 FIPVTVBFLAQZOV-VXLYETTFSA-N 469.343 6.874 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccccc1F 408789172 OHNIKBCAGZRKAV-LICLKQGHSA-N 471.315 6.266 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 408794605 JPGMXSMLTUVMKT-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 408815844 SOBDTWNNIUJZMV-KQWNVCNZSA-N 499.973 7.011 50 40 JKGB O=C(N/N=C/c1ccc(OC2CSC2)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 408839992 DZSNGZDNPNDVOX-ZCTHSVRISA-N 499.680 5.399 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccccc1Br 408878569 BZCFBJMLFSWVJB-CPNJWEJPSA-N 495.348 6.112 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)c2C)cc1 408905023 SBUVLUJHMNEKPT-WGARJPEWSA-N 497.393 5.497 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)c(C)c1 409059655 WGWRVXNRFNVTDP-VXLYETTFSA-N 469.343 6.874 50 40 JKGB COc1cc(/C=C(\C#N)c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 409069635 MBPSQZYZUFGWAO-GZTJUZNOSA-N 460.338 5.834 50 40 JKGB C=CCOc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1OCC 409136364 UCADBFVODMCVQR-WYMPLXKRSA-N 453.391 5.340 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccccc1Cl 409141115 MBMHFOAUUSOVGV-XODNFHPESA-N 470.787 6.722 50 40 JKGB CCOC(=O)c1cccc(-c2ccc(/C=C(/C#N)c3ccc(I)cc3)o2)c1 409373461 WJLKFRJDKVRANU-AQTBWJFISA-N 469.278 5.792 50 40 JKGB c1ccc([C@@H]2N=C(c3ccccc3P(c3ccccc3)c3ccccc3)O[C@@H]2c2ccccc2)cc1 1857775590 CWMZMWXTKNWZSZ-AJQTZOPKSA-N 483.551 6.704 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)o1 695005 KANIDQZQWSDZOH-VULFUBBASA-N 455.426 5.527 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c(C)n1-c1ccc(N(C)C)cc1 695022 ZJKFODDILHRJIQ-STBIYBPSSA-N 450.542 5.823 50 40 JKGB CCN(C(=O)c1ccccc1C)[C@@H](c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 1743946 ZAWONOMPQVDMJT-GDLZYMKVSA-N 453.522 6.170 50 40 JKGB O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/C=C/c1ccccc1 1776851 ZZXXGFRJNYJINJ-XJLPLWBLSA-N 461.037 5.391 50 40 JKGB COc1cc2c(cc1OC)[C@@H](COc1cccc(C(F)(F)F)c1)N(C(=O)CCCCl)CC2 2451522 WWDSNAOQWOVXEH-LJQANCHMSA-N 471.903 5.246 50 40 JKGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 3350122 NQGDPSVCXZJPFX-WKULSOCRSA-N 469.928 5.183 50 40 JKGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2cc(C(C)C)ccc2C)cc1 3664202 DXUXOGOLBRSOSZ-OCSSWDANSA-N 466.585 5.809 50 40 JKGB COc1ccccc1OCCOc1ccc(Cl)cc1/C=N/NC(=O)c1cccc(Cl)c1 8842893 RGXBDTRBJFMFCZ-CVKSISIWSA-N 459.329 5.224 50 40 JKGB CCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)cc1 9223323 XGZOYEAQIWWCLE-FXBPSFAMSA-N 493.592 5.284 50 40 JKGB Cc1ccc(/N=N/c2ccc(O)c(/C=N/NC(=O)c3ccc4c(c3)OCCO4)c2)cc1Cl 9934795 AVJYOWFJHSOJDU-ZGQMNJRFSA-N 450.882 5.305 50 40 JKGB Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c1 12859646 KEVZAXVVEPCPPK-UVHMKAGCSA-N 471.340 5.359 50 40 JKGB Clc1ccc(NC2=NCCN=C(Nc3ccc(Cl)c(Cl)c3)SS2)cc1Cl 18251884 IIORDFXEDKPHSV-UHFFFAOYSA-N 466.246 6.931 50 40 JKGB CCCSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1 20010821 QSRLADCWQWXDMJ-NRFANRHFSA-N 458.414 6.471 50 40 JKGB C/C(=N\NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 20158027 BTFSOMIBEGOEOX-KCSSXMTESA-N 495.966 6.370 50 40 JKGB N#C/C(=C\c1cccs1)c1nc(-c2ccccc2)c(NC(=O)c2ccc(Br)cc2)s1 26770291 IAHAYDQJGWMMMA-GHRIWEEISA-N 492.423 6.951 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl 28217269 WOWNZIMIXBKPQF-OPEKNORGSA-N 450.753 5.583 50 40 JKGB Cc1ccc(-n2cccc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1 33685229 DESPORYRUPOUKT-DXJNIWACSA-N 492.579 6.129 50 40 JKGB CN(C)C(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 59334939 AMDAPGGXINVALH-ZSOIEALJSA-N 454.151 5.330 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2F)c1C 107633205 BFVVZRXXXRVKHI-CCVNUDIWSA-N 494.364 5.921 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1C 107945439 KWUKLKVUHVQEOT-UNOMPAQXSA-N 494.378 6.173 50 40 JKGB Cc1cccc(/C=N\NC(=O)c2ccc(-c3ccc(C(=O)N/N=C\c4cccc(C)c4)cc3)cc2)c1 209856839 OTJZWCXLDRTRRQ-CDSIFPFTSA-N 474.564 5.498 50 40 JKGB CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 408538445 MYTPUGQWCCWWSW-HMMYKYKNSA-N 474.523 6.999 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 408569497 OHHOWUOQRLQJHK-LQKURTRISA-N 487.650 5.697 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3cccc4ccccc34)cc2-c2ccc3ccccc3c2)c1 408724962 NHEOXWQCTSLYDT-QNKGDIEWSA-N 480.571 6.918 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1Cl 408726171 QNYZGBWNECQQFT-UNOMPAQXSA-N 467.352 6.517 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(I)c(C)c3)c2C)c1 408746011 QEMKFWDEWFLSBN-DEDYPNTBSA-N 495.364 5.861 50 40 JKGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCc1ccccc1 408764623 SCFBCKXYDNQWGG-WQRHYEAKSA-N 453.325 6.127 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccccc1Cl 408793014 CRYJLXGXGPIRHR-LZYBPNLTSA-N 475.734 6.911 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc(Cl)c1 408803890 ULBWPSXKGFMGIN-VXLYETTFSA-N 467.352 6.435 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1ccc(C)cc1 408811198 KQZDLJZRECONCV-PKAZHMFMSA-N 496.607 5.933 50 40 JKGB O=C(N/N=C/c1ccccc1OC(=O)c1cccc2ccccc12)c1cccc(Br)c1 408888808 BAEPGLQDVLTHBR-JVWAILMASA-N 473.326 5.585 50 40 JKGB CCOc1cc(C)c(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1C(C)C 408956134 YTNCYPOWGMGMBR-RGXNXFOYSA-N 479.624 7.047 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccc(Cl)cc1Cl 409034335 NHJJYIGWCWWOHY-KKMKTNMSSA-N 456.760 6.414 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc(OCc4ccc(Cl)cc4Cl)c3)CC2=O)cc1 409262947 JRAZMZVWQKNRKE-DXJPSDTISA-N 496.394 5.384 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)cc2)cc1OC 409316397 YRWUVGBTKUTZGH-YSMPRRRNSA-N 483.362 5.199 50 40 JKGB COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 409363391 LPTJRIGCINVLCQ-KVSWJAHQSA-N 492.790 5.797 50 40 JKGB Oc1c(SCCCl)c(SCCCl)c(O)c(SCCCl)c1SCCCl 1615369 WFQJIVWXUCGSLV-UHFFFAOYSA-N 488.376 6.421 50 40 JKGB CCOc1ccc([C@@H](NNC(=O)C(O)(c2cccc(C)c2)c2cccc(C)c2)c2cccc(C)c2)cc1 1813942 QFSAWNLPACPVPT-SSEXGKCCSA-N 494.635 5.657 50 40 JKGB COC(=O)C(Cc1ccccc1)(Cc1ccccc1)P(=O)(c1ccccc1)c1ccccc1 2127157 CVLVWBBZYRCXMG-UHFFFAOYSA-N 454.506 5.398 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(F)cccc3Cl)n2C2CCCCC2)cc1 2223275 GNEDEFJFPCWLHJ-MZJWZYIUSA-N 486.016 5.794 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)sc(C)c1C 2448123 JMXFGQVOIVNTBP-LCYFTJDESA-N 478.426 6.949 50 40 JKGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)N1CCCCC1 2701078 GBNHNRNJUDQKAK-XDJHFCHBSA-N 461.363 5.221 50 40 JKGB CC[C@H](Oc1cccc(Br)c1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 2771708 FTDAVKSUAQDTFW-RLWVUDJFSA-N 461.359 6.063 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OCc1cccc2ccccc12 8812561 WJRIAGRVEBCDBV-LQKURTRISA-N 489.369 5.954 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc2ccccc2c1 9056812 OAVQNGVFIUXZOB-HZHRSRAPSA-N 483.365 6.727 50 40 JKGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OCc4ccc(F)cc4)cc2)C(C#N)=C(N)O3)cc1 9308846 HQOOQLJBSOOAHV-VWLOTQADSA-N 496.542 5.802 50 40 JKGB CC(C)c1ccccc1N/C=C(\C#N)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 9315342 RFEKMFBPGODHQG-FOWTUZBSSA-N 458.499 5.925 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1 10476018 CJYLRGDUDGVHRB-OGLMXYFKSA-N 466.965 5.409 50 40 JKGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 11565497 CYXCPUHBMZPGOY-VGOFMYFVSA-N 459.314 5.495 50 40 JKGB O=C(N/N=C\c1cc(Cl)cc(Br)c1O)C1c2ccccc2Oc2ccccc21 12362673 HJOIYVJEDUCMQG-MYKKPKGFSA-N 457.711 5.196 50 40 JKGB CCn1c(SCC(=O)N/N=C(\C)c2cccc3ccccc23)nnc1-c1ccc(C(C)(C)C)cc1 13552750 DOXIQFWUDLOXOS-VUTHCHCSSA-N 485.657 6.048 50 40 JKGB O=C(CCl)N(Cc1ccc(F)cc1)c1ccc(C2c3ccccc3Sc3ccccc32)cc1 13757245 VEBRJONJYVEFTQ-UHFFFAOYSA-N 474.000 7.243 50 40 JKGB CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(C(C)(C)C)c1O 13942500 BNLNWAAOVMYHDQ-OQLLNIDSSA-N 455.942 6.094 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OC(=O)c1cccc2ccccc12 15277319 WCYZQRZZAALKQN-HMMYKYKNSA-N 462.530 6.741 50 40 JKGB Cc1ccc(OCC(=O)N/N=C\c2cc(/N=N/c3cccc(Br)c3)ccc2O)cc1 16157899 ANAXTSAWMTXZCM-LFOKZAPISA-N 467.323 5.408 50 40 JKGB Cc1cc(C)c(OCC(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3)o2)c(Br)c1 20103202 CNQHRGAPTKZSJZ-MYKKPKGFSA-N 461.743 5.508 50 40 JKGB C/C(=N\NC(=O)c1ccc(Br)s1)c1cccc(NC(=O)c2cccc(F)c2)c1 20159046 ILRASSJIXVKZTH-WYMPLXKRSA-N 460.328 5.056 50 40 JKGB N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C\c2ccccc2F)[C@H]1c1ccccc1F 20528804 HFEXFMDVCIDAAN-RJRUJURLSA-N 467.519 5.626 50 40 JKGB C/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 22706226 ANAHUDHQPDHRIZ-WKIKZPBSSA-N 470.312 5.128 50 40 JKGB N#C/C(=C/c1cccc(OCc2cccc(Cl)c2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117485 KVLBODXEDDQDAS-MFOYZWKCSA-N 457.744 6.771 50 40 JKGB Cc1ccc2nc(Sc3ccc(/C=C(/C#N)C(=O)Nc4cccc(Cl)c4Cl)o3)[nH]c2c1 59336611 ANYRWNWUMGSUHG-RAXLEYEMSA-N 469.353 6.468 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSCc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 59473778 NSPYZZRTASFQAF-RWPZCVJISA-N 483.033 6.010 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccccc1Cl 59485151 VSVRTJKVYJETPN-WQRHYEAKSA-N 497.776 6.236 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(O)CCCC3=N2)cc1Cl 104149435 JFJHCZFMAGLCHI-OAQYLSRUSA-N 470.019 6.351 50 40 JKGB O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(Br)ccc1O 104407182 LLYKWJXKALUHKE-UHFFFAOYSA-O 476.330 5.332 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Cl)c1OCc1ccccc1Cl 107752014 MDRLNTRKJXEFQO-ZDLGFXPLSA-N 464.352 6.830 50 40 JKGB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NCCCl)CC[C@]4(C)[C@H]3CC[C@@]21C 118923223 QWMAVRKIDZNMQT-CWCJCEODSA-N 450.195 8.305 50 40 JKGB CCN(CC)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)c2C)cc1 408678037 XEPQFIIZFBBTHD-ZTKZIYFRSA-N 457.622 5.304 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)c(OC)c2)cc1 408743456 FXWOUTIBPDEMNP-HMAPJEAMSA-N 453.498 5.090 50 40 JKGB Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(I)cc4)c3C)[nH]c2cc1C 408786142 FLGQSSQMVVWANH-UNOMPAQXSA-N 492.364 6.256 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2)c(Br)cc1OCc1ccc(F)cc1 408850306 KYSSSQQDNWNEPT-DICXZTSXSA-N 485.353 5.259 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408880085 IXACWUMVMJUWTD-GZTJUZNOSA-N 451.841 5.512 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 408883926 SHBRUOPXZRTJOS-LDADJPATSA-N 451.309 6.067 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Cc2ccccc2Br)c1 408884673 UUAAKBWYFDWNHV-RGVLZGJSSA-N 495.804 6.556 50 40 JKGB Cc1cc(C)cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1 408899531 QCBHZDUVTHYYSX-LPYMAVHISA-N 475.386 6.499 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1cccc(Br)c1 408926028 WTZZTYXWDMJAFZ-ZMOGYAJESA-N 488.179 5.555 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408953416 WGHUZUDLWKPKCH-YVLHZVERSA-N 455.739 6.272 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)O)c(Br)c2)cc1Cl 408982617 ILHOZBAPAFWYRO-QCDXTXTGSA-N 484.133 5.073 50 40 JKGB O=C(N/N=C\c1cc(Br)c(Sc2ccccc2)o1)c1cc2cc(Cl)ccc2o1 409022467 PDZPIBOOPWJKKY-KSEXSDGBSA-N 475.751 6.357 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(Br)cc4)cc3)cc2c1 409187734 UHBBSIBIUPUCQC-DICXZTSXSA-N 493.357 5.937 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1)c1ccccc1 409251907 QYFFXKQMFXBLDP-QWQBBLJPSA-N 461.359 5.812 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1OC 409317262 TZDRTASMBBBKDX-MBTHVWNTSA-N 496.947 5.179 50 40 JKGB Cc1c(CCCl)c(Sc2nnc(-c3ccccc3)n2C)n2c(nc3ccccc32)c1C#N 642433 WOCOEBUCACILTJ-UHFFFAOYSA-N 458.978 5.396 50 40 JKGB COC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2C)=C(C#N)[C@H]1c1ccccc1Cl 1250416 AUWBKBAXTFMCHE-HSZRJFAPSA-N 482.005 5.198 50 40 JKGB Cc1ccccc1C[C@@H]1S/C(=C(\C#N)C(=O)Nc2ccc(F)cc2)N(c2ccc(F)cc2)C1=O 2201921 GUIRNMQZTWFQSW-GPSDDGMOSA-N 475.520 5.338 50 40 JKGB N#C/C(C(=O)c1ccccc1)=C1/S[C@@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2348991 CHLRUSZPGBCUEZ-JSIHEXFSSA-N 489.394 5.758 50 40 JKGB COc1ccc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)cc1Br 3091756 BPQLSAZYKGYZDE-FSJBWODESA-N 476.168 5.066 50 40 JKGB O=C(N[C@@H](C(Cl)(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1Cl 3109617 KPPADFDZHWPDEU-HXUWFJFHSA-N 487.150 5.780 50 40 JKGB O=C(O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1F)N2 6445662 OCDBIIVGALZXKN-ZHYCKYNOSA-N 498.963 6.471 50 40 JKGB CC/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccccc1 9191268 AIGJVCIBGAENSK-HPNDGRJYSA-N 476.005 5.610 50 40 JKGB C/C(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)=N\NC(=O)c1cc2ccccc2cc1O 13151652 NLBYKFPTYDZELL-KVSWJAHQSA-N 463.843 5.352 50 40 JKGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1OC 13425258 LZHLCGIROQXAMV-MHWRWJLKSA-N 486.911 5.068 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccc(Cl)c(Cl)c1 13583677 HPIHSBBEQVWMAH-UUYOSTAYSA-N 483.471 5.770 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)ccc1OCc1ccccc1Cl 14358027 VRPPXCKCQBZIOH-XSFVSMFZSA-N 469.928 6.021 50 40 JKGB Clc1cccc(NC2=NCCN=C(Nc3cccc(Cl)c3Cl)SS2)c1Cl 18251882 ZKCMPJWHMBJRSN-UHFFFAOYSA-N 466.246 6.931 50 40 JKGB CCCC[C@@H](Br)C(=O)Nc1nc2c(Br)cc(Br)cc2s1 20132902 RRCYUJKXWLTFIX-MRVPVSSYSA-N 485.039 5.714 50 40 JKGB O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(F)cc1)c1ccccc1Br 20760655 RJBRFHPXLCNXQB-BRJLIKDPSA-N 461.718 5.585 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2cc(C)ccc2C)nc2ccccc12)c1cccc(NS(C)(=O)=O)c1 22744523 ASFAYBONTWBFLM-CEUNXORHSA-N 486.597 5.044 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1 28216079 FNBCBOVVTLSLGX-BRJLIKDPSA-N 490.854 5.894 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1ccccc1F 28216968 HFNOBAFTEZQUBQ-OCSSWDANSA-N 471.601 6.431 50 40 JKGB CCOc1ccc(C2=C(/C=N\NC(=O)c3ccncc3)[C@H](c3ccccc3)c3ccccc3O2)cc1 33396514 NSVBXTYEBOXCGQ-SGKMTROSSA-N 475.548 5.832 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 33653485 OPHGHPOGGFJCFP-HAHDFKILSA-N 494.551 6.550 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1O[C@H](C)CC 33702352 GNDVZIMVDCHFBM-DISPHTKASA-N 454.368 6.274 50 40 JKGB CC(C)c1ccc(C(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(CC(C)(C)CC3=O)N2)cc1 35193662 QQPQDGJPNMPJFZ-DEOSSOPVSA-N 476.667 6.553 50 40 JKGB CCOc1ccc(NC(=O)C(=O)N/N=C2\CC[C@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]23C)cc1 71785138 MNXVBXWQINRGGF-VSXLCSLVSA-N 489.616 5.061 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1cccc(C)c1 107941768 CEHCIOLYMGFZAY-VULFUBBASA-N 475.526 5.469 50 40 JKGB CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\Nc1ccc(SC#N)cc1C 408536610 WVFGTNHAHQNSNZ-QQXSKIMKSA-N 482.653 6.755 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC 408536621 AEMCUXJCIMKJJZ-SFQUDFHCSA-N 491.813 6.616 50 40 JKGB CC(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 408731392 KDYQXWUREDRPEB-PKAZHMFMSA-N 458.359 6.044 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1 408744696 MPYBQWPUPTXBOS-UNOMPAQXSA-N 492.329 5.790 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)cc1 408755949 WYWVUHSHNQFFHX-MOSHPQCFSA-N 492.373 5.579 50 40 JKGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)c1cccc2ccccc12 408756160 UIVAGAPNXRNXBV-VUTHCHCSSA-N 480.545 5.525 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)c1cccc(Cl)c1 408786126 MQWGNWDFCVLKIA-NVNXTCNLSA-N 479.241 7.777 50 40 JKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2Cl)c1 408790402 VYXKQIDDHCYUGH-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 408796517 OZYVNQXXRFELGY-RGVLZGJSSA-N 464.924 6.175 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1cccc(Cl)c1 408802106 DAJNGJKPWAUWBJ-KEBDBYFISA-N 481.379 6.744 50 40 JKGB CCc1ccccc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(=O)(=O)c1ccc(C)cc1 408861784 DCSQMFKJPLLKQA-UHFFFAOYSA-N 483.678 5.461 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1OCc1cccc([N+](=O)[O-])c1 408882013 OQXKCDAWPBIBCM-KGENOOAVSA-N 457.486 5.290 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c(C)n1-c1ccccc1 408921565 BDEMOTZISPINIR-CXUHLZMHSA-N 455.301 5.855 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)cc1 409041924 KZXFYBNFCLMFFR-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)NC1CCCC1 409191440 HNXYLTYFCFBLGX-MFOYZWKCSA-N 459.329 5.236 50 40 JKGB Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)NCCCc3ccccc3)cc2Br)c1 409221103 KYKFAABTQBAPCC-JLPGSUDCSA-N 489.413 5.993 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 409230407 DDASNGKWQZFRFP-MUXKCCDJSA-N 475.347 5.803 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccccc1 409254430 XECUUERGWXVCCD-JJWXFRNXSA-N 466.968 6.857 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1OCC 409314303 SHDJIKOKZYUZFJ-RHANQZHGSA-N 480.536 5.365 50 40 JKGB COc1cc(C(=O)N/N=C\c2cccc(OCc3ccc(F)cc3)c2)ccc1OCc1ccccc1 409326074 GJSSQNBVRZBNDW-MNBJERMJSA-N 484.527 5.756 50 40 JKGB COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1OC 409336276 RIFWBAASAZFEGQ-PPDIBHTLSA-N 477.319 5.493 50 40 JKGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1Br 409337502 VSEJZGMHTNNPKY-MSXFZWOLSA-N 475.726 5.023 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2C)cc1Br 409368299 RMGRHTUOWJZUGO-OPEKNORGSA-N 479.205 6.236 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 939461 DZXVOUVPNYWPLM-MHWRWJLKSA-N 454.349 5.051 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)Nc1ccc(Br)cc1 1083006 MBFZHZIUZOXEDA-CPNJWEJPSA-N 477.314 5.272 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc2c(c1)OCO2 1101017 UAWDXCLJANFPEF-CXUHLZMHSA-N 454.313 5.675 50 40 JKGB CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 1767349 KSGPEUQHRCZRBD-DEDYPNTBSA-N 466.006 6.502 50 40 JKGB CCOc1ccc(C(O)(C(=O)NN=C(c2ccccc2)c2ccccc2)c2ccc(OCC)cc2)cc1 2270889 XLEUVZBGIWZBDO-UHFFFAOYSA-N 494.591 5.289 50 40 JKGB Cc1c(-c2ccc(/C=N/NC(=O)c3ccccc3NC(=O)c3ccc(F)cc3)o2)cccc1[N+](=O)[O-] 2326677 LTXHOYRHYVHKTD-RWPZCVJISA-N 486.459 5.319 50 40 JKGB Cc1ccc(P(CP(c2ccc(C)c(C)c2)c2ccc(C)c(C)c2)c2ccc(C)c(C)c2)cc1C 2381441 WRANDSGJMDSTBS-UHFFFAOYSA-N 496.615 7.677 50 40 JKGB Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 2422758 CPRQTXPMMXTATF-YDYXIROLSA-N 475.520 5.338 50 40 JKGB Cc1cccc(/C(C#N)=C/c2c(-c3ccc(Cl)cc3Cl)nc3sc4c(n23)CCCC4)c1 8782138 OUADHQMHFFPBQS-SFQUDFHCSA-N 464.421 7.621 50 40 JKGB CC(C)(C)c1ccc(OCCCOc2ccc(Cl)cc2/C=N/NC(=O)Nc2ccccc2)cc1 8875005 ZJEVFAKSMHERSD-VUTHCHCSSA-N 480.008 6.641 50 40 JKGB N#C/C(=C\c1ccc(OCCCOc2ccc(Cl)cc2)c(Cl)c1)C(=O)NCc1ccco1 9762836 IMUYQTZUXJYYIG-QGOAFFKASA-N 471.340 5.658 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1nc2ncc(Br)cc2[nH]1 9763594 VLNRUPLOXPWHHW-KPKJPENVSA-N 470.124 5.807 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc(Cl)cc1 12463887 UPLNCTIDMUKRLA-HMAPJEAMSA-N 463.053 5.425 50 40 JKGB N#CC(C(=O)CSc1nc2ccccc2n1CCc1ccccc1)=C1Nc2ccccc2N1 12661020 YULATNMORBAKDT-UHFFFAOYSA-N 451.555 5.213 50 40 JKGB CC(=O)Nc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)cc1 16268418 BYKPSZJJNSVVRK-UYRXBGFRSA-N 477.362 5.361 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 19877240 TXJYATBDTFGWCC-LICLKQGHSA-N 471.315 6.266 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)c1 33671756 DHEPUZUMTCQNSF-UYRXBGFRSA-N 489.597 5.677 50 40 JKGB COc1cc(/C=N\NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc(Br)c1OC 33921969 UBZDBKMVJINONP-WQBHTFFHSA-N 459.384 5.018 50 40 JKGB CC(C)OC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 40476980 ZYPWFNXSYIHWAW-RVDMUPIBSA-N 458.370 6.659 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(Cl)c(Cl)c1 59445202 IIPNKGTYFNQZDD-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cccc2ccccc12 59534958 GEICUXBUTVUBRC-XQNSMLJCSA-N 466.512 6.502 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc2ccccc2c1 59676802 QBYSDFNZZNQUEN-DIBXZPPDSA-N 460.581 5.503 50 40 JKGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCC)c2)cc1 83301393 YJXXBPOMBLIOHA-CSLYNHGHSA-N 476.573 5.027 50 40 JKGB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(N(CCCl)CCCl)cc1 97968539 XUUKBNSAUFVPMU-PDGQHHTCSA-N 480.779 5.128 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccccc1O 100889170 JBUGZLMFLXCZGD-CEUNXORHSA-N 499.640 5.570 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 108970218 OZTIXQOEMFJGHL-KQWNVCNZSA-N 497.982 6.578 50 40 JKGB C[Si](C)(C)O[C@@](CC(=O)c1ccc(Cl)cc1)(c1nc2ccccc2s1)C(F)(F)F 195568271 YKRUPYCQNYQAKP-IBGZPJMESA-N 457.977 6.832 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(I)c1OCC 408598625 GJIRUYQTMBPRHT-NVNXTCNLSA-N 453.707 5.806 50 40 JKGB O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1)c1ccc(Br)cc1 408757962 FANVWMQIZQZSKV-WPWMEQJKSA-N 488.341 5.223 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1cccc(Cl)c1 408802662 FWDAKDJAPWPWIZ-VXLYETTFSA-N 467.352 6.435 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1 408806230 BHAYLOYIMICPKC-LDADJPATSA-N 467.750 6.227 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OCc2cccc3ccccc23)c1 408813759 REOXVBUMHPEABT-PCLIKHOPSA-N 462.549 6.590 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1C 408816277 RKELUBWRECWHAQ-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 408820014 UQVVAZLWQHZAAI-HKWRFOASSA-N 472.614 5.282 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c(OC)cc1Cl 408820913 AKDXDBIWDVJFMD-WOJGMQOQSA-N 493.903 5.390 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)cc(Cl)c4O)cc3)cs2)cc1 408841687 GSKUBFXIHMLCBJ-KKMKTNMSSA-N 497.407 6.638 50 40 JKGB C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2cccc(Cl)c2)c1 408862672 IIDLZMUDILEONV-UVHMKAGCSA-N 460.748 6.053 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1Cc1cc(C)cc(C)c1 408879785 FMKVUMVLEALLKQ-LPYMAVHISA-N 475.386 6.211 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3Cl)c2)cc1 408879869 HOWQDIKPCPTBAT-KGENOOAVSA-N 460.917 5.641 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2cccc(F)c2)c1)C(=O)Nc1cc(Cl)ccc1Cl 408882386 OXRAPCYDGFLJRV-CXUHLZMHSA-N 455.272 5.897 50 40 JKGB Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)cc2)cc1 408884451 XFDQUFOIDXUIER-LICLKQGHSA-N 496.306 5.975 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1Cc1ccccc1F 408885430 ZSXCLSZOPAOOPM-WOJGMQOQSA-N 497.339 6.262 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)cc2Cl)c1 408886355 KFYBAHJBJXLWTH-UDWIEESQSA-N 495.804 6.844 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1C 408891463 QXHKBCKFZKPKRQ-CIAFOILYSA-N 491.385 6.199 50 40 JKGB Cc1ccnc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c1 408944488 MQYROJXTBFJDNH-UCMJSZAQSA-N 487.607 6.328 50 40 JKGB COc1cccc2cc(C(=O)N/N=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)oc12 408970000 YKSFVTJVWVUHRH-VFLNYLIXSA-N 492.362 6.515 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc3ccccc3c2)cc1Cl 408988128 GYYSHNYBPLSTGB-IWIPYMOSSA-N 452.941 6.926 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(OCC)c1OCc1ccccc1 409022117 FEMPCJQERTYKDX-LQNQUEJISA-N 488.971 6.556 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1)c1nc2ccccc2[nH]1 409057119 PCLHGKMMYOJVBY-LZYBPNLTSA-N 454.744 7.166 50 40 JKGB Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1Cl 409250429 LOJCPGMVHSPZRB-RGVLZGJSSA-N 494.378 5.543 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 409253169 DYBNQZJMOMZQKT-FUSDPXDGSA-N 482.367 5.076 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)c1C 409256415 LAKBEUOMZRJQKP-XKZIYDEJSA-N 487.987 6.137 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1cc(C)ccc1C 409265572 VQRKSBZQZYEILV-BUVRLJJBSA-N 497.595 5.882 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1OCC(=O)Nc1ccc(C)cc1 873369 CMOCPZYNWDXUIT-NDEPHWFRSA-N 491.547 5.393 50 40 JKGB Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2C)ccc1I 1190347 OPERDBZUUPQJOV-LDADJPATSA-N 499.327 5.692 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cn(CCC#N)c3ccccc23)sc2c1CC[C@@H](C)C2 1803660 LQBRVHKIPCXOEJ-SOGDLCAJSA-N 486.597 5.464 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccccc1 1914978 QYQNGGFXWWZSHW-CVKSISIWSA-N 477.611 5.516 50 40 JKGB Cc1cccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1 2060082 SFYMXVMUPDXKPN-PTNGSMBKSA-N 464.344 5.964 50 40 JKGB N#CC1=C(SCC(=O)Nc2nccs2)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1Cl 2341353 RMKVRTPPAVUKDX-QGZVFWFLSA-N 491.425 5.251 50 40 JKGB CCOc1ccccc1/C=N\NC(=O)CCCCCCCCC(=O)N/N=C\c1ccccc1OCC 4706434 OBEUQTFKGNUOBJ-DHQAUHHZSA-N 494.636 5.205 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@@H]1c1cccc(Cl)c1Cl 8410325 PDQLFODVBLTQOL-CQSZACIVSA-N 452.128 5.908 50 40 JKGB COc1ccc(/C=N/NC(=O)[C@@H](C)Nc2ccc3ccccc3c2)cc1OCc1ccc([N+](=O)[O-])cc1 8780824 VWUXVOZAYKBRLG-HRJIBFCWSA-N 498.539 5.286 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2C#N)cc1 9310806 KEUCNRKGEVDSLA-XKZIYDEJSA-N 486.369 6.008 50 40 JKGB CCOc1cc2c(cc1Br)nc1n2[C@H](c2ccccc2)[C@H](Br)CS1 9806169 QXCJGZTYLWTZSR-CXAGYDPISA-N 468.214 5.656 50 40 JKGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 16758925 AEBHOASBASKCHA-CIJMEZBMSA-N 491.794 5.092 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 20837243 FMTXWASORGYXTQ-KPKJPENVSA-N 470.150 5.709 50 40 JKGB CCOc1cc(/C=N/NC(=O)C(C)(C)Oc2ccc(Cl)c(C)c2)cc(Br)c1OCC 22758478 BGNGNISXMNCKTI-DHRITJCHSA-N 497.817 5.516 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(OC)c1 33468466 CLSUPPVDMJSDPM-FJEPWZHXSA-N 492.934 5.992 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 33597918 AKHJALUTQAQDBL-OKCVXOCRSA-N 467.956 6.269 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl 33870997 VNQSQSGMMYWMDC-VYYCAZPPSA-N 487.339 5.384 50 40 JKGB N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1c(F)cccc1Cl 38680191 XCKFBMXVIDIDSP-HXUWFJFHSA-N 499.723 5.679 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1ccccc1Cl 58913322 LUQMGKLKCXABLD-IPBVOBEMSA-N 497.304 5.509 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccccc1Cl 59245212 UJWCGTPMEMZPRQ-WOJGMQOQSA-N 471.771 7.080 50 40 JKGB CCCCCCCCCC[C@H](Br)C(=O)c1cc(C)cc(Br)c1OC(C)=O 100931365 RWBKJUKBQSIVQY-SFHVURJKSA-N 490.276 7.160 50 40 JKGB CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 107649699 PFFIITRFZGGOAR-AISSWFOISA-N 453.753 6.378 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)COc3ccc(Br)cc3)cc21 223477126 VDTPJNUPFNNOAX-VULFUBBASA-N 470.411 5.389 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(CCCC)cc2)cc1OCC 408539296 GPHPPTVWDKNZHO-USHMODERSA-N 459.030 6.804 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(C(=O)O)c1 408545177 ZPEMJOSZLQYCGL-ZDLGFXPLSA-N 467.308 5.816 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)c1C 408554022 YHWMAWXVDGVOFD-ODLFYWEKSA-N 494.378 6.173 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1nc2ccc(F)cc2[nH]1 408567878 PZFOIJTWUYAQTO-PXNMLYILSA-N 493.292 6.016 50 40 JKGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c1C 408612499 VQNIYSGYJAPHCE-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB CC(C)C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl 408718201 AKUYCTQDHKSBPJ-LSFURLLWSA-N 458.139 5.081 50 40 JKGB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)N/N=C\c1cccc(Oc2ccccc2)c1 408725789 HUIQOAFSWMSADR-BRPDVVIDSA-N 499.592 5.209 50 40 JKGB Cc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(C2CCCCC2)cc1 408757168 VFEBPBYKLFYQIA-LUJVFJMUSA-N 457.618 6.106 50 40 JKGB N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)c1cccc(C(F)(F)F)c1 408775667 IVXPSQHYOVTRJF-RGEXLXHISA-N 482.958 8.170 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(C(=O)O)cc1 408790632 QISQKRMTWJYQQU-LPYMAVHISA-N 456.498 5.135 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Br 408792053 HCOXJYXZUJIOCC-OVCLIPMQSA-N 478.184 5.773 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1 408792229 JTGORAFROKQHMO-XDHOZWIPSA-N 467.352 6.517 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1 408792751 CJBKDQBSUKLPHB-PCLIKHOPSA-N 462.505 5.751 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1 408807208 KQQJKXQLUQMRBL-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)Nc2ccccc2)c1Cl 408811320 BKUWQWJLXVDFPU-WYMPLXKRSA-N 461.305 5.662 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc([N+](=O)[O-])c2)c(C)c1 408811509 RDUYYFLYEPFHJY-UDWIEESQSA-N 461.905 5.990 50 40 JKGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(Br)c1 408814345 ZCKFUUKTWLRGTN-CUMSKTGSSA-N 478.390 5.502 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OC 408831335 PFSDNYDYQPVXHU-XSFVSMFZSA-N 462.933 5.872 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 408839115 NFJRTWBWYQYLAL-KBKYJPHKSA-N 481.166 6.316 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12 408849744 YHEZMSQBJZPRGT-UUYOSTAYSA-N 499.954 5.364 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1Cc1cc(C)cc(C)c1 408873642 UJENCZJPNUTXMV-UFFVCSGVSA-N 479.407 7.064 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1 408889052 BEICEZCENNHYPO-VCHYOVAHSA-N 469.413 5.021 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl 408922717 GEEOSASSNJHKMG-XSFVSMFZSA-N 473.359 7.271 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F 408926902 YZZYHRMGFRWZTJ-GHRIWEEISA-N 470.834 6.124 50 40 JKGB Cc1cc(/C=N\NC(=O)c2ccccc2-n2cccc2)c(C)n1-c1sc2c(c1C#N)CCCC2 408994072 FMRAZJFRQYMCHT-RHANQZHGSA-N 467.598 5.461 50 40 JKGB O=C(O)c1cc(-c2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)ccc1Cl 409037150 XRFIQAJOSHHRCF-OKCVXOCRSA-N 495.922 6.277 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccc(Cl)cc1Cl 409091687 TUPOJGMPVHWAOV-DEOSSOPVSA-N 497.334 5.528 50 40 JKGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 409140325 RHXXWZSSMPIGNX-VBYICHLGSA-N 470.436 5.796 50 40 JKGB C=CCc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OC)c1OCc1ccc(C)cc1 409199716 CVYVVZUGSTVBJD-MUFRIFMGSA-N 495.044 6.207 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OCc1ccccc1 409234175 MXTOLCHFJZQEGP-ZDLGFXPLSA-N 497.429 5.747 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409359924 CLXLNCNWXRFVTN-KKMKTNMSSA-N 477.775 6.307 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409389001 ADWZQPJUAMITIC-OCKHKDLRSA-N 452.869 6.429 50 40 JKGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(SCC(=O)Nc2ccccc2)o1 2185031 SICQFUACEHVZDY-WYMPLXKRSA-N 474.007 5.047 50 40 JKGB N#CC1=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)NC2=C(C(=O)CCC2)[C@H]1c1ccco1 2239573 NMJLSUKGGKIYOT-HXUWFJFHSA-N 474.369 5.387 50 40 JKGB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1 2279742 NHGWZMKCBUQKMH-XMHGGMMESA-N 475.570 5.212 50 40 JKGB N#CC(C#N)=C/C=C(\Sc1c(Cl)c(Cl)nc(Cl)c1Cl)c1ccc(Cl)cc1 2573052 TYZHBWNPQLKSTI-SDQBBNPISA-N 461.588 7.455 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1OCc1cccc(C(=O)O)c1 9323024 HTTUVBNETFFARB-UDWIEESQSA-N 476.916 5.480 50 40 JKGB N#CC(C(=O)CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1)=C1Nc2ccccc2N1 12678658 AZVOSIBQYIAJQR-UHFFFAOYSA-N 483.597 5.221 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12 13595759 SKWTWDDVFVXIQT-MZJWZYIUSA-N 480.793 5.798 50 40 JKGB Cc1cc(Cl)ccc1NCc1nnc(SCC(=O)NN=C2CCCCC2)n1-c1ccccc1 13882015 MFCCHVGPZBUBPX-UHFFFAOYSA-N 483.041 5.370 50 40 JKGB Cc1ccccc1CN1c2ccccc2C2=C([C@@H](c3cccc(Cl)c3)C(C#N)=C(N)O2)S1(=O)=O 20558701 QQSGBCTUJOUTDZ-QHCPKHFHSA-N 489.984 5.175 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCC(=O)Nc1ccccc1Cl 23217293 IWHOZJBBJXGKJV-ALDSOSFCSA-N 489.959 5.150 50 40 JKGB O=C(CCCC(=O)N/N=C\c1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(-c2ccccc2)cc1 31670081 KKBJEKRLMYFNHC-DHZXOOEVSA-N 488.591 5.791 50 40 JKGB CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1sc2c(c1C#N)CCCC2 33760634 SNGLFDZSDIYNQX-NTEUORMPSA-N 456.365 5.205 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 35151684 KQJBYBKBQJSQHR-WKULSOCRSA-N 479.363 6.498 50 40 JKGB Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1cccc(Cl)c1 38196199 NZTNBAGDIUTIRW-MIXAMLLLSA-N 457.961 5.134 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1C 59254468 AHFCWGAVBSOUIE-UDWIEESQSA-N 479.349 6.330 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 59266408 KCRFGXTUJYJWAB-ZHZULCJRSA-N 462.933 5.872 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccccc1Cl 59334663 CDRDFTGVMQHASJ-SXGWCWSVSA-N 463.759 5.075 50 40 JKGB CCOc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OCC 59473023 UVJKKQOENXNCGA-JVWAILMASA-N 469.006 6.194 50 40 JKGB O=C1C(Cl)=CC(=NN=P(c2ccccc2)(c2ccccc2)N2CCCCC2)C=C1Cl 102156371 MSZDMTSLMMUUED-UHFFFAOYSA-N 458.329 5.424 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)Sc1nc2ccccc2s1 108031067 WWSAVXCLGBXBFT-DEDYPNTBSA-N 479.424 7.295 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c(C#N)c1C 408545954 ALSXVBSLGBRYOH-YBFXNURJSA-N 475.545 5.370 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(Cl)c2)cc1 408789631 QNNAPAPFQGNRLO-ZVHZXABRSA-N 496.950 6.404 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1O 408840162 YBTQPWCHGOADSW-VULFUBBASA-N 458.543 5.340 50 40 JKGB CC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)cc1 408856738 KWVALBBVTJHINH-RGXNXFOYSA-N 487.559 6.679 50 40 JKGB N#C/C(=C\c1ccc(Cc2cccc(F)c2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408865255 CHCILRLWNBKKFM-NLRVBDNBSA-N 462.524 6.541 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1Cc1ccccc1Br 408869955 RIHJVEANQRCCAA-XDHOZWIPSA-N 463.331 5.300 50 40 JKGB COc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1OCc1ccc(Br)cc1 408875700 LIRLLCOXDIAYAY-WGOQTCKBSA-N 467.363 5.120 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1Cc1cc(C)cc(C)c1 408876426 OYMMYXGLCAIPIB-YDZHTSKRSA-N 458.989 6.800 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1Cc1cccc(F)c1 408878141 WWDXHMQOVQVPHV-VXLYETTFSA-N 479.349 6.042 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1 408881611 LIWZADNMJBBLHU-OQKWZONESA-N 466.512 6.502 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 408886981 KQMLCTSZNNDQNC-XDHOZWIPSA-N 496.972 5.279 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1ccc(Cl)cc1 408890509 UWWFQUOJYMYXSA-KBKYJPHKSA-N 468.167 6.643 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)c(C)n1-c1ccc(F)cc1 408921762 BVHIAJXNMQAMTD-SFQUDFHCSA-N 485.300 5.384 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1OCc1ccc(Cl)cc1Cl 408925016 RPDZVNCBGUHKSB-WKULSOCRSA-N 479.363 6.498 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408934288 DNPRVTZWAQJQJV-UQQQWYQISA-N 494.978 7.044 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1O[C@@H](C)CC 409037161 SHNRKWNICLMCKA-SZTWAWJZSA-N 467.569 6.242 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Cl)c1 409256430 OPLBLZGHGDZTRE-UDWIEESQSA-N 461.905 5.947 50 40 JKGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3Cl)=C2C#N)cc1Cl 409310115 QOEQDRZJUYSMMZ-GFCCVEGCSA-N 496.803 5.366 50 40 JKGB COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 409359244 APJYYQPQVPEERW-OKCVXOCRSA-N 473.960 5.643 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 409390002 DDJPZXLAZGGJBS-ZDLGFXPLSA-N 453.267 6.140 50 40 JKGB O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 2174556 IOJGKWLUQHQVKZ-SSDVNMTOSA-N 474.336 5.001 50 40 JKGB N#CC1=C(N)OC2=C([C@H]1c1ccccc1Cl)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12 20558473 RHOVMSYQFSNQQL-QFIPXVFZSA-N 493.947 5.006 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccc2ccccc2c1 33806932 PRPJNHBVIRAYOF-HAHDFKILSA-N 453.372 8.214 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(Br)ccc3OCc3ccccc3C#N)[nH]c2c1 34807998 XWJXIFWZUNRMDD-JAIQZWGSSA-N 469.342 6.149 50 40 JKGB COc1cc(/C=N\NC(=O)Nc2ccccc2)ccc1Oc1c(F)c(F)c(F)c(F)c1F 34903197 UTYFYLHABQRQJA-NCAUGAEKSA-N 451.351 5.339 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(\C#N)Sc2nc3ccccc3s2)c1C 35087006 DIYUCJZZIJVYDS-WOJGMQOQSA-N 462.556 6.277 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(F)cc1 59224914 BYCXCIBCEGDUBA-WOJGMQOQSA-N 495.894 5.911 50 40 JKGB CC(/C=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)=C\c1ccco1 100853073 TVJHILWMAGXKJL-AALPXBCWSA-N 465.025 5.374 50 40 JKGB CCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 100879095 YZGUNJXSOKVMID-CJLVFECKSA-N 477.605 6.768 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl 106421521 ONOLCSYYJMVSNT-PDGQHHTCSA-N 479.835 7.932 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 408538959 RZYSLUZXMPYWSG-ZHZULCJRSA-N 499.995 6.932 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c2ccccc2n1Cc1ccccc1Cl 408542728 NPPMITJOXBVZRF-ZHZULCJRSA-N 469.928 5.895 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1F 408582958 PYZLLUQKCRPXHC-UDWIEESQSA-N 482.349 6.639 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1ccc(N2CCCC2)cc1 408676310 HLDAGUPXZWWYRM-WPWMEQJKSA-N 478.390 5.392 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(O)cc1 408796807 PZQXKEMKSPQLQD-CXUHLZMHSA-N 473.743 6.477 50 40 JKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(OC)c(Br)c1 408804577 YMHLLYJUIHMCJE-NTUHNPAUSA-N 480.156 5.083 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cccc([N+](=O)[O-])c4)cc3)cs2)cc1 408840908 DBTALGWPYLZNKR-AFUMVMLFSA-N 457.515 5.534 50 40 JKGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1 408844836 WUFSPJVQCHFEFN-MUFRIFMGSA-N 488.609 5.360 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1sc2c(c1C#N)CCCC2 408849529 WWJFXKZATSUICZ-BOPFTXTBSA-N 495.435 6.759 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1cccc(Cl)c1 408887377 QHNCUBFLMRTZIZ-OGLMXYFKSA-N 459.933 5.482 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCc1c(Cl)cccc1Cl 408890636 WVEKDIHHTZIZAQ-MHWRWJLKSA-N 487.770 6.780 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2C)c(C)c1 408982463 HCFJQGGYZBPOSU-BKUYFWCQSA-N 461.949 5.697 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc2ccccc2c1 408983133 KUPMVBKDTMRGRK-ZVHZXABRSA-N 482.967 6.935 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 409049464 WZANBJXLSYYFPP-LICLKQGHSA-N 496.350 5.565 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409261444 BYIMOVAYYQEGSR-MOSHPQCFSA-N 489.959 5.529 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc2ccccc12 409321508 IBBZAMONNWCCQO-STZFKDTASA-N 474.785 7.899 50 40 JKGB C[C@H](CCC(=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 2049238462 XNTZTQJAAZNSGD-KVRZFADJSA-N 453.461 6.089 50 40 JKGB Cc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccccc1Br 650560 DZXKTPFLYBKHPJ-HXUWFJFHSA-N 471.376 5.213 50 40 JKGB COC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)sc(C(C)=O)c1C 2208250 VCIYFIMPQZUETL-GDNBJRDFSA-N 453.545 5.154 50 40 JKGB CN1/C(=C\C=N\NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C(C)(C)c2ccccc21 6016547 XJJMHVXNAMEFIH-IRATYPCMSA-N 481.625 5.882 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCCOc3ccc(C)cc3)c(OC)c2)cc1OC 9762154 SPTFVFHUNRAXBU-FYJGNVAPSA-N 479.960 6.196 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C#N)C(n1cccc1)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2 12402350 ABDPEFBRGDCTDF-MHZLTWQESA-N 488.547 5.728 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)ccc1OC(C)C 17307200 VQYMWIBFESSYPR-YBFXNURJSA-N 450.560 6.077 50 40 JKGB C/C(=N\NC(=O)c1cccc2ccccc12)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 20159201 IAOAWKCYDCEYHE-JJKQSNDFSA-N 499.386 5.765 50 40 JKGB Cc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl 28217036 PLSLVVVFZWEKCT-LGJNPRDNSA-N 480.848 6.687 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 30822079 JXQLOIZNZVLBBT-ZRGSRPPYSA-N 461.276 5.124 50 40 JKGB COc1cc(/C=C/C(=O)Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 62715660 AMNBWBOUVBSQDQ-HWKANZROSA-N 450.543 6.122 50 40 JKGB Clc1cc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c(-c2ccccc2)nn1 95749432 DLKOCLIERFBGDL-UHFFFAOYSA-N 465.924 6.606 50 40 JKGB Cc1ccc(F)c(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1 100843697 JSRDAJHDYNKCMS-GXDHUFHOSA-N 482.334 6.103 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl 408540334 QHTCLQLXJYMOGC-MYYYXRDXSA-N 466.365 6.405 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2F)c(Br)c1)c1nc2ccc(F)cc2[nH]1 408568756 WVRRCRRNOQQYSV-SXGWCWSVSA-N 466.285 6.247 50 40 JKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2cc(Br)ccc2O)c1C 408588251 IPVCYQIRKCBYOF-BHGWPJFGSA-N 460.759 5.288 50 40 JKGB COc1cc(OC)c(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc1Br 408740066 IFDHXAVZIIQKFN-BRJLIKDPSA-N 490.785 5.291 50 40 JKGB N#C/C(=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1 408743493 APWUGORWOLRTRR-AQTBWJFISA-N 456.889 5.797 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1 408789705 RKVRXEYSTDXSMO-VCHYOVAHSA-N 463.877 5.381 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Cl)c2)cc1C 408801675 WVIDINSGBIVDBQ-BUVRLJJBSA-N 480.995 7.543 50 40 JKGB N#C/C(=C\c1c(OCc2cccc(Cl)c2)ccc2ccccc12)C(=O)Nc1ccc(O)cc1 408813454 QJJZACVARXJIEK-HMMYKYKNSA-N 454.913 6.323 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccc(F)cc1 408852700 HQQAKCPLVJIPGC-LICLKQGHSA-N 496.292 5.621 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)c(OC)c1 408865259 CJYSTEQYHQZGLR-SRZZPIQSSA-N 492.959 5.168 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(Cc2cccc(F)c2)c(OC)c1 408871798 ZTJWDQFKANZMPR-RGVLZGJSSA-N 493.376 6.296 50 40 JKGB CCCCOc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 408882371 QYNONWKWYUHFRR-VUTHCHCSSA-N 452.639 6.249 50 40 JKGB Cc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)c2)cc1 408888660 YMVCMKQJEAJXGF-LDADJPATSA-N 451.309 6.067 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)ccc1Br 408905443 YOXDRSBKOYWXHB-GATIEOLUSA-N 484.423 5.871 50 40 JKGB Cc1cccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccccc2)c1C 408922687 QPJDJTNSQQUDJC-UHFFFAOYSA-N 497.705 6.276 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCC(=O)Nc1ccccc1OC 409010128 JQTXFCMOTXCCID-JCMHNJIXSA-N 499.567 5.274 50 40 JKGB N#Cc1ccccc1COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 409037153 XRTQKKUPLSOMAS-FMFFXOCNSA-N 482.543 6.116 50 40 JKGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC 409040465 YCEACLXKPWKCCH-RHANQZHGSA-N 471.944 5.893 50 40 JKGB O=C(N/N=C\c1cc(Br)c(O)c([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12 409048464 ORSLOKTXHJPOCL-MXAYSNPKSA-N 491.301 5.042 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)c(Cl)c1 409123232 AWRQHYHRQVCXJF-HSZRJFAPSA-N 485.367 5.786 50 40 JKGB Cc1c(-c2ccc(/C=N/NC(=O)CCCOc3ccc(Cl)cc3Cl)o2)cccc1[N+](=O)[O-] 409162104 CQZDMSDGODHRFR-DHRITJCHSA-N 476.316 5.779 50 40 JKGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)NC3CCCC3)cc2I)cc1 409190941 CARUREHFZZSSIW-UNOMPAQXSA-N 486.353 5.144 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12 409226352 NCTONUVLXSSLMJ-NTFVMDSBSA-N 457.461 5.159 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(O)cc1 409248438 GNYHQLGVGMCSKT-MHWRWJLKSA-N 482.323 5.262 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1OC 409316669 MUSOYSCARUHILH-RHANQZHGSA-N 496.991 5.879 50 40 JKGB CCc1ccc(CC(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)cc1 409364976 PMFRXQQYVFEDPQ-QQXSKIMKSA-N 451.364 5.283 50 40 JKGB COc1cc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(Cl)cc1Cl 409373731 YOPSLGNIGUFKQZ-FQEVSTJZSA-N 460.361 5.759 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 1454099 KTHXVUMWIUSWRR-GZTJUZNOSA-N 480.376 6.846 50 40 JKGB Cc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)NC2=C1C(=O)CCC2 2321720 YGFYKDZDQPRZPR-XMMPIXPASA-N 478.017 5.758 50 40 JKGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)cc1 2439562 GORANMZSEAXXOU-XMHGGMMESA-N 491.956 5.095 50 40 JKGB COc1ccc(Br)cc1[C@@H]1CC(=O)N2CN(c3ccc(C)c(C)c3)CSC2=C1C#N 9693452 DLFQRGZLFHWRGJ-SFHVURJKSA-N 484.419 5.294 50 40 JKGB CCCCCCOc1ccccc1/C=N\NC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1 12419791 ZKGKHDOILGKHJO-CEUNXORHSA-N 464.993 6.642 50 40 JKGB Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 13174271 RAUMKUGEQQMCQZ-NRFANRHFSA-N 470.019 5.511 50 40 JKGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc(Br)cc1 14134462 PADARPXHZRMQPW-AFUMVMLFSA-N 457.755 5.374 50 40 JKGB COc1ccc(C(=O)N/N=C/c2c(Br)c(C)n(-c3cc(C)ccc3C)c2C)cc1 20243860 RFWWVXOLXWFHJI-DHRITJCHSA-N 454.368 5.246 50 40 JKGB CCc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2cccc(C)c2)c2ccccc23)cc1 20558655 OYOLJQTVBMJGQR-VWLOTQADSA-N 483.593 5.084 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1Br 26123370 QYSFNZUTYIVQBC-JVWAILMASA-N 459.343 5.945 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 27532506 GNJTVHIKXDSXRV-LFIBNONCSA-N 465.849 5.231 50 40 JKGB CCOC(=O)COc1c(Br)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OCC 33429641 GIBMCSFKPFQGSL-SXGWCWSVSA-N 484.350 5.039 50 40 JKGB CCN(CC)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)cc1 33473166 WUHPREFKNYGZDA-JVWAILMASA-N 489.601 5.827 50 40 JKGB CN(NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)c1ncc(C(F)(F)F)cc1Cl 35622964 COUIDJXPPGWDGL-UHFFFAOYSA-N 490.791 5.741 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSCc3ccc(Cl)cc3)o2)cc1 58915656 DXMQFWUVIZMVCG-DHRITJCHSA-N 456.951 5.160 50 40 JKGB CO[C@@H](C(=O)N/N=C(\C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2)c1ccccc1 58917328 TUSNEIOVYPFCGY-FNEKQRDHSA-N 469.560 5.880 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1cccc(Cl)c1 59117058 PKJFFAUCQBNDCJ-WOJGMQOQSA-N 467.750 6.227 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(F)cc2)c1C 59201407 GFVUBVTUWZFBCI-UDWIEESQSA-N 479.349 6.330 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1F 59225028 BEWISYZVNJOHTF-DEDYPNTBSA-N 479.349 6.275 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(F)cc1 59536332 JJCGAJHMHJBIPN-UDWIEESQSA-N 464.924 6.311 50 40 JKGB CC(C)[Si](Oc1cc(N)c([C@](O)(C#CC2CC2)C(F)(F)F)cc1Cl)(C(C)C)C(C)C 198120313 ANQURARMFOGDLJ-OAQYLSRUSA-N 462.028 6.640 50 40 JKGB in-vitro COc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccccc1 408578721 ALGQLYOFFNUSDC-CPNJWEJPSA-N 463.331 5.539 50 40 JKGB N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)C(=O)Nc1cccc(Br)c1 408761311 DLMGSWQDUJPLPR-UVTDQMKNSA-N 472.136 6.017 50 40 JKGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)c1ccccc1-n1cccc1 408764012 VOEYNRKZCZSFBM-ZTKZIYFRSA-N 495.560 5.162 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1 408788908 GKCHWMOZYCRSTL-DEDYPNTBSA-N 478.907 5.780 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1C#N 408790840 ZIBRDZZBKSEZRZ-FSJBWODESA-N 485.971 6.352 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2)ccc2ccccc12 408796103 DOUAEAHZKJLRGK-RCCKNPSSSA-N 468.940 6.626 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1C#N 408797611 SHCRZTJVUSVVMT-SSDVNMTOSA-N 471.944 5.962 50 40 JKGB CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl 408798798 WZADYUNSGSRTRS-KGENOOAVSA-N 476.960 6.262 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1ccccc1Cl 408811848 RWBKTURZRZJFCM-IOQNOCSLSA-N 452.982 5.920 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C 408812693 PIZMNKPGHOFPLT-STZFKDTASA-N 454.599 6.014 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCc1ccccc1Cl 408818068 XSXRZMOSLZOZCU-JCMHNJIXSA-N 490.962 6.731 50 40 JKGB O=C(N/N=C/c1ccco1)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1 408839026 LTNSPEOWKZHLKM-FOKLQQMPSA-N 468.878 5.072 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)cc3Cl)c(C)c2)c1 408851146 IZJAUSQCJQSPHJ-CIAFOILYSA-N 465.380 7.043 50 40 JKGB CC(C)(C)C1CCC(=NNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)CC1 408861502 CMXJDBCRJMGCRZ-UHFFFAOYSA-N 459.678 6.463 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2cccc(F)c2)c1C 408866624 HGGLFEJAYWQQPA-FYJGNVAPSA-N 463.350 6.342 50 40 JKGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 408870108 RWHDRACHRRRQAV-BIZUNTBRSA-N 479.546 5.924 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 408878690 CUSRNSBAUASSHM-SFQUDFHCSA-N 471.771 7.080 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1 408878868 CXNOUDBDAWZEEF-BYNJWEBRSA-N 491.657 5.359 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 408880555 KKTJDYCCKPXJBS-XMHGGMMESA-N 495.362 6.295 50 40 JKGB Cc1c(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc2n1Cc1ccccc1F 408905059 SNRUUQFWLIEJBR-MUXKCCDJSA-N 470.460 5.555 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)ccc3Cl)c2C)cc1Cl 408982601 IFBSMVRHSWGAPV-NVMNQCDNSA-N 468.340 5.953 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1O 409031232 JLKIINSSPVYXLJ-MZJWZYIUSA-N 492.988 6.075 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1F 409050069 ZVQJBGDBZBGGJM-VCHYOVAHSA-N 455.316 6.566 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2[C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1 409107930 YFZUPPFDXLYSMA-XMMPIXPASA-N 491.341 5.283 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4cc(C(=O)OC)ccc4C)c3C)cc2c1 409187664 SXUSIIFXEIDGSK-MBTHVWNTSA-N 473.529 5.098 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 409192855 GCGAXZKTOFXKLG-WQRHYEAKSA-N 459.373 5.937 50 40 JKGB COc1cccc(/C=C(/C#N)c2cccc3ccccc23)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409320588 BNXIBMTUYDXPQG-RGEXLXHISA-N 467.437 6.521 50 40 JKGB C=C(Nc1cc(C)ccc1N)/C(C#N)=C/c1ccc(Oc2ccc(Cl)cc2Cl)c(OCC)c1 409331898 DSUUJPGTAVGFFB-XDHOZWIPSA-N 480.395 7.608 50 40 JKGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccccc1OCc1ccccc1Cl 409353423 KNDZIROVKNDHEZ-LGJNPRDNSA-N 472.770 5.244 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)c2C)cc1 409393056 UUQPDDHSLLQUEE-NDZAJKAJSA-N 465.553 5.163 50 40 JKGB Cc1ccc(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3ccc(C)cc3)n2-c2ccccc2)cc1 2097366 RJPFCLOPADFPNY-YJLDXCOUSA-N 484.629 5.127 50 40 JKGB CC(C)c1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3cccc4ccccc34)ccc2O)cc1 8721544 CQSVTVKJNPDRRD-HCHSGZHCSA-N 466.541 6.613 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)c(Br)c(Br)c1O 10060134 BMFGLVIJSVNBCP-ODCIPOBUSA-N 490.579 5.042 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 13799413 JZJKIXRCMJQCLT-YVLHZVERSA-N 471.315 6.266 50 40 JKGB CCOC(=O)/C(C#N)=C/c1cc(Cl)c(OCCOc2ccc(C3CCCCC3)cc2)c(OC)c1 13896680 QBGGLEXGTUEPOO-PXLXIMEGSA-N 483.992 6.324 50 40 JKGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 14920860 JIYQVJGGYDKOJI-LGJNPRDNSA-N 459.398 5.956 50 40 JKGB N#Cc1ccc(COc2ccc(Cl)cc2/C=N/NC(=O)c2ccccc2Br)cc1 20760678 LNVYRHASPYNKIJ-LGJNPRDNSA-N 468.738 5.317 50 40 JKGB N#C/C(=C\c1ccc(OCC(N)=O)cc1)c1nc(-c2cccs2)c(NC(=O)c2cccs2)s1 26771319 CYQUZEQGCOZVDL-RVDMUPIBSA-N 492.607 5.114 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc4ccccc34)n2-c2ccccc2)cc1 28350920 ZUAOUWLYWCLOBU-MIXAMLLLSA-N 477.593 5.638 50 40 JKGB C/C(=N/NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc(Cl)cc1 33718828 PRRYPCZPMCWBLV-COEJQBHMSA-N 454.957 6.740 50 40 JKGB N#CC(C#N)=C1C=C2N[C@@]34CCCC[C@@H]3[C@H](c3ccccc3)C=C(c3ccccc3)N4C2=CC1=O 49864531 FGOLVDVSZTWLSE-LOLKONATSA-N 456.549 5.311 50 40 JKGB CC1(C)[C@@H]2CC[C@]1(C)/C(=N\NC(=O)c1cc3n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N3)C2 101999362 FBMLHCJNVNTSAR-QVNREWJCSA-N 477.506 5.615 50 40 JKGB COc1ccc(P(=Nc2ccc(Br)cc2)(c2ccccc2)c2ccc(OC)cc2)cc1 102147363 OSOGHVWRFYSNLR-UHFFFAOYSA-N 492.353 6.276 50 40 JKGB CCN1c2cc(C)c(/C=N/NC(=O)c3cccc(I)c3)cc2[C@@H](C)CC1(C)C 223575485 OYDKBGJSMIGTCH-MMDHUZEPSA-N 489.401 5.476 50 40 JKGB COc1c(Cl)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Cl 408568945 LOKTVXCHCNIZAP-LSHDLFTRSA-N 457.404 5.010 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 408582986 QKYFGXPQEFUOMO-DEDYPNTBSA-N 450.332 6.109 50 40 JKGB N#C/C(=C/c1cc(Br)c(O)c(I)c1)c1ccc(Cl)cc1 408737897 JLBLCOIETASXIA-WZUFQYTHSA-N 460.496 5.477 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(F)c(Cl)c1 408748117 YQBOWHQZCUTSNG-YBEGLDIGSA-N 472.745 6.195 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Cl)cc1Cl 408765594 MLTXMTUQFILCCW-SXGWCWSVSA-N 489.200 6.709 50 40 JKGB N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Br 408793720 QBQVVLVCTODTDB-XSFVSMFZSA-N 488.341 5.476 50 40 JKGB Cc1cccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 408794766 SWGOWOPBWAACHR-ZXVVBBHZSA-N 474.560 6.699 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Br 408797289 QSMBDSWOFDSJFY-MDWZMJQESA-N 478.140 5.028 50 40 JKGB O=C(N/N=C\c1cn(Cc2ccccc2F)c2ccccc12)c1cc2cc(Br)ccc2o1 408845575 HSOFYPSPQPZFDP-QDTIIGTASA-N 490.332 6.101 50 40 JKGB COc1cccc(/C=N/NC(=O)COc2c(C)cccc2C)c1OCc1ccc(Cl)cc1Cl 408913645 QZLQNHOEYYYVII-XODNFHPESA-N 487.383 5.727 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cccc(Br)c2)c(C)n1-c1ccccc1Br 408996337 DCVQAUPRWYCIIP-FMCGGJTJSA-N 475.184 5.383 50 40 JKGB COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1OCc1ccccc1 409018821 VREUSAIPCVLZBE-FDVSRXAVSA-N 475.932 5.005 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)cc1 409046220 JRFHTSKSHVOMAL-LICLKQGHSA-N 471.315 6.266 50 40 JKGB CN1C(N)=C(C#N)[C@@H](c2ccccc2OCc2ccc(Cl)cc2Cl)C2=C1CCCC2=O 409128818 IYHHVNLWOIUKGI-JOCHJYFZSA-N 454.357 5.302 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1cccc(F)c1 409142236 WZDRXMJYDNCFFE-QFIPXVFZSA-N 468.912 5.272 50 40 JKGB Cc1cc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)ccc1Br 409200902 KFKDFBALKMHRIC-BRJLIKDPSA-N 490.854 6.061 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc2ccccc2c1 409212778 RDHNOELQVFSRRY-QRVIBDJDSA-N 470.912 7.053 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)[C@H]1CC(=O)N(c2ccccc2)C1 409263697 MFRAVARVFNVTHK-FUSDPXDGSA-N 482.367 5.076 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1 409302151 HRPWPJBIOQDIAM-HMAPJEAMSA-N 474.387 8.188 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1OC 409332759 MARRKPOZNNYUJI-VYYCAZPPSA-N 473.356 5.744 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 409377622 ITMITKOKCPOTLI-HAHDFKILSA-N 453.542 5.429 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4cccc(C(=O)O)c4)c(Cl)c3)[nH]c2c1 409391621 KFHKPWXUJYLPMK-NVMNQCDNSA-N 459.889 5.566 50 40 JKGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(COc2ccc(Br)cc2)c(C)cc1C 648389 KRDPFWJDDISJOK-HSZRJFAPSA-N 497.389 5.290 50 40 JKGB Cc1ccccc1[C@H]1C(C#N)=C2N=C(N)c3c(sc4c3CCCCC4)N2C2=C1C(=O)CCC2 708320 SRVDHFMQZSLUEH-QFIPXVFZSA-N 454.599 5.390 50 40 JKGB aggregator COc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1 1101210 BKAAVYISRYLBLH-MHWRWJLKSA-N 452.264 5.617 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 1790582 SMWCKOIIQANTRS-FYAMCCBRSA-N 488.012 6.022 50 40 JKGB O=C(CCC(=O)Nc1cccc(Br)c1)N/N=C/c1cccc(Oc2ccccc2)c1 2100248 YAJVYADFLLJTPU-PCLIKHOPSA-N 466.335 5.110 50 40 JKGB N=C(NC(=O)ON(Cc1c(F)cccc1Cl)Cc1c(F)cccc1Cl)C(Cl)Cl 2577749 XUCQAHCVASUTHH-UHFFFAOYSA-N 471.118 5.696 50 40 JKGB N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 2670906 OMQBQGRCSILYST-XSFVSMFZSA-N 495.991 7.346 50 40 JKGB O=C(CCCCl)O/N=C1\C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc21 3064367 QFUWPCOPBDGUBK-ITYLOYPMSA-N 459.251 5.172 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1OC(=O)c1cccs1 3376837 GXSFFINLMICADT-CAPFRKAQSA-N 496.544 6.314 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1cccc(C(=O)O)c1 9311784 YPLCECBTKVYMAR-VCHYOVAHSA-N 464.319 5.101 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccn3)N(c3ccccc3)C2=O)cc1Cl 9427739 DBXWYVGNEXQJFE-QAKHZNQRSA-N 474.973 5.108 50 40 JKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 9659933 OKYILZMQCXOBII-ZXHXELASSA-N 494.554 5.900 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl)C(=O)NCc1ccccc1 12285365 FZQWZXKYMLXJEV-VXLYETTFSA-N 471.771 6.449 50 40 JKGB CC(C)(C)[C@@H]1CC=C2[C@@H](C1)[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)C2(C#N)C#N 19853287 KPMDRDWXBMRHGE-RCDCFZSISA-N 453.359 5.454 50 40 JKGB CCOc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)ccc1OCc1ccc(F)cc1 41120604 BWKGOIMCGRTBPM-CPNJWEJPSA-N 473.529 6.608 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1cccc(Cl)c1 59117077 OZLVBJHENIJMAH-YBFXNURJSA-N 467.352 6.517 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OC 59224500 SQPJGRBTAIHBMW-WUXMJOGZSA-N 455.230 5.031 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 59433640 WLIPHIWNURKTDZ-KOEQRZSOSA-N 462.549 6.535 50 40 JKGB COCc1cc(C)nc2sc(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)c(-n3cccc3)c12 78546552 FMYBHNYQVOTEQQ-OPEKNORGSA-N 473.385 5.613 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)c1cccc([N+](=O)[O-])c1 108049471 AONBAKPBSDTKTG-UNOMPAQXSA-N 482.277 5.843 50 40 JKGB COc1ccc(CCCC(=O)NN=Cc2c(OCc3ccccc3)ccc3ccccc23)cc1 245380231 UOIITCIXORCVTA-UHFFFAOYSA-N 452.554 5.900 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc3ccccc3c2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 408598524 CHRKUZCQWWLYJU-WCMJOSRZSA-N 486.402 7.222 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1 408744835 NMAZOZXIWKDYJQ-LSCVHKIXSA-N 481.335 6.155 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1ccccc1F 408795821 MRZCJIWBFVDNTH-KGENOOAVSA-N 474.488 5.136 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1 408807859 PAVMREDXCKSLCI-HZHRSRAPSA-N 466.968 7.235 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1cccc2ccccc12 408884275 WMXRHHYAJLAQTQ-HZHRSRAPSA-N 482.967 6.935 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1 408891770 VDXCGCLVZVKOBJ-LTGZKZEYSA-N 452.485 6.112 50 40 JKGB CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c1C 408966935 NZXWLZXVDUZQGM-FSGOGVSDSA-N 451.570 5.853 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2C)c1 408967792 SDFUEVDJIKGGOI-LGJNPRDNSA-N 458.345 5.342 50 40 JKGB Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1 409048716 UWSWRHDYLMCWEK-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1cccc(Cl)c1 409069988 ZBMWGNPZLLLWPV-OEAKJJBVSA-N 472.972 6.510 50 40 JKGB O=C(O[C@@H](C(=O)c1ccccc1)[C@@H](Br)c1cccc([N+](=O)[O-])c1)c1ccccc1 409205984 UKENXMFRRARYJD-PZJWPPBQSA-N 454.276 5.139 50 40 JKGB COc1c(Br)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Br 409213293 SGVDWTQQTUIMNY-DNTJNYDQSA-N 492.620 5.116 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1 409263572 HUJJGGHHBHACCC-ODLFYWEKSA-N 494.378 6.173 50 40 JKGB Cc1c(/C=N/NC(=O)CNc2ccccc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 409386540 MKECPOQQLVUDTC-IPPBACCNSA-N 465.384 5.867 50 40 JKGB Cc1cc(C)c([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)c1COc1ccc(Cl)cc1 647862 KPFOHQFZBKZRHU-KCWPFWIISA-N 483.015 6.438 50 40 JKGB CCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)N(C2CCCCC2)C2CCCCC2)c(OC)c1 876223 CNHKRMRBXVXQIY-LTGZKZEYSA-N 468.594 5.038 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 1508508 KLYVJTABECPVLG-ATVHPVEESA-N 454.404 5.688 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3cccc(Cl)c3)N(c3ccccc3)C2=O)cc1 2354486 YSRYQYXAAXMSHR-YDYXIROLSA-N 473.985 5.713 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)cc1 4086250 DYWUOEZGPCXGBX-XMHGGMMESA-N 468.944 5.788 50 40 JKGB CCn1c2ccccc2c2cc(N/C=C(\C#N)c3nc(-c4ccc(CC(C)C)cc4)cs3)ccc21 8837726 GLRCERPQUKTDRK-PTGBLXJZSA-N 476.649 8.113 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)c1 12615168 ZKCNNZABIFVMRI-QPJXPZJXSA-N 484.600 5.229 50 40 JKGB CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)cc2)cc1 13128525 IZVAMYNTCUIMAN-UHFFFAOYSA-N 483.568 5.099 50 40 JKGB CCOc1ccc(OCc2ccc(C(=O)N/N=C(\C)c3ccc(C4CCCCC4)cc3)cc2)cc1 13141500 YLIBZKLHVBAHSJ-DFKUXCBWSA-N 470.613 6.866 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1C 13923742 OEPBZOJRAZKZDJ-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OC 16440436 PVTJZQZDEXZLCK-KPKJPENVSA-N 470.150 5.709 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(CN2CCOCC2)cc1 18173202 LEEXEHRIITVOSE-AJBULDERSA-N 479.580 5.015 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)Cc2ccc(Cl)cc2)cc1 23410680 HYHYPKUHGVTLBQ-LQKURTRISA-N 498.048 5.113 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccccc1F 33628522 XGFBLHAIIMBFQW-LGJNPRDNSA-N 479.489 5.300 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc(Br)cc1 58951597 PYDBJJDKEALFRT-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccs2)cc(Br)c1OCc1ccc(Cl)cc1 59197953 GFVLTRMQFXODKC-WYMPLXKRSA-N 493.810 5.906 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cccc(C)c1 59292073 LFJSULRDBQDWHP-UDWIEESQSA-N 466.459 6.147 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1cccc(C(=O)O)c1 59301863 YTKVSJMJALJRKJ-ODLFYWEKSA-N 462.889 5.171 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1Br 59432847 WCRDZWCZUDNLCH-OQLLNIDSSA-N 476.168 5.631 50 40 JKGB C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643623 YSWOBWOLQXRGTB-MZJWZYIUSA-N 466.324 5.157 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2s1 109015919 JYINCZWUGZDKCA-UVHMKAGCSA-N 488.956 6.230 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(Br)c1OCc1ccc(Cl)cc1 408567269 LFAFWZHDLIASLQ-NHDPSOOVSA-N 493.788 7.016 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408599559 WJXVAOLLCCPESB-LGJNPRDNSA-N 488.327 5.643 50 40 JKGB CCOc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 408718726 CBKXAHSTUISGCY-LQKURTRISA-N 471.384 6.054 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3Cl)c2C)cc1C 408740222 JINCUZAKGGCSKS-OKCVXOCRSA-N 473.020 6.536 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2ccccc2OC)c1Cl 408810518 KXZQYCLAUJZRFF-BRJLIKDPSA-N 476.316 5.279 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 408838759 HYTVWDVJXDHIDE-LGJNPRDNSA-N 467.381 6.624 50 40 JKGB Cc1cc(/C=N/NC(=O)Nc2ccc(Cl)cc2)cc(C)c1OCc1ccc(Cl)cc1Cl 408852072 HUFIDBBHBKAILJ-KKMKTNMSSA-N 476.791 6.998 50 40 JKGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 408876462 OYYPALWSHBONQR-JOBSNELWSA-N 459.398 6.203 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1cccc(I)c1 408887378 QHOVUOWRSASDGD-LDADJPATSA-N 498.295 5.555 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccccc1 408888401 ZOCGHPLGLJGVHU-YBFXNURJSA-N 462.889 5.171 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OS(=O)(=O)c1ccccc1 408896991 PMDWHOHLMWTWKP-OQKWZONESA-N 498.560 5.552 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)ccc1Br 408904253 HCQXIVBEWNVSBD-FMCGGJTJSA-N 470.327 5.229 50 40 JKGB Cc1cccc(Cn2cc(/C=N/NC(=O)COc3ccc(Br)cc3)c3ccccc32)c1 408992776 BUOQEBQKOKUZIQ-MZJWZYIUSA-N 476.374 5.290 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl)C(=O)Nc1ccc(F)cc1 409046181 JBYOQQLFALJPFC-CXUHLZMHSA-N 475.734 6.911 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 409047496 OAWAEBSDWGRVTR-LZYBPNLTSA-N 486.286 6.165 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OS(=O)(=O)c1ccccc1 409070501 YPYMODIHVPBRJH-RCCKNPSSSA-N 476.554 5.016 50 40 JKGB O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1)Nc1cccc(Br)c1 409187730 UFPOFPIZUBNACU-NHDPSOOVSA-N 450.745 6.002 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1cccc2ccccc12 409236226 SAYBLVLXDDVXSA-DIBXZPPDSA-N 476.576 6.083 50 40 JKGB Cc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccccc1Br 650716 XBNCIQIGXJAYEC-OAQYLSRUSA-N 499.430 5.849 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3C)C(=O)N2c2ccc(C)cc2)cc1 935033 ZNLHRHBTFXMODL-IEQIIXMPSA-N 467.594 5.677 50 40 JKGB COc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 2229053 QCQYGUQCUBDEHW-SHMWJOFESA-N 483.593 5.377 50 40 JKGB COc1cccc(COc2ccccc2/C=N/NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1 3166995 BQGXUPWUQFIYAI-CJHIPLPSSA-N 454.526 5.345 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 4106542 SUHHDCZHBWHFNG-CCVNUDIWSA-N 466.368 5.698 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C)c1 9113216 RVIRDMUMQXAHSD-YBFXNURJSA-N 482.367 6.123 50 40 JKGB COc1ccc2nc(/C(C#N)=C/c3cc(Br)ccc3OCc3ccccc3)[nH]c2c1 9263557 MJERHOVRXCXGGI-WOJGMQOQSA-N 460.331 5.977 50 40 JKGB Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)s2)cc1 9404118 LTCNLKXWBQKMDN-AQTBWJFISA-N 470.510 5.756 50 40 JKGB Cc1cc(C)cc(OCCOc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c1 13940491 LCGJXTXEVFNJMO-LPYMAVHISA-N 495.406 6.291 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1C 14134611 QDYUGCVDNLORFW-FJEPWZHXSA-N 478.423 6.614 50 40 JKGB C/C(=N\NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 14158111 RCVDBZWFVGAHBO-JJKYIXSRSA-N 497.620 5.232 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)n1 16283796 XMVYHJNVDAKRIL-LUOAPIJWSA-N 498.439 5.646 50 40 JKGB Cc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 16292486 RPVJUNJNEQIALM-RPPGKUMJSA-N 460.430 6.093 50 40 JKGB CCCCN(CCCC)CN1C(=O)/C(=N\NC(=O)c2ccc(C)cc2)c2cc(Br)ccc21 20582736 BYRNCKCHTNPYKA-VYIQYICTSA-N 499.453 5.098 50 40 JKGB CCN(Cc1ccccc1)c1ccc(/C=C(/C#N)C(=O)c2cc(C)n(-c3ccccc3F)c2C)cc1 29492847 QOXJRCPEISDJMN-XHPQRKPJSA-N 477.583 7.050 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc(C(=O)O)cc1 33706729 GLKZOGOTRPQDHJ-BKUYFWCQSA-N 453.498 5.611 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)c(C)n1-c1cccc(Cl)c1Cl 58912822 WNROHQUJELMFPJ-UVHMKAGCSA-N 471.388 5.613 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1O 59117533 OYDDAMFPDRDDKK-VZUCSPMQSA-N 456.123 5.406 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1 59117546 PIRBGLJUQBICGY-LDADJPATSA-N 481.335 6.157 50 40 JKGB COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)/C(C#N)=C/c2ccco2)[C@H]3c2ccc(OC)cc2)cc1 67321614 DHWUBFOYUAUVOK-GXDHFHISSA-N 493.563 6.027 50 40 JKGB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3[C@H](Br)C(=O)[C@@]21C 118927638 UBRJOFJFNRMMKB-NJSSKWCMSA-N 453.461 6.089 50 40 JKGB CC(C)=CCC/C(C)=C/CC/C(C)=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 138836153 ZBPWLGOAEIBEQB-FTCDMPOVSA-N 467.657 8.400 50 40 JKGB C[Si](C)(CCCNC(=O)Nc1ccccc1)O[Si](C)(C)CCCNC(=O)Nc1ccccc1 195812248 HSNBVFBFBAUCSR-UHFFFAOYSA-N 486.765 5.837 50 40 JKGB COc1cccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c1OCC(=O)Nc1ccc(C)cc1 408568854 LGFPTGVGAYTTML-PDGQHHTCSA-N 456.477 5.101 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccccc1 408570845 ZFKFXZWYIOQFGT-MYYYXRDXSA-N 451.617 5.102 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)CC2=O)cc1C 408611230 VNSIAWJKZYDJCX-IBGZPJMESA-N 498.410 5.685 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C/c2c(OC(=O)c3cccc4ccccc34)ccc3ccccc23)c1 408763019 GVYVCKFUWLQMQO-PTGBLXJZSA-N 498.538 6.766 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2ccc(C(C)C)cc2)cc1 408779315 UZJOEZQJRBLDNK-JVWAILMASA-N 484.021 5.117 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 408789708 RLILWAFRDDXXLT-WSDLNYQXSA-N 460.961 6.399 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1c(C)ccc2ccccc12 408805477 KKMAVWDPAFNYHB-PXLXIMEGSA-N 482.967 6.935 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 408811562 MOFPQINVMSURSG-NDENLUEZSA-N 495.348 5.399 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)c1C 408819117 ZOKPTILFPLSKOA-BKUYFWCQSA-N 454.599 6.069 50 40 JKGB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 408824531 QUIFXLIPWFYKMM-OQKWZONESA-N 482.967 7.017 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2ccccc2Cl)cc1 408827338 GRKYQYWIMCTVJH-UHFFFAOYSA-N 462.015 5.060 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=N\NC(=O)c3cc4ccccc4o3)cc2Cl)cc1 408850051 DUBFTNXBGDASOR-WKIKZPBSSA-N 453.325 6.391 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1cccc(Cl)c1 408867566 LNWMQBUNWLWWJD-VCHYOVAHSA-N 485.342 6.656 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1 408880949 JMSHIKGOBOTHRQ-RQZCQDPDSA-N 498.322 6.035 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2cc(C)cc(C)c2)cc1 408884113 SRFQEEFHIUTJLN-BUVRLJJBSA-N 454.526 5.235 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2Cl)cc1 408884863 YTDCEPZHDKKGHV-OGLMXYFKSA-N 473.916 5.122 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)cc2)c1C 408899163 ZOFWEBRZGNAGSO-KGENOOAVSA-N 461.359 6.191 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCC 408984195 PYKZDGKZVXIOAR-YVLHZVERSA-N 459.771 6.084 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1c(C)cc(C)cc1C 408987793 YGMUOKJQEKIICC-BUVRLJJBSA-N 454.570 6.444 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2F)cc1 409049370 WJJGZKMNDNQLPE-VCHYOVAHSA-N 499.325 6.044 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OCC)c1OCc1ccccc1Cl 409071155 FGEMUAICEXPQNW-PCLIKHOPSA-N 486.999 6.270 50 40 JKGB COc1cc(/C=C(\C#N)c2ccccc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409087444 UEBRGKMETBGTGB-CXUHLZMHSA-N 451.822 6.021 50 40 JKGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409115993 KXMCZYRXRVUMHJ-LQKURTRISA-N 498.048 5.426 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1cccc(F)c1 409231622 DHRQIWNXIFATSJ-MUXKCCDJSA-N 458.892 5.289 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C 409255357 HMCOGTXPRKBBRO-UDWIEESQSA-N 489.959 5.529 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1F)c1cccc2ccccc12 409303215 MFMCKKOEQUNBGX-KGENOOAVSA-N 458.330 7.385 50 40 JKGB O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cccc(OC(=O)c2ccco2)c1 1099760 HRAWQSJAQLZXES-CVKSISIWSA-N 477.314 5.107 50 40 JKGB COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OCc3ccc(Cl)cc3Cl)c2)cc1 2077339 JIFWKQRJYUPGCZ-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1I 2669917 NWVUUJJFVKTVGL-RGEXLXHISA-N 480.305 5.416 50 40 JKGB C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1c[nH]c2ccc(Br)cc12 2766127 DSCCPOIAZFWWQV-HVAQTUQNSA-N 492.373 5.427 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(C(=O)O)cc1 2777238 WWXJADOSLKFBBV-HYARGMPZSA-N 456.498 5.217 50 40 JKGB COc1cc(/C=C(\C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccccc1Cl 4196287 XVJMUOVXVURZPE-GIJQJNRQSA-N 489.196 7.408 50 40 JKGB Cc1cc(C)c(OCC(=O)N/N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(Br)c1 12362584 NYJFFIFCUYKAOW-BCHBDCPOSA-N 495.295 5.874 50 40 JKGB C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccc(F)cc1 13584049 UVRXACGTGGRBIR-NTFVMDSBSA-N 466.969 5.510 50 40 JKGB Cc1ccc(/N=N/c2ccc(O)c(/C=N\NC(=O)[C@@H]3C[C@H]3c3ccc(C(C)(C)C)cc3)c2)cc1C 15930621 DGODHGMOKOFVQE-ZTTHKBMISA-N 468.601 6.976 50 40 JKGB Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1 32697539 BOVBMFPRMGXYQM-IWIPYMOSSA-N 465.534 5.932 50 40 JKGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C\c2ccccc2OC(=O)c2ccco2)cc1 32929309 CCAQJIWAUNAALL-RHANQZHGSA-N 476.573 5.742 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1 59117033 SECWCEQQTBFHQJ-LICLKQGHSA-N 485.740 6.366 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc([N+](=O)[O-])c1 59336219 GMXISYKCTSXPMF-YVLHZVERSA-N 498.322 6.035 50 40 JKGB O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1cccc(F)c1 59427548 ZAYPWEBSKYCSOG-FMFFXOCNSA-N 493.969 7.368 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)ccc1OCc1ccccc1 59474295 SOFANBPRHZZGIR-AXNZHVIBSA-N 469.006 5.949 50 40 JKGB Cc1cc(Br)ccc1N/C=C(/C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 100708003 XDKRPGIUNFHNAO-XFXZXTDPSA-N 465.203 7.164 50 40 JKGB CCn1c(-c2ccccc2)nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1SC 104476293 YCHWJJAQUGEWOO-UHFFFAOYSA-N 479.609 5.911 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1 408580672 QODIXRZPXVIZHG-XMHGGMMESA-N 494.399 7.287 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1ccc(Br)cc1 408581358 WIXLETMFMTZLSO-RQZCQDPDSA-N 477.160 7.538 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1-c1ccc2ccccc2c1 408724016 CHYYDJYEKHGZII-OCSSWDANSA-N 474.520 5.494 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc(Cl)cc3)cc2-c2cccc3ccccc23)cc1 408724425 KDGTYJCUXNFIOG-UXHLAJHPSA-N 464.956 6.418 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1Cl 408734469 GSGDOQSIRCLPJY-PXLXIMEGSA-N 452.941 6.926 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OC(C)=O 408755196 MVLJDYFGLYCTJD-NTUHNPAUSA-N 498.160 5.626 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N\NC(=O)Cc2ccccc2)c1Cl 408808948 GWEOZYGUHLTACX-MXAYSNPKSA-N 460.317 5.200 50 40 JKGB O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(c1ccccc1)c1ccccc1 408817419 WESDSWBILOYWMT-FDAWAROLSA-N 489.402 6.855 50 40 JKGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OC 408825544 IOXARHPQOJIHTB-RCCKNPSSSA-N 472.928 5.485 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408883741 WHJKLBUASIMDFE-AFUMVMLFSA-N 498.333 5.099 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2F)c(OC)c1 408898734 MSBVBIMQSUMCHN-UDWIEESQSA-N 464.924 6.175 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c([N+](=O)[O-])c1 408922529 FCRNXUPFXYVESD-CAOOACKPSA-N 469.328 6.163 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)NCCc1c[nH]c2ccccc12 408953874 QGZVIBZVAMNAQC-BKUYFWCQSA-N 490.390 6.320 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc2ncccc2c1 408965564 IVXFGXSBUUXSNQ-MOSHPQCFSA-N 471.358 5.951 50 40 JKGB N#C/C(=C\c1ccc(SCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1 408988505 DPUYYCAPFUNGDP-SFQUDFHCSA-N 492.944 5.525 50 40 JKGB Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 409050610 XTQOFGSPRBBXRX-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 409143059 UEUDUPVXCKGHRG-LGJNPRDNSA-N 492.200 6.028 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OC)c1OCc1ccc(Cl)cc1 409190165 LUBVDMCZZPVSMZ-STZFKDTASA-N 450.966 5.622 50 40 JKGB Cc1ccc(OCCn2cc(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)c3ccccc32)cc1C 409194375 KNSFMYIFJZGNCY-HZHRSRAPSA-N 493.563 5.289 50 40 JKGB N#C/C(=C/c1c(OCc2ccccc2C#N)ccc2ccccc12)C(=O)NCCCc1ccccc1 409227867 SETPWVZIGFREDK-DIBXZPPDSA-N 471.560 5.946 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccccc1 409236524 RTBNVBUPMOKUPW-YZYPPFLQSA-N 458.430 5.080 50 40 JKGB C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NN(c1ccccc1)c1ccccc1 409336549 PBNYVVMXXKJSPQ-OFVILXPXSA-N 475.589 5.355 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(Br)c1OCc1ccccc1Cl 409371982 KPJTXLVTJXSNOP-NHDPSOOVSA-N 493.788 7.016 50 40 JKGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(COc2ccc(Cl)cc2C)c(C)cc1C 650559 IRBHPANWKBIAHG-HSZRJFAPSA-N 452.938 5.099 50 40 JKGB CCOc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 1757627 YWPLNTAHTQGUQO-QINSGFPZSA-N 460.471 5.200 50 40 JKGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 1779405 VXSJRNCYESSBSA-VULFUBBASA-N 482.396 5.484 50 40 JKGB O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccc(COc2ccc(Cl)cc2Cl)o1 2753781 JLFVCDBDXQLBDS-NSKAYECMSA-N 457.235 5.948 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc(Br)c1O 3268855 WNLQHBITZBBNMK-IZZDOVSWSA-N 455.280 5.024 50 40 JKGB C/C(=N\NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)c1ccc(Cl)s1 8454690 IGMRGCXJBXGKBK-MUFRIFMGSA-N 462.018 7.068 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1cccc(Cl)c1 8812409 SPGSWXICMVUZNI-UVHMKAGCSA-N 461.320 5.874 50 40 JKGB Cc1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3cccc(Br)c3)ccc2O)c(C)c1 13955366 XAFTUKWBTUSQBP-ZGQMNJRFSA-N 481.350 5.716 50 40 JKGB Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 14408921 IIELAPUBWHLSOS-RWPZCVJISA-N 474.358 5.527 50 40 JKGB Cc1cc(OCC(=O)N/N=C2/C=C(c3ccccc3)[C@@](O)(c3ccccc3)C2)ccc1C(C)C 15905844 CCJYMXCPTXOEHQ-XZVYTFQUSA-N 454.570 5.345 50 40 JKGB CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 59117524 LYLJTLXFYPWLTL-WUXMJOGZSA-N 470.150 5.709 50 40 JKGB CCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F 103528515 HOHBKSLTRIGPNU-MRXNPFEDSA-N 470.348 8.469 50 40 JKGB O=C(N/N=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cccc2ccccc12 408566308 FTSOCKIVSJLJHP-MNBJERMJSA-N 464.952 6.989 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1cccc(Br)c1 408589975 NSGBVIFJPMHIEQ-JVWAILMASA-N 460.375 5.703 50 40 JKGB COc1cc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3C)o2)ccc1I 408747618 QLODSURUSRGJJM-FOKLQQMPSA-N 494.716 5.286 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1cc(Cl)ccc1Cl 408757678 BNKDLKQDWZFQJP-SXGWCWSVSA-N 489.200 6.709 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cn(CCSc3ccc(Cl)cc3)c3ccccc23)c1C 408768207 UUXULUQYQRPFOY-PGMHBOJBSA-N 486.040 7.250 50 40 JKGB Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 408809339 KZYFIXMIYYUSLX-PXLXIMEGSA-N 463.493 6.181 50 40 JKGB Cc1cc(C)cc(NC(=O)N/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 408854815 BTMIVQACWFAHIK-KSEXSDGBSA-N 478.799 6.619 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(I)c1OCC 408870760 WRYNIQKTNUDYLT-GZTJUZNOSA-N 490.341 5.197 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1cccc(Cl)c1 408896153 PMEZVQQBCQFJPY-YBFXNURJSA-N 462.889 5.171 50 40 JKGB N#C/C(=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408898233 VXGUWLGNZYTVOG-LZYBPNLTSA-N 489.831 5.366 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1 408935164 HBBJZYHTNBNBTD-MOSHPQCFSA-N 491.341 5.360 50 40 JKGB CCCCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC 409030518 GAOWSPIWYGWHOW-CEUNXORHSA-N 453.542 5.853 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 409067332 OXGPEZKLQAHPGH-JXAWBTAJSA-N 482.945 5.052 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409073005 WTGSVFFURNRBHS-LDADJPATSA-N 494.956 6.020 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OCc1ccc(Cl)cc1Cl 409090870 QYANVQPXVYPAFB-CCVNUDIWSA-N 468.340 5.607 50 40 JKGB O=C(CNc1ccc(I)cc1)N/N=C/c1c2ccccc2cc2ccccc12 409180688 YGYRYLKAIZITPV-VULFUBBASA-N 479.321 5.160 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nn3c(C)ccc3C)c2C)cc1Br 409379908 BRDLIXFPWOYCJC-JAIQZWGSSA-N 451.368 5.261 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1cccc2ccccc12 409394328 YXZATNJXOOGTKG-QRVIBDJDSA-N 457.932 7.674 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N1C(=C(C#N)[C@H]2c2cccs2)N=C(N)c2c1sc1c2CCCCC1 708342 TWARSUXHPCHVJJ-FQEVSTJZSA-N 474.655 5.780 50 40 JKGB Cc1c(/C=N/NC(=O)c2cc3ccccc3o2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 2279225 XGQVYHRBJNTOLG-IPPBACCNSA-N 476.363 6.815 50 40 JKGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(COc2ccc(Cl)cc2)c(C)cc1C 2805839 ATDLITFOIOGKLP-HSZRJFAPSA-N 452.938 5.181 50 40 JKGB Cc1ccc(NS(=O)(=O)c2cc(NC(=O)/C(C#N)=C/c3ccccc3)ccc2Cl)c(C)c1 5941723 ZSXIADICENCDFY-CPNJWEJPSA-N 465.962 5.303 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OC(=O)c1ccccc1Cl 10060121 DQSRXSZUIXZPJZ-LGJNPRDNSA-N 457.313 5.294 50 40 JKGB CCOc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)CCl)[C@H]3c2ccc(OCC)cc2)cc1 13305147 KOZISSCPCOFRQW-IOTSTOIWSA-N 452.982 5.846 50 40 JKGB COc1ccc(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1COc1ccc(C#N)cc1 20258603 DKYFUYQJOSYMRD-OCSSWDANSA-N 457.574 5.202 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 59266405 QFJDQEQUDLTDEN-CPNJWEJPSA-N 490.390 6.941 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(-n4c(C)ccc4C)c3)c2C)cc1 59427433 SLYMGHOXCMPDGD-UXHLAJHPSA-N 482.584 5.442 50 40 JKGB COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(O)CCCC3=N2)cc1 102505987 RMJKETCJZRUVLQ-NRFANRHFSA-N 451.573 5.398 50 40 JKGB Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)N=C3CCCC(O)=C32)o1 102527341 ILSZGCQINCIUIQ-NRFANRHFSA-N 498.402 5.992 50 40 JKGB COc1cc(C(=O)Cl)cc(I)c1OCc1ccc(Br)cc1 226329012 UEEZUXZCOBETJO-UHFFFAOYSA-N 481.511 5.020 50 40 JKGB CCC[C@@H]1Nc2c(C(=O)O)ccc([N+](=O)[O-])c2[C@@H]2[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]12 245231446 COGRKLXBUHSTNJ-VBHADHFHSA-N 491.953 5.667 50 40 JKGB CCCCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1cccc2ccccc12 408539384 GWSCZBSZVLMJCQ-USHMODERSA-N 481.434 7.106 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 408582265 MQCPYFGVBOJTSG-CPNJWEJPSA-N 469.946 5.579 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc2ccccc2c1 408763517 SOSCCOYQGIFNRV-PXLXIMEGSA-N 481.939 6.056 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)c1C 408790084 NGTKYWOXXOUVOX-YZSQISJMSA-N 455.561 7.005 50 40 JKGB C=CCOc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 408850283 KFUQRGSJELKWRJ-JJFYIABZSA-N 478.140 5.287 50 40 JKGB O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2)c(Br)c1)c1cc2ccccc2o1 408853183 ZIRQPKABGMUDPX-ZMFRSBBQSA-N 483.749 6.192 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1OCc1cccc2ccccc12 408892861 DICCNGMFGXQZDH-HZHRSRAPSA-N 493.519 6.190 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)ccc1Br 408904705 NIOJDDDNMHBFJT-DICXZTSXSA-N 481.438 6.618 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 408999137 WPXCUMPVQVCKJY-JFLMPSFJSA-N 492.373 5.793 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)cc1)c1cc2cc(Cl)ccc2o1 409022050 IJCYHZPCSAOROT-ZMFRSBBQSA-N 483.749 6.192 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)cc1 409059649 WCYDUMOUZLQDFU-LICLKQGHSA-N 487.770 6.780 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 409230502 DYPSLUFHTIWBFV-ZHZULCJRSA-N 465.519 6.956 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1Cl 409251957 APWYQUAQJBWUOK-STBIYBPSSA-N 464.993 5.918 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)c1C 409252752 STAJXVKKQNLYHZ-UNOMPAQXSA-N 494.378 6.173 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(OC)c2)cc1OCC 409306013 YANDHVBJNOFHPC-RHANQZHGSA-N 480.536 5.365 50 40 JKGB CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OC)c1 409319350 DWFNZWUHFMHXOC-YSMPRRRNSA-N 483.362 5.199 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)c1ccc(C(F)(F)F)cc1 409369726 FKYYLZTWHPKVOI-BOPFTXTBSA-N 474.841 6.580 50 40 JKGB Cc1ccc(NC(=O)N(NC(=O)Nc2ccccc2)c2nc(-c3ccc(C)cc3)cs2)cc1 1415234 JMFYZEAYZAIWHH-UHFFFAOYSA-N 457.559 6.202 50 40 JKGB N#C/C(C(=O)N1CCCCC1)=C1/S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2331199 UIZJAQUIKXFPMS-JHMOUWFPSA-N 486.424 5.432 50 40 JKGB CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cc([N+](=O)[O-])c(C)s1 2728229 CAUIYUHPUOWBQH-ZTBJCTOSSA-N 476.352 5.188 50 40 JKGB O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1c(Cl)cccc1Cl 3092190 FZZCZBAWIOUXOX-SSDVNMTOSA-N 457.155 5.015 50 40 JKGB Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N/N=C3/C(=O)Nc4c(Cl)cc(Cl)cc43)cc2)c1 3262058 AUVMMUIWTILUAL-UHFFFAOYSA-N 496.394 6.090 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccc1OCc1ccc(Br)cc1 4180988 AURXZUKILORGHF-QFIPXVFZSA-N 479.374 5.479 50 40 JKGB C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1cccc2ccccc12 9076460 IIMDTYKJSRBKHU-TWKHWXDSSA-N 464.594 5.870 50 40 JKGB CCOC1(OCC)OC(c2ccccc2)=C(C#N)[C@@H](/C=C\c2ccccc2)C1(OCC)OCC 17106072 ICXWWOOXSACVDA-AECAFBKVSA-N 463.574 5.777 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 28216736 QNZPLUNVZZYASU-ROCQKPIASA-N 460.430 6.173 50 40 JKGB CC[C@H](C)c1ccc(OCCOc2c(Cl)cc(/C=N\NC(=O)Nc3ccccc3)cc2OC)cc1 30734550 LZNBMJAJPGYTKB-KNTMNKSTSA-N 496.007 6.476 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Br)cc1 58914603 GBRCAPHPBIPHKB-RMORIDSASA-N 481.133 5.105 50 40 JKGB C/C(=N\NC(=O)CN1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 58917269 XWAUNRZXMISWGE-JPMQUXBJSA-N 463.025 5.493 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1O 59336505 IOLMTCPQEQOWAE-JYRVWZFOSA-N 452.135 5.736 50 40 JKGB N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)N=C2CCCC(O)=C2[C@@H]1c1ccc(Cl)cc1 95481014 IDVLGIAHLVDSPV-JOCHJYFZSA-N 484.408 6.635 50 40 JKGB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(Cl)cc1 97994597 MEBRTPAXXGKOME-WJDWOHSUSA-N 454.910 5.930 50 40 JKGB FC(F)(F)C(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)F 103528861 CIGOJCZEMQHHLS-REOHCLBHSA-N 491.988 5.846 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc2ccccc2c1 107716584 RAGOQNKQIRUTAY-QRVIBDJDSA-N 474.785 7.899 50 40 JKGB COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(I)c1O 108972433 GTQFIZMPVXPIFG-IZZDOVSWSA-N 466.325 5.272 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 408583898 YLHNKTOYOHLHIL-VXLYETTFSA-N 484.777 6.763 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Br)c1OCc1ccccc1 408725090 IZLDWMPPUPMBRA-ZMOGYAJESA-N 457.324 5.092 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408725701 MVEAFGHKSHKGOE-JCMHNJIXSA-N 471.513 5.681 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccccc1C(=O)O 408747600 QDKOITKYTPMFDT-ATVHPVEESA-N 464.319 5.101 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408787668 DJLZINXSGPHIKR-XCVCLJGOSA-N 460.100 5.309 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2C#N)c2ccccc12 408788313 JNSXMWJWNZEWJE-CIAFOILYSA-N 450.929 6.069 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1F 408794930 UEAXKPGOCAMKDW-RGVLZGJSSA-N 464.924 6.229 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OCC 408832347 RXIJXPZKGUTTJB-RCCKNPSSSA-N 476.960 6.262 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=N\NC(=O)c2cc3ccccc3o2)cc1 408859515 XQNPSHYPFCDDOJ-WGARJPEWSA-N 463.331 5.847 50 40 JKGB COc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 408872556 GJCIVUQNQUALGK-DHRITJCHSA-N 488.769 5.846 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 408889098 DPPWGEAEBQZWDX-HAVVHWLPSA-N 496.588 6.078 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)c(C)c1 408906776 DPYGECNELFZBFP-STBIYBPSSA-N 464.537 5.203 50 40 JKGB O=C(COc1ccccc1Cl)N/N=C/c1ccc(-c2ccc(Cl)c(Br)c2)o1 408910113 FUJXJOMIXAJOMM-AUEPDCJTSA-N 468.134 5.545 50 40 JKGB COC(=O)c1ccccc1-c1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)o1 408948442 ROVQKQRHZJPODS-MSXFZWOLSA-N 467.275 5.006 50 40 JKGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br 408953137 OVZKWPSKKPZSER-UYRXBGFRSA-N 465.395 5.042 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccc(Cl)cc1 408968308 VFQNGVDIPRBMRA-VFLNYLIXSA-N 486.330 5.746 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)cc1Cl 408989321 HJGHYMBXLKSTKT-MDWZMJQESA-N 496.957 6.456 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)c1 409047113 NBZHGSVRORXJOW-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3c(OCc4ccccc4Cl)ccc4ccccc34)cc2c1 409190220 QARSZOPZVWEWNV-LJUMEUDFSA-N 498.966 6.981 50 40 JKGB COc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1 409226165 PIPOTROUZHYHMY-ZRGSRPPYSA-N 477.731 5.639 50 40 JKGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br 409241129 RKWJSDKASOBGAE-GDNBJRDFSA-N 466.301 5.860 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)c1 409269646 LCFISCKAAPXOFV-ODLFYWEKSA-N 494.378 6.173 50 40 JKGB CCc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3cccc4ccccc34)cc2OC)cc1 409324946 WURZXTCVBLDDIA-JJIBRWJFSA-N 462.549 6.492 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)NC(=O)C[C@H]1c1ccc(Cl)cc1 409325163 XGBULSOWCJMLQU-AWEZNQCLSA-N 466.777 5.357 50 40 JKGB Cc1c(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)sc2ncnc(N)c12 409336242 TVRPHKBLFRTUON-FLUNURKVSA-N 473.389 5.060 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1cccc(F)c1 409389886 CTYRSCCCHVMZNO-SOFYXZRVSA-N 467.154 8.082 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(Br)c3)C3=C2C(=O)CC(C)(C)C3)cc1O 716492 DUMWBAVOIPAXQZ-JOCHJYFZSA-N 494.389 5.104 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1cccc(Cl)c1 1026375 VZILAHFGOGTEPF-QHCPKHFHSA-N 464.949 5.378 50 40 JKGB COc1cccc(-c2n[nH]cc2/C=N/NC(=O)c2sccc2OCc2ccc(Cl)cc2)c1 1389763 KIRJKTJTLAWFSV-LGJNPRDNSA-N 466.950 5.143 50 40 JKGB CN(CCCl)c1ccc(C2N(Cc3ccccc3)c3ccccc3N2Cc2ccccc2)cc1 1621679 ZCPRWMUZGPLAKD-UHFFFAOYSA-N 468.044 7.087 50 40 JKGB Cc1ccccc1N1C(=O)[C@H](Cc2cccc(Cl)c2)S/C1=C(/C#N)C(=O)Nc1ccccc1 2421957 XYOMBIKESBHAPI-HVBJHMBASA-N 473.985 5.713 50 40 JKGB Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)Oc3ccc([N+](=O)[O-])cc3Cl)c12 3427193 RKCUOJKAWLMEOS-UHFFFAOYSA-N 484.899 6.177 50 40 JKGB C/C(=N/NC(=O)CC(=O)N(C(=O)c1ccccc1Cl)c1ccc(C)cc1)c1ccc(Cl)cc1 5811253 FUKGXORJGACBEE-QRQIAZFYSA-N 482.367 5.406 50 40 JKGB O=C(NCc1ccc(Cl)cc1)Nc1ccccc1P(=O)(c1ccccc1)c1ccccc1 8445037 OYSAXDUNZHOSCJ-UHFFFAOYSA-N 460.901 5.301 50 40 JKGB CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCc5ccccc5)cc4)c32)cc1 9242436 DEFHFUROKZCXRS-RUZDIDTESA-N 478.552 5.663 50 40 JKGB N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@H]1c1cccc(OCc2ccccc2)c1 9693513 AOFLHJRMEUSSKV-DEOSSOPVSA-N 471.557 5.624 50 40 JKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3ccc(C)c(C)c3)ccc2O)cc1 10059255 CGQBSKDUEIFXKD-YVJCHTTPSA-N 458.562 6.467 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)NC(=O)C[C@H]1c1ccccc1F 12276865 GVVCFNBIMARTGH-ZDUSSCGKSA-N 483.874 5.208 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1cc(Br)ccc1O 14408615 QEDVIZVJPVGDBO-RPPGKUMJSA-N 482.765 5.575 50 40 JKGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC 16185102 BMJUOXYYQOLDFW-DHDCSXOGSA-N 459.727 5.059 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC 16439193 XTJWLOSVEZJBOO-WUXMJOGZSA-N 470.150 5.709 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 16439616 YVTOKJXPHDVMKK-GZTJUZNOSA-N 498.322 6.035 50 40 JKGB C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 19949336 JKUXVUUNVHBYLE-QUPMIFSKSA-N 491.657 5.337 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 35145110 UOIMFSUASYPYJM-IDUWFGFVSA-N 489.742 7.207 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 59334488 PBYKWWIBKNJZCC-NDENLUEZSA-N 468.384 5.975 50 40 JKGB N#CC(C#N)=C1C=C2C=C(N3CCN(C4=CC5=CC(=C(C#N)C#N)CC[C@@H]5CC4)CC3)CC[C@H]2CC1 101836218 UTPOJIRZARNFTF-FGZHOGPDSA-N 474.612 5.320 50 40 JKGB N#C/C(=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 107818350 NCTGSLOPFXJWTG-QNGOZBTKSA-N 451.438 6.299 50 40 JKGB Cc1ccc2[nH]c(/C(C#N)=C\c3cc(Cl)c(OCc4ccccc4Cl)c(Cl)c3)nc2c1 108953416 NNTXVZCXRZZCAT-MFOYZWKCSA-N 468.771 7.475 50 40 JKGB C[C@@H]([C@@H]1CCC[C@@H]1P(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1 138089832 IHERDRRKNNMAEF-YYXXCONNSA-N 478.641 8.824 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(C#N)cc3)c3ccccc23)cc1 216067473 PTNVQUIONOBCSF-UXHLAJHPSA-N 450.542 5.422 50 40 JKGB Cc1cc2c(cc1/C=N\NC(=O)COc1cccc(Br)c1)[C@@H](C)CC(C)(C)N2C(C)C 223595380 OOSNONCYBVTRCS-RDEZCIGGSA-N 486.454 5.787 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(OCC)c1OCc1ccccc1 408566482 GUAQFOZSVBSEQP-HMAPJEAMSA-N 453.517 6.472 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3C)n2)c1O 408724229 IJARXAGDPOQIQU-UXHLAJHPSA-N 476.536 5.479 50 40 JKGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2cccc3ccccc23)cc1)c1cccc(Cl)c1 408729699 IIDLMTNVUTULID-OGLMXYFKSA-N 492.000 5.223 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3Br)c2C)cc1 408744021 DFTWKERVFHBCHH-AQTBWJFISA-N 450.336 5.411 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C)c3)c(Br)c2)c1 408744213 DLSBLUBHJCPWTN-BKUYFWCQSA-N 491.385 6.281 50 40 JKGB N#C/C(=C/c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)Nc1cccc(Br)c1 408761550 FZBSNENHUVYTJN-NDENLUEZSA-N 481.353 5.869 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(=O)NCc1ccccc1 408762771 LDHDYVGFMXOELU-XDHOZWIPSA-N 480.351 5.234 50 40 JKGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c(C)n1-c1ccc(C(C)(C)C)cc1 408773452 RGIFMIJGYFBCEA-LLARIFRNSA-N 462.601 5.599 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccc(C)cc1 408780555 DNCGHIFJIRXIMQ-GRSHGNNSSA-N 457.368 5.167 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC(C)C)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 408784882 UULMAGMJXZYAPT-YBFXNURJSA-N 468.384 6.734 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408790605 SSPODZIYNCGHDO-DICXZTSXSA-N 467.056 8.280 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 408797405 RHWDKHWPYUBNLK-VCHYOVAHSA-N 455.316 6.566 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1c(C)ccc2ccccc12 408804056 VJACBAZVVUGVKH-PCLIKHOPSA-N 476.576 6.898 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1Cl 408806173 ACQAXVJWPXHCPC-LFIBNONCSA-N 498.366 6.669 50 40 JKGB Cc1cccc(COc2ccc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2)c1 408854098 XNXPTKJBAQKGLE-VQNDASPWSA-N 499.614 7.104 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1Cc1cc(C)cc(C)c1 408882160 LLEBFLGOZIOASZ-CIAFOILYSA-N 475.386 6.211 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2F)cc1Cl 408887079 NRVBTQODGOPIPJ-VCHYOVAHSA-N 455.316 6.566 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OC(=O)c1ccccc1 408889841 JTSBGJHPCWJCDR-SFQUDFHCSA-N 467.308 5.767 50 40 JKGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)c2C)c1 408941663 QCBPXITTYGBKHC-FDAWAROLSA-N 494.595 5.379 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3c(C)n(Cc4ccc(Cl)cc4)c4ccccc34)cc2c1 409187215 NNJCPEOROLSCCI-UHBFCERESA-N 485.971 6.560 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(F)cc3)c2)cc1OCC 409315519 VZMWUJNXDXLIIO-QRQIAZFYSA-N 450.510 5.356 50 40 JKGB COc1cc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1c(C)cc(C)cc1C 647840 DEERVTMUNPNKES-LXFBAYGMSA-N 478.596 5.793 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)cc1O 707307 QTSMAFVXJWDZRG-HSZRJFAPSA-N 463.965 5.304 50 40 JKGB Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 1888180 FWRNHZYVDYRWPT-YMGIJWJESA-N 491.975 5.853 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCc3ccccc3)N(c3ccccc3)C2=O)cc1C 2225848 UWQAUBASAGTUEK-CHTIKVTKSA-N 467.594 5.046 50 40 JKGB Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)nc2ccccc2c1=O 2231405 MBAKRLMDRFDVTQ-UVHMKAGCSA-N 497.407 5.243 50 40 JKGB Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccc(Cl)cc2Cl)nc2ccccc2c1=O 2705703 XHMPWTCMWVXDCI-UVHMKAGCSA-N 497.407 5.243 50 40 JKGB N#C/C(=C\Nc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2ccc(Br)cc2)cs1 11853127 SKGGQZBCUVBPCE-FMIVXFBMSA-N 484.728 7.221 50 40 JKGB CN(NC(=O)[C@H]1C[C@@H](c2ccccc2)N(c2ccccc2)O1)c1ncc(C(F)(F)F)cc1Cl 13399142 QFOKLZMNDZWBGK-VQTJNVASSA-N 476.886 5.173 50 40 JKGB Cc1c(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc2n1Cc1ccccc1C#N 13595783 LVPNGJBJJFRWQH-MUFRIFMGSA-N 485.385 5.325 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 15012381 RJWDINPDDBKOAZ-PDGQHHTCSA-N 481.321 5.721 50 40 JKGB Cc1c(/C=N/NC(=O)c2sc3ccccc3c2Cl)c2ccccn2c1C(=O)c1ccc(F)cc1 15910965 FQDFUTQPRBPZGB-IPPBACCNSA-N 489.959 6.250 50 40 JKGB Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3C)c2C)c1 20243624 VPNPQHIZDFCYOZ-UVHMKAGCSA-N 498.490 6.165 50 40 JKGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)[C@@]1(C)CC[C@H](c2nc3ccccc3[nH]2)C1(C)C 22704675 CBYGKVKPYJMJIG-GREPWXSGSA-N 468.605 5.426 50 40 JKGB O=C(O)c1ccc(Cn2cc(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)c3ccccc32)o1 33776176 XGWYTOJYKFHEBA-KBKYJPHKSA-N 461.861 5.144 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(I)c1)c1ccccc1F 35078268 SCGJMTWLUMBPHR-YVLHZVERSA-N 473.260 6.213 50 40 JKGB CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 38680401 WQYDGAINMWKOQO-HSZRJFAPSA-N 478.907 5.704 50 40 JKGB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccc(OC)c(OCc2ccccc2)c1 40161158 JMTFSSRYFMZEQR-BKUYFWCQSA-N 458.514 5.186 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(F)cc1 59224691 MWMBDXGKCDYOMO-WOJGMQOQSA-N 470.422 5.978 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(Cl)cc1 59334715 KVKJWOHTFMIWDH-SXGWCWSVSA-N 463.759 5.075 50 40 JKGB C[C@@H]1[C@@H](C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1(Br)Br 95749427 PIPWLIJJJNWSQC-XMSQKQJNSA-N 489.211 5.733 50 40 JKGB COc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccc(OC)cc3)C3=C(O)CC(C)(C)CC3=N2)cc1 102587288 GWWNBOWVFMSSCD-RUZDIDTESA-N 488.609 6.225 50 40 JKGB COc1cc2c(OC)cc1[C@@H](Br)[C@@H](Br)c1ccc(cc1)[C@H](C)[C@H]2C 104429884 IXOJPPZTKGLJHW-DRLYEABHSA-N 454.202 6.497 50 40 JKGB CCCCCCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1 105519288 MHJANDZGJUIWRZ-PGMHBOJBSA-N 469.423 7.043 50 40 JKGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 107812911 WFIQQAWKWRWCKM-STKMKYKTSA-N 498.586 6.534 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc(OCc2ccccc2)cc1 408544887 VVBYKGBFXYFPGI-XYGWBWBKSA-N 491.547 5.917 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCc1cccc(Cl)c1 408579235 DZRHMFWFRJTMMK-KEBDBYFISA-N 468.778 7.063 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)c2ccc(Br)cc2)cc1 408580704 RBSYHODGTVQYTN-XQNSMLJCSA-N 454.367 7.554 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408763240 RVENVNLWNWAMRI-LDADJPATSA-N 480.351 5.865 50 40 JKGB C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1 408767246 KQVOIQAYANUQPY-SGWCAAJKSA-N 477.630 5.028 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(I)cc1)C(=O)Nc1ccc(O)cc1 408788131 IMWTXFKPEVWJRZ-QGOAFFKASA-N 496.304 5.121 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1c(C)cc(C)cc1C 408811042 NGZOKLAVPMJVMY-VUEBRRCKSA-N 468.597 6.374 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 408811434 QZKYTNNBIHJFED-RCCKNPSSSA-N 470.931 7.065 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC#N 408852809 ILUDKICRYHMJNJ-QXPFVDMISA-N 474.564 5.848 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1Cc1cc(C)cc(C)c1 408872901 KWDUJSVBJRGHIN-ZVHZXABRSA-N 458.989 6.800 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(Sc3ccc(Cl)cc3)o2)c(OC)c1 408878122 ZYGBWBZGKBPIQG-LFIBNONCSA-N 454.935 5.325 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)c1 408885792 ATTFNLCXLZWYMI-MDWZMJQESA-N 450.130 5.074 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1 408891758 UWJNENXRGSZJIY-CJLVFECKSA-N 480.495 5.890 50 40 JKGB Cc1ccc(CN(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 408934999 FAWQFZFGTGZVCU-LQKURTRISA-N 498.048 5.113 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)c2C)c(C)c1 408937348 QKPYIHCKRFMEBB-PPDIBHTLSA-N 488.371 5.025 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1Cl 408990217 WFDNSTBJUQHHIJ-RQZCQDPDSA-N 458.776 6.908 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OC)c1OC 409037910 OEANDKKBFJMUTB-MIXAMLLLSA-N 451.526 5.411 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)c2nc3ccccc3o2)cc1Br 409056333 LOBRJASGSGYSCK-MDWZMJQESA-N 462.141 6.206 50 40 JKGB COc1cccc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)c1OCc1ccc(Cl)cc1 409077452 FDQVYDAFAJPXFF-CCVNUDIWSA-N 451.954 5.107 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccc2ccccc2c1 409190105 WJCZCOQRKIGVMO-XKZIYDEJSA-N 460.961 6.047 50 40 JKGB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)o1 409191357 WJZIOCQESAPVAA-KIBLKLHPSA-N 481.719 5.223 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 409245308 QRENKYNFLCVQSL-KGENOOAVSA-N 452.385 6.057 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccc(OCc4ccc(Cl)cc4)c3)CC2=O)cc1C 409260295 OEQOFNQNUDNWJX-HRMYGOSUSA-N 475.976 5.039 50 40 JKGB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccccc1OC(C)C 2670142 OYMVUMJIYACSOP-KGENOOAVSA-N 474.582 6.233 50 40 JKGB COc1ccc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccccc1Cl 2769727 KEQMUOXTPUGDRA-CPJSRVTESA-N 470.960 5.521 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2C)cc1 3188416 JSAWWLWJQOPUBT-CPNJWEJPSA-N 481.524 5.741 50 40 JKGB O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3350585 QGAKUTWPVNZHII-IPPBACCNSA-N 453.851 6.338 50 40 JKGB CN(/N=C(\CBr)c1ccc(Br)cc1)C(=S)Nc1ccc(F)cc1 4289072 CRVMGKAWRXYGBT-RCCKNPSSSA-N 459.182 5.016 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)cc1 10476011 VEPMUSYHFPEYBH-OGLMXYFKSA-N 466.965 5.409 50 40 JKGB CCOC(=O)Nc1sc(/C(C#N)=C/c2ccc(C(=O)OC)cc2)nc1-c1ccc(Cl)cc1 15226400 BCPHRKLSWNNAGG-SFQUDFHCSA-N 467.934 5.883 50 40 JKGB Cc1cc(C(=O)N(NC(=O)C(O)(c2ccccc2)c2ccccc2)[C@@H](C)c2ccccc2)cs1 22002036 GDATVQRHSVUJQS-NRFANRHFSA-N 470.594 5.227 50 40 JKGB N#C/C(=C\c1ccc(Cl)cc1)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1 27023412 VZWTXGMXDDAUKZ-FOWTUZBSSA-N 482.417 7.495 50 40 JKGB CCOc1ccccc1/C=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 31870553 PJVFXXVEZQCXLK-YUMHPJSZSA-N 492.004 5.229 50 40 JKGB CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OC 33458586 UNDJDGPEFJIWRL-ATDKOCKZSA-N 463.759 5.834 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccc(F)cc1 33532386 DSNRVGCLYPTFQZ-MZJWZYIUSA-N 493.516 5.690 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1 59116776 HDABDGPFOLVFON-QGOAFFKASA-N 451.295 5.713 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1OCc1ccc(Cl)cc1Cl 101078713 KCRJPLAKSDPOOS-APTGGZMNSA-N 475.416 6.248 50 40 JKGB Clc1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(Cl)o2)cc1 101435493 AMFMATOAACRWGH-UHFFFAOYSA-N 475.335 6.268 50 40 JKGB Cc1c(OCC(F)(F)F)ccnc1C[S@@](=O)c1nc2ccc(O[Si](C)(C)C(C)(C)C)cc2[nH]1 206561987 ZZJAXCWRAVWBSG-JGCGQSQUSA-N 499.631 5.899 50 40 JKGB in-vitro Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cccc(Br)c1)[C@H](C)CC(C)(C)N2C(C)C 223605839 WYFSKWUFTCEWDT-HDOAHBKWSA-N 480.450 6.804 50 40 JKGB CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 408539593 IJKNSGXVTFTABW-UCQKPKSFSA-N 478.343 5.089 50 40 JKGB CCOc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c2ccccc12 408570850 ZIKSCUXBBTUEEE-MFKUBSTISA-N 452.601 5.246 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 408598532 CLXDVRFYZULEQI-GRSHGNNSSA-N 458.772 7.689 50 40 JKGB O=C(O[C@H](C(=O)c1ccccc1)[C@@H](Br)c1ccccc1)c1ccc(Br)cc1 408688213 WNGUPILGSMHKRV-FPOVZHCZSA-N 488.175 5.994 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)cc1 408743282 FMWIYCNWBJOCLI-XYGWBWBKSA-N 478.548 6.372 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)cc1 408745423 SAODMBOKOADGIE-PGMHBOJBSA-N 469.972 6.596 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1cccc2ccccc12 408758453 KEPIQWSJGCSBKI-CAPFRKAQSA-N 499.504 5.061 50 40 JKGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3cc(Cl)cc(Cl)c3Cl)c2C)cc1 408761235 CROWJVSCCIAXHK-KKMKTNMSSA-N 478.807 6.146 50 40 JKGB N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 408765358 LFGAZAOKDKKLIQ-SFQUDFHCSA-N 489.362 6.132 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1OCC 408771616 HPOWGENTBBUZQG-ATVHPVEESA-N 470.367 5.024 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1 408775517 HVWVSXDZYHWBAI-JWGURIENSA-N 492.406 5.828 50 40 JKGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C 408784949 XBADPWJEEQZDTG-OPEKNORGSA-N 484.785 5.230 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(I)cc3)o2)cc1 408787874 HDQBDVRYYPRXAV-FOWTUZBSSA-N 454.267 5.405 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1 408787899 HKNRCJQPZYQPKG-MFKUBSTISA-N 496.994 7.189 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1ccccc1Cl 408790491 WNELCCQLQIEPDT-LICLKQGHSA-N 468.296 6.026 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408798925 XIMQEOIGTZVIBC-VCHYOVAHSA-N 497.334 5.825 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 408813994 GLNAFPXOHAQAPS-RCCKNPSSSA-N 487.386 7.580 50 40 JKGB CCc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1 408816308 JHVKKIQSOCCSDI-WGARJPEWSA-N 464.363 5.929 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccccc2F)c1 408826987 UJZDMVHTXKBXNQ-UNOMPAQXSA-N 465.322 6.021 50 40 JKGB Cc1cc(/C=C(\C#N)c2cccc(Br)c2)cc(C)c1OCc1ccc(Br)cc1 408859733 YOXKUFFGZKGKQI-CIAFOILYSA-N 497.230 7.472 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1c(Cl)cccc1Cl 408882144 QCHYVMPOTXWYCH-WKULSOCRSA-N 479.363 6.498 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3cccc(F)c3)c(OC)c2)cc1 408882471 QAJJECCDXYJLCS-VXLYETTFSA-N 478.907 5.411 50 40 JKGB N#C/C(=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408890012 MOGITJDBGFOJSG-LZYBPNLTSA-N 479.279 6.111 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)c(F)c1 408965397 GVTGXYLJMRYQTK-IPBVOBEMSA-N 486.286 5.045 50 40 JKGB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2Cl)cc1 409221723 AFJDPPCAWPPYFE-YBFXNURJSA-N 494.378 6.173 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc2ccccc2c1)C(=O)Nc1cccc(C(F)(F)F)c1 409227574 QBOYETXSXJRIEG-HAHDFKILSA-N 472.466 6.983 50 40 JKGB COc1cc(/C=C(\C#N)c2cccc3ccccc23)cc(Cl)c1OCc1ccccc1C#N 409310136 QWOILDIYNPQQKA-YDZHTSKRSA-N 450.925 7.017 50 40 JKGB COc1cc(C(=O)N/N=C\c2ccccc2OCc2cccc(F)c2)ccc1OCc1ccccc1 409316021 KDYBKMUBIJDVJD-MNBJERMJSA-N 484.527 5.756 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)cc1OC 409322889 YLIWRGHLWOSPPR-YSMPRRRNSA-N 483.362 5.199 50 40 JKGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)N2CCCC2)c(OCc2ccc(Cl)cc2Cl)c1 409368821 OBQJJOBNITXYGZ-DEDYPNTBSA-N 472.416 5.948 50 40 JKGB COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c1C 409389867 AVEAPPCKLOBUNV-NDZAJKAJSA-N 465.553 5.163 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cn(CCOc3cc(C)ccc3C)c3ccccc23)cc1 781534 IKHSWMAHXQCXTF-XLNRJJMWSA-N 465.553 5.891 50 40 JKGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c(OCC)c1 958019 JDDMQOFKRDFMKQ-FUZKNQEWSA-N 458.514 5.191 50 40 JKGB COC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccccc1Cl 1245474 ANKKRAKTMXCJCD-NRFANRHFSA-N 488.396 5.234 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)c1 2301415 OTHCGQIGVCNECU-XMHGGMMESA-N 482.515 5.363 50 40 JKGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1cn(Cc3ccccc3)c3ccccc13)CO2 4468591 DXCCZWZGJYTCBI-YFURQYOFSA-N 467.569 5.277 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3Cl)CC(=O)N2)c1C 9011951 FUHFHPMEPVUZIV-INIZCTEOSA-N 460.386 5.321 50 40 JKGB O=C(N/N=C/c1cc(Cl)ccc1OCCOc1ccc(C2CCCCC2)cc1)c1ccncc1 9730869 LQBNOEJXAXYELG-NDZAJKAJSA-N 477.992 6.004 50 40 JKGB COc1ccc(Oc2ccc(-n3c(C)cc(/C=C(\C#N)C(=O)NCc4cccs4)c3C)cc2)cc1 9762522 CYWGIZWETDWJOT-CJLVFECKSA-N 483.593 6.180 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccc2c(c1)OCO2 9886226 FFRXSFDKSAAVQL-LUOAPIJWSA-N 466.324 5.489 50 40 JKGB CCCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(Cl)cc2)cc1OCC 12276007 GCDFMQNZLIBDGQ-UQBPGWFLSA-N 485.005 5.171 50 40 JKGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\c2cc(Br)c(Br)o2)cc1 12362701 QLEQWJISSOLVRA-OMQFLOLPSA-N 468.189 5.356 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCOC)cc1C 26687269 MTHOTGMHHWYUFR-NKFKGCMQSA-N 472.589 5.086 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(OC)cc3)C(=O)N2c2ccccc2)cc1 27460943 VQJTWCVBZOJFDI-UZEPBSNMSA-N 483.593 5.323 50 40 JKGB Cc1ccccc1CSCC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 28215850 LICUDVAHVBIWJY-RPPGKUMJSA-N 460.430 6.093 50 40 JKGB CCCCCCCC(=O)NNC(=O)c1ccc(NC(=O)c2ccc(NC(=O)CCCCC)cc2)cc1 33353996 JIUGNDWRIHQCKJ-UHFFFAOYSA-N 494.636 5.579 50 40 JKGB biogenic Cc1c(/C=N/NC(=O)COc2cc(Cl)ccc2Cl)c2ccccc2n1Cc1ccccc1 33716004 MLLLJLPPALKLJA-CCVNUDIWSA-N 466.368 5.834 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)c1ccccc1F 35404315 XJMNVMOXGJXQSL-HMAPJEAMSA-N 458.330 7.385 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccs2)c(Br)cc1OCc1cccc2ccccc12 59197880 HPXIHOHYEKPZGZ-VULFUBBASA-N 495.398 6.015 50 40 JKGB CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N/N=c1/cc(C)c2cc3c(cc2o1)OC1(CCCCC1)CC3 80324639 VWBLBGJUDGGAAQ-SYYSWTDVSA-N 483.609 5.004 50 40 JKGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 83301756 ZZACQQYGMVCHSL-GLYRRZRCSA-N 466.965 5.282 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc3ccccc3c2)N=C2CCCC(O)=C2[C@@H]1c1ccco1 102932131 FANSOSNHTHPJRM-DEOSSOPVSA-N 455.539 6.074 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccc(Cl)cc1 107582547 HPVKKTPQFRERGB-LGJNPRDNSA-N 495.944 5.814 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc(F)cc1 107893487 RUDPFAXNCIWVCQ-GRSHGNNSSA-N 494.906 5.701 50 40 JKGB Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(OCC(=O)Nc4ccc(F)cc4)c(Cl)c3)nc2c1 108198268 YPGBSBKMZDXXSH-BOPFTXTBSA-N 460.896 5.746 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1 408567453 NMENJIVZZNHKDC-LQKURTRISA-N 495.417 5.736 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 408747051 YMJMLCPOFBOQOE-ODLFYWEKSA-N 467.352 6.435 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c1 408792626 BLPMRBVVSJRCNQ-VXLYETTFSA-N 469.343 6.874 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1 408808922 GLUJAZPAIABAES-SDLXJUDFSA-N 461.359 5.812 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(C)c1OCc1ccc(Cl)cc1Cl 408859564 YFGJPUZXCGJIFC-YBFXNURJSA-N 485.798 7.388 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(Cl)c2)cc1 408874210 ZZPNBEWMMVFSLL-DEDYPNTBSA-N 495.804 6.638 50 40 JKGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1ccc(-c2cccc(Cl)c2)o1 408874611 CMSKUEBCSWGHAD-RMORIDSASA-N 457.715 5.083 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)C(=O)Nc1cccc(Cl)c1 408889119 DUQFXOZNFDSSBY-RQZCQDPDSA-N 457.744 6.771 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408889639 IGSAPZJRTMYAQG-LICLKQGHSA-N 498.322 6.035 50 40 JKGB Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)cc2)cc1 408891429 QJVPXWMWUBMLRD-QGOAFFKASA-N 451.309 6.067 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c[nH]c3ccc(OCc4ccccc4)cc23)cc1 408900048 SLBWYJCOCRYIDU-KGENOOAVSA-N 465.509 5.469 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)cc1 408985840 NPHYOZKJDYBCFB-RDRPBHBLSA-N 466.541 5.284 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1cccc(F)c1 409142234 WZDRXMJYDNCFFE-JOCHJYFZSA-N 468.912 5.272 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12)c1ccccc1 409231306 JSRMNKBCBNFPPL-SLOMDMAXSA-N 482.971 5.718 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1C#N 409245432 SWIGSONXGJANFA-RIMPEIONSA-N 485.971 5.974 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(Cl)cc1 409348440 PGSFOLZHTFCDGH-MFOYZWKCSA-N 493.615 8.052 50 40 JKGB C#CCOc1ccc(Br)cc1/C=C(/C#N)c1ccc(I)cc1 409368759 KZJORAJEFUANPV-GDNBJRDFSA-N 464.100 5.130 50 40 JKGB CC(C)(C)[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1P(c1ccccc1)c1ccccc1 1857795141 OMJJGAYXCQDARO-VVFBEHOQSA-N 451.616 5.584 50 40 JKGB O=C(N/N=C/c1cccc2ccccc12)c1nn(Cc2ccc(Cl)cc2)cc1Br 1092004 UNQBSEGBHXQMSA-BRJLIKDPSA-N 467.754 5.264 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2ccccc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 1835845 AXTVXJXPVSOBMV-AFUMVMLFSA-N 456.015 5.158 50 40 JKGB Cc1ccccc1N1C(=O)[C@@H](Cc2cccc(Cl)c2)S/C1=C(/C#N)C(=O)Nc1ccccc1 2421955 XYOMBIKESBHAPI-GFPZRUSRSA-N 473.985 5.713 50 40 JKGB O=P(C(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)(c1ccccc1)c1ccccc1 2577641 UUHIEAQHGNHXHY-UHFFFAOYSA-N 473.378 6.435 50 40 JKGB N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c1 2805799 NCMJIHFQOMXSRB-BRJLIKDPSA-N 455.257 5.329 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1c(C)n(Cc2ccc(C)cc2)c2ccccc12 8812963 OFFUYBVJVDDOBH-RWPZCVJISA-N 490.401 5.841 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccncc2)cc(Cl)c1OCCCOc1ccccc1Cl 8875001 KEHAINKNKUFFHU-JFLMPSFJSA-N 474.344 5.009 50 40 JKGB COc1cc([C@@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)ccc1OCc1ccccc1 9693529 QLSGJUQLIGCBCG-QHCPKHFHSA-N 483.593 5.494 50 40 JKGB Cc1ccc(C(=O)Nc2cccc(/C=C(\C#N)S(=O)(=O)c3ccc(Br)cc3)c2)cc1 9704298 ICWROCBWLPNZNM-HYARGMPZSA-N 481.371 5.348 50 40 JKGB COc1cc(Br)ccc1OCC(=O)N/N=C(\C)c1ccc(-c2ccccc2)cc1 12362340 HVPKIWDMJPYWJP-PCLIKHOPSA-N 453.336 5.044 50 40 JKGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)cs1 14356889 ZCXCWFKUFDUILD-MHWRWJLKSA-N 485.396 7.080 50 40 JKGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 14407874 YMHUKCYNOBKOFJ-STBIYBPSSA-N 462.509 5.444 50 40 JKGB C[C@@H]1C[C@@H]2C(=CCCC2(C)C)C[C@@H]1/C=N/NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 15134582 VBYMCZWEOZFNSW-PIAZQSFESA-N 471.645 5.445 50 40 JKGB C[C@@H](/C=C(\C#N)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1)c1ccccc1 27024773 SODJDTCBBZWDDH-TWQQJCIXSA-N 476.026 7.488 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)CC)cc2)ccc1OC(=O)c1ccc(Cl)cc1 33332800 BIAROGKJGQGSJJ-NTFVMDSBSA-N 493.947 5.070 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1cccc(C)c1 33731436 LDMFHOBMCUIRAY-JAIQZWGSSA-N 488.385 6.594 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 34764027 MWWVMSXYGXWJIG-OCKHKDLRSA-N 464.861 5.598 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSCc3cc(C)cc(C)c3)o2)cc1 58915597 LQZXSEAVLSGZHK-VULFUBBASA-N 450.560 5.124 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc3c(c2)OCO3)cc1)C(=O)Nc1cccc(Cl)c1Cl 59336145 HXFMKTYWWDFIQO-YVLHZVERSA-N 467.308 5.847 50 40 JKGB O=C(CCl)Nc1c(Oc2ccccc2)cc(Oc2ccccc2)c2c1C(=O)c1ccccc1C2=O 78546383 VTZGQZNPVVDOLQ-UHFFFAOYSA-N 483.907 6.224 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)sc2c1CCCC2 96499201 RUFCYYMQRAPFIW-MBTHVWNTSA-N 489.597 5.721 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C\c1ccccc1Sc1ccccc1 408570803 YUEALFWFPUSNMJ-XYGWBWBKSA-N 466.653 5.846 50 40 JKGB Cc1c(/C=C(\C#N)c2ccc(Cl)c(Cl)c2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 408585408 DAGRQSXOHIYRRU-WOJGMQOQSA-N 486.229 8.676 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408747055 YPDRLGQEJDIXKF-BOPFTXTBSA-N 474.429 5.158 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc3ccccc3c2)cc1 408760881 APMXHPMQDHRNDX-CJLVFECKSA-N 484.533 5.162 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 408791098 TYZLEYWGTZMNEC-WOJGMQOQSA-N 455.316 6.566 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408792793 COYLUVCZZGDIIJ-LTGZKZEYSA-N 499.364 6.834 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1)C(=O)Nc1ccccc1F 408814282 PBMSSRYJXIFEND-APSNUPSMSA-N 485.298 5.986 50 40 JKGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OC 408833644 SAJYCNGFJCRKAI-XQNSMLJCSA-N 452.510 5.140 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1ccc(Cl)cc1Cl 408881075 MANQPERGBGWPAT-KBKYJPHKSA-N 468.167 6.643 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc([N+](=O)[O-])cc1 408890513 UYFOBJFAUSYGES-PXLXIMEGSA-N 479.492 5.881 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OS(=O)(=O)c1ccccc1 408890953 IXUXJMFRTJLQBJ-XMHGGMMESA-N 496.972 5.361 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccc(F)cc1 408905424 YLFGLYDXEKMEIT-VYYCAZPPSA-N 477.448 5.222 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1cc(F)c(F)cc1Cl 408972831 GACMGCWJYLXFKW-RIYZIHGNSA-N 465.843 5.786 50 40 JKGB C#CCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)c2cccc(C)c21 409034786 ODUKSTMAFRGEEY-MZFJOGFUSA-N 486.575 5.879 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1 409042476 NCQOQUPKWUKFEB-GIJQJNRQSA-N 471.771 7.080 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)c1 409047312 ODRSXADLUCMREE-WOJGMQOQSA-N 490.903 5.120 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409067182 BUQTVAAGHSDDNY-HZHRSRAPSA-N 483.524 5.765 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Oc1ccc([N+](=O)[O-])cn1 409235899 CUNQAFAJCKPNGS-DHDCSXOGSA-N 484.390 5.355 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1 409251039 NZOHXNBNSIPIIR-CJLVFECKSA-N 469.541 5.265 50 40 JKGB Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(C)c1 409261681 CSDAMSAAPNCEAW-XSFVSMFZSA-N 459.933 5.520 50 40 JKGB O=C(CNc1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 409378352 OOGIENQHUBHNDL-MUFRIFMGSA-N 488.385 5.744 50 40 JKGB CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1 1772156 LTKKPLIKIHDJFM-TURZUDJPSA-N 497.620 6.303 50 40 JKGB CCCCP(=O)(CCCC)Cc1ccccc1OP(=O)(c1ccccc1)c1ccccc1 2305594 XLINRSZDXFIEOT-UHFFFAOYSA-N 468.514 7.458 50 40 JKGB biogenic N#C/C(=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1cccc(Cl)c1 2775775 NIUTWAJTGAYDPL-PXLXIMEGSA-N 461.952 7.042 50 40 JKGB CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3)c3ccccc23)cc1 6144160 DXEQLSJDLNJDQB-MOHJPFBDSA-N 477.564 6.192 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccccc1 9311310 GPSGRYBTTHEMDH-WOJGMQOQSA-N 481.321 5.721 50 40 JKGB CCOc1cc(/C=N/NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1ccc(C)cc1 9323924 NADBARFPIMWOOO-JFLMPSFJSA-N 496.405 6.199 50 40 JKGB CCS/C(NC(=O)c1ccccc1)=C(\C#N)[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl 9347652 HQCYGORNQDHOBW-QRPHSONGSA-N 475.013 6.615 50 40 JKGB N#C/C(C(=O)c1c[nH]c2ccccc12)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 11851796 ZKCBSZUYPQOPOY-RDKICWGTSA-N 467.525 5.616 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1 13058113 FEVDLCQKYIWKDB-XDHOZWIPSA-N 477.314 5.272 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 16411796 WLQWJFKRORHQQI-XNTDXEJSSA-N 466.291 5.780 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1 20347553 LKJVUKBILMLTAJ-RUZDIDTESA-N 484.581 5.295 50 40 JKGB CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCOC)cc1 26779594 YBFGGPPYPIQTAL-RELWKKBWSA-N 474.630 5.491 50 40 JKGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)c(OC)c1 33375478 NYOCVBHKWLIVGA-STBIYBPSSA-N 470.525 5.209 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 59117268 SLKDMIDZBLFYHA-UYRXBGFRSA-N 467.352 6.517 50 40 JKGB COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)/C(C#N)=C/c2ccco2)[C@@H]3c2ccc(OC)cc2)cc1 67321608 DHWUBFOYUAUVOK-CLXSNERXSA-N 493.563 6.027 50 40 JKGB ClC[C@H](CN(Cc1cccc(Br)c1)Cc1cccc(Br)c1)n1cccn1 69567481 WRVMETZUWBGUDY-HXUWFJFHSA-N 497.662 5.890 50 40 JKGB CC(C)(C)Oc1ccc(P(c2ccc(OC(C)(C)C)cc2)c2ccc(OC(C)(C)C)cc2)cc1 100088709 UGNAOCDIZFIEQK-UHFFFAOYSA-N 478.613 6.977 50 40 JKGB CCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)F 103528659 OYPPJGXREVFCPD-FQEVSTJZSA-N 476.449 9.394 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccc(Cl)cc1Cl 107682817 HKKUZZOBZBKVPS-MFOYZWKCSA-N 476.762 7.828 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Cl 107982673 VZZDHPXMCUGZOD-PDGQHHTCSA-N 475.372 6.285 50 40 JKGB Cc1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2Cl)cc1C 199401128 SJQUFCNDJFGADB-DEDYPNTBSA-N 450.922 5.231 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCC)c3ccccc23)c(C#N)c1C 408547047 QYEBBWRPBFDNKH-LDADJPATSA-N 458.539 5.376 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)c1nc2ccc(F)cc2[nH]1 408569005 LXMSMMWCVRLSGU-MTJSOVHGSA-N 498.355 7.261 50 40 JKGB O=C(N/N=C\c1c(O)ccc2ccccc12)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2 408734238 KZRBOBITCNCMLW-MUXKCCDJSA-N 486.369 5.592 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)o1 408745750 VHGLGYKHTXFGOP-SDNWHVSQSA-N 452.264 5.471 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cccc(Br)c1 408747970 WJCCIEOBUOROQV-BOPFTXTBSA-N 499.206 6.165 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CCSc3ccc(Cl)cc3)c3ccccc23)c(C)c1 408786421 JUHMTNWZIUGLBT-PGMHBOJBSA-N 486.040 7.250 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1cccc(F)c1 408792545 KRTLKEFAAWXIDG-RGVLZGJSSA-N 464.924 6.311 50 40 JKGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408794857 KHIFXMSWCSXXIT-CAPFRKAQSA-N 465.465 5.979 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1OCc1ccc(Cl)cc1 408795227 LQULXLRQDYIOLE-KGENOOAVSA-N 474.944 5.907 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccccc1Cl 408795318 LMVDSEVVAAZHAL-LICLKQGHSA-N 469.324 5.832 50 40 JKGB Cc1cc(/C=C(\C#N)c2cccc(Cl)c2)cc(C)c1OCc1ccc(Br)cc1 408856236 PUYFVARIRDGCAB-CIAFOILYSA-N 452.779 7.363 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2F)cc1C 408883348 QTPSIFLLUJUGNZ-XQNSMLJCSA-N 450.513 6.720 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c(C)c1 408908730 RSBWBQDZOCKISL-AJBULDERSA-N 466.581 6.209 50 40 JKGB CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(Br)c(Sc3ccc(C)cc3)o2)c1 408913731 NIXUVDYEODLFNQ-MXAYSNPKSA-N 487.419 5.902 50 40 JKGB CCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1O 408936157 FQVSMMPVRULLPN-QRQIAZFYSA-N 484.512 5.229 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1cccc(C(F)(F)F)c1 408962908 LAPABVOONLKRDI-XODNFHPESA-N 466.419 5.381 50 40 JKGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br 408983003 JNKLNLMGTGLVEL-ZSOIEALJSA-N 466.162 6.175 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1nc2ccccc2[nH]1 409048164 QUBJCPPULJDYHG-VIZOYTHASA-N 489.189 7.820 50 40 JKGB COc1cc(/C=C(\C#N)c2ccccc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409093296 ZUMSFHCMMOEWDH-CXUHLZMHSA-N 474.822 7.132 50 40 JKGB CCOc1ccc(-n2c(C)cc(C=NNC(=O)c3cc(-n4c(C)ccc4C)ccc3Cl)c2C)cc1 409187365 PLLYRXSHGQTMRL-UHFFFAOYSA-N 489.019 6.318 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)cc2c1 409187405 QAIGTQRVTUZAMT-MSXFZWOLSA-N 453.838 5.417 50 40 JKGB CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)o1 409190930 BPVIYSPTBLENRD-PPDIBHTLSA-N 485.323 6.329 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1cccc2ccccc12 409228962 HSLWWVBKZGOMGS-LJUMEUDFSA-N 490.962 6.303 50 40 JKGB CCc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 409362009 FDYXNWYDVSPRES-OKCVXOCRSA-N 478.423 6.560 50 40 JKGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(COc2ccccc2Br)c(C)cc1C 650702 FWRLEQINLDDWRZ-HSZRJFAPSA-N 497.389 5.290 50 40 JKGB Cc1c(Cl)cccc1N/C=C(/C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2276973 KDPVEONXIVPYDY-LGMDPLHJSA-N 469.953 7.008 50 40 JKGB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1Cl 2384380 DISBWQSPLGQVDR-FQEVSTJZSA-N 462.764 5.782 50 40 JKGB CCN1C(=O)/C(=N\NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c2ccccc21 3303735 VBIMPEQBHDJNCQ-QYQHSDTDSA-N 472.595 5.089 50 40 JKGB CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4cccc(OC)c4)o3)sc2c1 3667020 KVSCLBAHJAGOSJ-YDZHTSKRSA-N 453.545 5.212 50 40 JKGB O=C(CCC(=O)Nc1cccc2ccccc12)NN=Cc1ccccc1OCc1ccccc1 8399565 RLPYSKFURVJZCL-UHFFFAOYSA-N 451.526 5.288 50 40 JKGB CCCCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 8836359 MKWNLGHSPQJVMK-VZCXRCSSSA-N 469.372 5.115 50 40 JKGB O=C(Cn1ccc2ccccc21)N/N=C(/c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 8916656 VDEIDPOVGVGXGW-SNCSUOKWSA-N 489.419 6.248 50 40 JKGB O=C(CCn1c2ccccc2c2ccccc21)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21 8990100 QHWXSACSTALNNB-OVXWJCGASA-N 472.548 5.252 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC(=O)c1ccc(C)cc1 12585833 QCSHFLVTCROPTL-GIJQJNRQSA-N 481.335 6.075 50 40 JKGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 13893829 LMYNNBYHBSSHHI-NTEUORMPSA-N 455.293 5.026 50 40 JKGB Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3F)c2C)ccc1Br 19877505 MUKMLENGDHKMHK-LDADJPATSA-N 452.327 5.850 50 40 JKGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccccc3Br)c2C)c1 28216092 BLHRAPDEAOGNBC-LGJNPRDNSA-N 484.463 5.857 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(F)cc1 33562373 MGUFOTPYSQZSRE-QGOAFFKASA-N 493.922 5.441 50 40 JKGB C/C(=N\NC(=O)CSc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 58916958 FOEMBQDVOSBNER-RGLNYDMWSA-N 471.601 6.285 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccco1 58980124 SKUMNIQUOATWCC-LQKURTRISA-N 457.461 5.014 50 40 JKGB Clc1ccc(/N=N/c2ccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 100397975 HZIUDPIGMQUVPI-ULIFNZDWSA-N 491.962 8.565 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccccc1 107933395 PZYOGPIOUROSBO-UNOMPAQXSA-N 452.323 6.630 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1 408748140 ZBFHDNLDEFXPHL-WQRHYEAKSA-N 497.776 6.236 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(I)c1O 408758153 HAKMMMKFLPDRKS-RQZCQDPDSA-N 484.293 5.094 50 40 JKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)c1 408788164 ITQXEDAPKUXMBM-ZXVVBBHZSA-N 474.560 6.699 50 40 JKGB Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccccc3OCc3ccc(F)cc3)cc2)cc1 408823200 NARMUZKEDRBBGZ-NLRVBDNBSA-N 492.550 6.838 50 40 JKGB CCCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 408828007 LGHUXFQLMJGDGK-RCCKNPSSSA-N 476.960 6.262 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccccc2)c(Br)cc1OCc1ccccc1Cl 408844193 HGUQVJYUBVEFBV-UDWIEESQSA-N 468.778 7.144 50 40 JKGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 408851174 JDCNNRYHFBUYPE-YQYKVWLJSA-N 477.564 5.627 50 40 JKGB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)c([N+](=O)[O-])c1 408897064 QGLUHTWAKCUALL-FMIVXFBMSA-N 458.257 5.716 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1C 408922893 HLOSMARVVLMNOG-UDWIEESQSA-N 481.379 6.825 50 40 JKGB COc1ccc(CC(=O)N/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 408950686 UCUALXCQOFNKAZ-FMCGGJTJSA-N 479.783 5.548 50 40 JKGB CC(C)C[C@@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/C=C/c1ccccc1 409012132 HSJRKHGGTIARHV-POKOHEBESA-N 476.404 5.107 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1OCc1cccc(C(=O)O)c1 409238067 KCWYSSFKXNBDBN-UNOMPAQXSA-N 496.441 5.537 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3Cl)c2)cc1OC 409322527 LQXJPZPHTAXFFJ-YUMHPJSZSA-N 450.922 5.256 50 40 JKGB N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1ccc(F)cc1F 606422302 LTGSNWAIGPVHIO-NRFANRHFSA-N 483.268 5.165 50 40 JKGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 2054985 ZTUAAIMNWKKUQR-LQKURTRISA-N 477.948 5.308 50 40 JKGB CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 3201001 FDLAUCHRHKXDOE-AJBULDERSA-N 490.632 6.754 50 40 JKGB Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/NC(=O)c1ccc2ccccc2n1 3232923 HGYZISJLLNUFPB-KKMKTNMSSA-N 457.843 5.165 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccccc1Cl 4196291 JCWDEGORJBDQPZ-WOJGMQOQSA-N 497.776 6.236 50 40 JKGB C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccc(Cl)c(Cl)c1 5317691 LKDAZHBZBIMLCF-LQKURTRISA-N 483.424 6.024 50 40 JKGB COc1ccc(-c2nc(N)sc2CCC(=O)N/N=C(\C)c2ccc(C3CCCCC3)cc2)cc1 8430853 RZSJKVIZGBVYAW-UXHLAJHPSA-N 476.646 5.922 50 40 JKGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 8842915 KOUQIMDDXOCEPU-VFLNYLIXSA-N 481.301 6.284 50 40 JKGB CCCCOc1ccc(C(=O)NNc2nc(SC)nc3sc4c(c23)C[C@@](C)(CC)OC4)cc1 13555346 GGFMDUCGMRLONZ-XMMPIXPASA-N 486.663 5.590 50 40 JKGB CCCCCCc1ccc(OCCOc2ccc(/C=N/NC(=O)c3ccccc3)cc2OC)cc1 13940751 UJIZWXXFYSZDGL-JBASAIQMSA-N 474.601 6.040 50 40 JKGB C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1 20059977 KQCFSDUOWCBOAO-QUPMIFSKSA-N 491.657 5.337 50 40 JKGB COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc(Br)c1OCc1ccccc1 28217736 VMOLKHSGQPPBEN-CIRUFVMISA-N 499.430 5.668 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1cccc(C)c1 35176371 BOKHMDIFIUYLJU-DICXZTSXSA-N 481.936 5.227 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCc1ccccc1Cl 59117061 AYILPSCYXXIGLO-WOJGMQOQSA-N 453.325 6.127 50 40 JKGB CCOc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1OCc1ccc(Cl)cc1Cl 110919033 KCRJPLAKSDPOOS-SMHVYZBYSA-N 475.416 6.248 50 40 JKGB CCN1c2cc(C)c(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2C(C)=CC1(C)C 208524097 LFWAVPITYJENSB-AJBULDERSA-N 467.613 5.403 50 40 JKGB Cc1ccc(C(=Nc2ccccc2)N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 301054409 GRKPHEIHPBJWHB-UHFFFAOYSA-N 470.556 7.251 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1 408567282 CUAZLHSZFPWCNW-ZDLGFXPLSA-N 462.322 6.416 50 40 JKGB COc1ccc(/C(C#N)=C/c2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 408582708 PGQKXPHARSGXSP-OQKWZONESA-N 455.535 5.989 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccccc3Cl)c(OC)c2)cc1 408583427 UMUMKKJAFCKXMN-YBFXNURJSA-N 484.777 6.763 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)Cn1cnc2ccccc21 408691509 BFWOIRZZTYBOFX-ODLFYWEKSA-N 478.777 6.638 50 40 JKGB O=C(N/N=C/c1ccccc1O)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 408724228 IIODTMKMDHPAOT-TWKHWXDSSA-N 458.521 5.676 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)NCc1ccccc1 408747971 WJDKWNFXMPLDLH-GRSHGNNSSA-N 499.767 6.044 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1ccc(Br)cc1 408778095 AUYVKINYLKSVOI-WQRHYEAKSA-N 456.181 6.683 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)cc1 408789301 IRIWHLQAYJCCDZ-UDWIEESQSA-N 494.950 6.401 50 40 JKGB Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1 408799738 KQRZRQHDCCLOAR-UDWIEESQSA-N 451.353 6.735 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)cc1 408806387 JAKBEAFIHLLNEC-LDADJPATSA-N 453.325 6.127 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1cccc(Cl)c1Cl 408825473 DICOENNEUOQFLI-KIBLKLHPSA-N 455.172 6.472 50 40 JKGB CCOc1cc(C)c(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc1C(C)C 408853899 ZJAQIATVTWSBBL-AUEPDCJTSA-N 498.215 5.512 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)c([N+](=O)[O-])c1 408884571 XOFGFOXSITYZEO-LDADJPATSA-N 461.861 5.322 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1Cc1ccccc1Cl 408885398 ZFBVSYWYOPMBIH-UDWIEESQSA-N 465.380 6.837 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)cc1 408885671 DRJBEBDWHXJDBX-GZTJUZNOSA-N 487.364 5.615 50 40 JKGB Cc1cc(C)cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 408885746 ADUKGSUDZGUOKE-FYJGNVAPSA-N 450.460 6.447 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(Sc2ccc(C)cc2)o1 408909593 HHSUFWXQWZOUHO-FSJBWODESA-N 459.365 5.583 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)c2C)cc1Cl 408934915 DKKOWUMNHNYRDG-KBKYJPHKSA-N 477.779 5.452 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OC(C)C 408954545 RHMYFLLTPHIBBI-ODLFYWEKSA-N 451.954 5.273 50 40 JKGB COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408958635 ZQTXPWMCGIJIMO-AIPAZZCXSA-N 495.834 6.511 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(C#N)cc2F)c2ccccc2n1Cc1ccc(Cl)cc1Cl 408964986 FGOUDTMTWDDSCS-VVEOGCPPSA-N 479.342 6.080 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2C)c1C)c1ccccc1 408976694 BVQCLXWCSOIYFI-MRAZWZEMSA-N 460.578 5.039 50 40 JKGB Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1 409044234 URNOIWPRCQSLQD-GIJQJNRQSA-N 471.771 7.080 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Cl)c1OCc1ccc(Cl)cc1 409148123 OPAOOAYUWSHHMP-HSZRJFAPSA-N 483.351 5.895 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1C 409176443 NMFODSZOVNFYMO-IPPBACCNSA-N 464.396 6.306 50 40 JKGB COc1cc(/C=N/NC(=O)CNc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 409375309 IVVLFMABJMOPMA-UVHMKAGCSA-N 458.345 5.143 50 40 JKGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)c2C)c([N+](=O)[O-])c1 1175195 IYDFTRGVQGIENU-VCHYOVAHSA-N 464.909 5.518 50 40 JKGB N#C/C(C(=O)Nc1ccccc1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 1790550 FEBKCCPZRYCMSV-JSIHEXFSSA-N 477.948 5.544 50 40 JKGB COCCn1c(SCC(=O)NN(c2ccccc2)c2ccccc2)nnc1-c1ccc(Cl)cc1 3221995 SAPNMHCYILKXHR-UHFFFAOYSA-N 494.020 5.207 50 40 JKGB CCCCCCCCOc1ccc(/C=C2\C(=O)N(CCCC)C(=S)N(CCCCl)C2=O)cc1 8431336 VSPCOSGETBERFP-BSYVCWPDSA-N 493.113 6.194 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1cccc2ccccc12 8836025 PONSAYOVEVSACD-KOEQRZSOSA-N 478.668 5.925 50 40 JKGB CC(/C=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)=C\c1ccco1 9041264 XCDMWHWQLBBEBP-MPBWTNTLSA-N 465.025 5.374 50 40 JKGB N#CC(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)/C(O)=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F 9057488 UEOCVUIJVQFFIW-DHZHZOJOSA-N 496.228 7.376 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 9057507 KQEQPBADBVJPOV-CXUHLZMHSA-N 489.831 5.366 50 40 JKGB O=C(N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1Cl 9191770 VFFMZTCJRQUXDR-QVKATGLSSA-N 478.983 6.460 50 40 JKGB Cc1c(/C=N/NC(=O)CSc2cccc3ccccc23)c2ccccc2n1Cc1ccccc1Cl 16249814 QASWQIHUBQUXHD-KBVAKVRCSA-N 498.051 7.047 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/C=C\c3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1 19862353 ZZTZUVHRBANHKQ-JRKVIYSSSA-N 498.568 5.058 50 40 JKGB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(C)cc2)N1 20170506 VZAZJAHEYOEHNZ-RUZDIDTESA-N 487.556 5.678 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 20197384 YEECMWKOXFBGFL-WPWMEQJKSA-N 477.517 5.125 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1Br 20760350 MQHHFIYUVSFPTJ-LGJNPRDNSA-N 450.311 5.355 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12 32181090 ROMNMZNRVINULG-WSDLNYQXSA-N 470.536 5.289 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccc(C(F)(F)F)c1 32194024 IOGXMDIWMOHUAJ-KVSWJAHQSA-N 467.274 6.355 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cccc(C(=O)O)c1 34689486 LUKDTBGJZLXFFC-ODLFYWEKSA-N 477.314 5.272 50 40 JKGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/C=N/NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1 39353178 MSYDWDZIVIVAIC-NVSAWBOOSA-N 486.660 5.393 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccccc1Cl 59333194 PTYHCFRCGWQCSN-CLCOLTQESA-N 495.026 5.907 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(c1ccccc1)c1ccccc1 59410690 UJJDXVLZUKOYLQ-NDZAJKAJSA-N 454.957 6.201 50 40 JKGB Cc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 59472814 IPGPCFGVVBLVJX-UHFFFAOYSA-N 469.651 5.207 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc(Br)cc1 408581327 WEBNYWBKFDPVCE-RQZCQDPDSA-N 493.615 8.052 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408777730 HHEBWSAWVLKKPV-APSNUPSMSA-N 467.780 6.056 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc(F)cc1 408790063 MWKHHHZBUKSJBV-LICLKQGHSA-N 452.869 5.318 50 40 JKGB N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 408813399 QIGZHWAXHMSENH-JJIBRWJFSA-N 499.526 7.026 50 40 JKGB COc1ccc2ccccc2c1/C=N/NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 408841155 HZCZWFRBFNIUCI-XODNFHPESA-N 484.503 5.760 50 40 JKGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 408908522 AGBZMHPZBBAIER-UVHMKAGCSA-N 457.357 5.718 50 40 JKGB O=C(COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Cl)Nc1ccc(F)cc1 408954533 XQBMDYVUPXVHLB-WKIKZPBSSA-N 465.868 5.007 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccccc1 408963456 NZBUTYCWFLVZJA-IPPBACCNSA-N 476.882 6.100 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12 408983906 ODTQBSHCJYPGDQ-JLPGSUDCSA-N 475.979 7.350 50 40 JKGB N#CCOc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 409047022 TXHDQSBRPDQEIZ-WKULSOCRSA-N 475.335 5.875 50 40 JKGB O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Cl)Nc1ccc(Cl)cc1 409248144 CFMHIPBQHJMEOA-ZRGSRPPYSA-N 476.747 5.428 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Cl)c(C)c1 409250867 NCJWTBIMIMRMSQ-LPYMAVHISA-N 487.987 6.137 50 40 JKGB Cc1cc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)CC(=O)N2)ccc1Br 409322955 LZKOCLMISPFPAM-INIZCTEOSA-N 490.810 5.122 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCc1ccccc1[N+](=O)[O-] 409325900 CMUBIVVCDYOYSP-KQWNVCNZSA-N 450.494 6.790 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 1805438 GHBOGMIZDMEJKE-ZMOGYAJESA-N 478.555 5.026 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1 2318519 OXQLIKGMQANCTB-XMMPIXPASA-N 478.976 5.769 50 40 JKGB N#CC1=C(SCC(=O)Nc2nccs2)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1Cl 2341351 RMKVRTPPAVUKDX-KRWDZBQOSA-N 491.425 5.251 50 40 JKGB CC(C)c1ccc(-c2cc(C(=O)N/N=C(\c3ccccc3)c3cccs3)c3ccccc3n2)cc1 2759340 QUNNBEGSMKJGPV-UUDCSCGESA-N 475.617 7.269 50 40 JKGB Cc1ccccc1C(=O)Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(Br)cc1 3090473 PGUKZTWYPFQIFP-LQKURTRISA-N 487.353 5.894 50 40 JKGB N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 8798580 KTLGVDOVRJBEPI-NLTRVXJZSA-N 488.012 5.125 50 40 JKGB CCCCCCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1 9057795 GTKLIYUNXLOLCV-KNTRCKAVSA-N 466.006 7.177 50 40 JKGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)CCCOc1ccc(Cl)cc1Cl 12223380 ZDCRKKWUODLNKN-UHFFFAOYSA-N 494.202 5.466 50 40 JKGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 13923596 DKJKCTVPGXPGLJ-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1C(C)C 13942832 HQOJPEQZHHGUCC-XSFVSMFZSA-N 466.541 5.777 50 40 JKGB Cc1c(Br)c(/C=N/NC(=O)CCSc2ccccc2)c(C)n1-c1ccccc1 20243899 ZMIDPFLFGKDYEQ-BUVRLJJBSA-N 456.409 5.489 50 40 JKGB CC[C@@H](Nc1ccc(OC)cc1)C(=O)N/N=C\c1ccccc1OCc1ccc(Br)cc1 32705927 SJWCDPXAOGWNPI-MAAPNWIXSA-N 496.405 5.378 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc2n1Cc1ccc(Cl)cc1 33147705 NFWXJMZJKOIGDX-CPNJWEJPSA-N 460.364 6.851 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1c(C)cc(C)cc1C 33654721 AQWJXRRHXVTWET-MUFRIFMGSA-N 473.573 5.312 50 40 JKGB CCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(CCCC)cc1 33674362 IDHJYPOWONQSOU-ITYLOYPMSA-N 459.428 6.515 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 34881957 OYMNZMJCPGDQDJ-SOFYXZRVSA-N 494.161 7.852 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(F)c1 35044710 ZUTQJSDYBQGWJP-OCKHKDLRSA-N 452.869 6.429 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(Cl)c1Cl 59336578 IRMMRIKOOMCMJY-PDGQHHTCSA-N 467.308 5.816 50 40 JKGB O=C(N/N=C/C(Cl)=C\c1ccccc1)c1ccc(N/N=C/C(Cl)=C/c2ccccc2)cc1 96399217 CFEUJCDNAHZPSL-RHPQZDDJSA-N 463.368 6.360 50 40 JKGB CC(=O)N/C(=C(/Cl)Sc1ccccn1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97962866 VMOGJUZHUALPAP-CYYJNZCTSA-O 489.988 5.669 50 40 JKGB O=C(N[C@H](C(Cl)(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1 100924577 FQCSGSNOJALFDR-FQEVSTJZSA-N 452.705 5.127 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)cc2)c(C#N)c1C 408547591 ZJOFECUFIUQYRG-WSDLNYQXSA-N 495.560 5.274 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2Br)c1 408580749 ROFKPDSJYLVTCM-XDHOZWIPSA-N 481.777 6.493 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 408581879 ZNYGNQQROBRSMI-LPYMAVHISA-N 460.961 6.437 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1OC 408581973 KHOSACYGBGIREH-QGOAFFKASA-N 455.919 5.189 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c(C)n1-c1sc2c(c1C#N)CCCC2 408771492 IJHZHONJHVIQBE-BKUYFWCQSA-N 484.625 6.239 50 40 JKGB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 408773222 QAOBYGAEPANOAT-UHFFFAOYSA-N 479.411 6.572 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1c(Cl)cccc1Cl 408774682 CLDQHAHDLGTOCR-AQTBWJFISA-N 496.394 6.193 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408788730 FQDSNTDARGIDMS-GIJQJNRQSA-N 482.754 6.643 50 40 JKGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OCC 408792041 GXFIGWVSUDSFEQ-WOJGMQOQSA-N 455.352 5.575 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)c1cc2cc(Br)ccc2o1 408843165 DVKQTERHVORNMR-MXAYSNPKSA-N 494.301 5.446 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(Cl)c2)cc1Cl 408868682 ATJDZEROBRCIBP-VXLYETTFSA-N 455.772 7.092 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)c(Br)c2)cc1 408869647 SXHYMYKGYGIUEM-LPYMAVHISA-N 475.386 6.211 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 408872420 MYGXCZIXAARZLQ-LICLKQGHSA-N 491.296 7.137 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1Cc1cc(C)cc(C)c1 408877325 UUBURHOHCBBMKG-SSDVNMTOSA-N 493.434 7.454 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccc2ccccc2c1 408888131 SRENHTINDAHXBG-RWPZCVJISA-N 493.788 6.599 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1cccc2ccccc12 408983088 KHBMPPLSJTYUHX-ITYLOYPMSA-N 493.006 7.655 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(F)cc1 408984863 TXNHPVHSYWTXRR-ZDLGFXPLSA-N 485.342 6.574 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Oc1nc(Cl)ncc1F 409008682 ZWPOAXWZCYRQCY-CXUHLZMHSA-N 452.873 5.233 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1 409050005 ZIPADRNLZQLHLX-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)c(C)n1-c1cccc(Br)c1 409065755 TYSPUQXVOPTUDD-KSEXSDGBSA-N 491.183 5.089 50 40 JKGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 409148596 QQUHHJWZSJUUCN-FQEVSTJZSA-N 459.304 5.526 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4ccc(Br)c(Cl)c4)o3)cc2c1 409186837 ILRKSVYRDDIQSX-ROTLSHHCSA-N 487.737 6.271 50 40 JKGB O=C(CNc1ccc(F)cc1)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 409361363 RJRZVXLXJJCFJC-XKJRVUDJSA-N 469.347 5.698 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1cccc(F)c1 409391816 JXDBXYZEGIRROD-IUXPMGMMSA-N 477.160 7.538 50 40 JKGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=C2CCCCC2)cc1 1436596 VJGFRJFCYVKQDO-UHFFFAOYSA-N 475.614 5.440 50 40 JKGB ClCCN(CCCl)c1ccc([C@@H]2N[C@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 1722206 MDMIUDPJRKMOFJ-VSGBNLITSA-N 477.435 6.894 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(-c2c(Cl)cc(Cl)cc2Cl)s1 2083108 VHSQFPJFMUPIDZ-SFHVURJKSA-N 479.816 6.826 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)cc1 9261713 ITUZSKPMKQUKDM-KOEQRZSOSA-N 479.555 6.666 50 40 JKGB CCOc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(Br)cc3)CC(=O)N2C1 9693414 HQSBDVIISVDSAU-KRWDZBQOSA-N 470.392 5.067 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 13893532 TTWQGABUKBJPGS-LTGZKZEYSA-N 475.570 5.049 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc(Br)c1OC 15018741 JTOHPKMEPPQZGI-WYMPLXKRSA-N 453.292 5.130 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SC)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 20134196 QOVINRNJKMXVOY-XMMPIXPASA-N 462.571 5.062 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCc2ccccc2Cl)=C(C#N)[C@@H]1c1ccccc1Cl 20171652 NOPUEKVHWLJROK-QFIPXVFZSA-N 471.409 6.352 50 40 JKGB CCCCOC(=O)CSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1 20188369 TXIHEFFVFAPPCV-QFIPXVFZSA-N 467.616 5.159 50 40 JKGB CO[C@H](C(=O)N/N=C/c1c(Br)c(C)n(-c2ccc(C)cc2)c1C)c1ccccc1 20243798 HPHLSNGLWSUJHP-PWYGXMRTSA-N 454.368 5.003 50 40 JKGB Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)CCSc3ccccc3)c2C)c1 20243907 RLOCZSLJDRLFHB-CVKSISIWSA-N 484.463 6.106 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 20764251 YPBAVIOTJRIXJJ-RDRPBHBLSA-N 482.540 5.832 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1C 27017940 IGMRZQJANHDNSO-QJOMJCCJSA-N 462.553 6.101 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)cc(Br)c1OCc1ccccc1 28218062 WYCYWOKIWWXKHK-DHRITJCHSA-N 498.333 5.017 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)Sc1nc2ccccc2s1 33451142 UYKAHFCKOVEVFD-DEDYPNTBSA-N 479.424 7.295 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1 35147698 HVHDOYNNHQQQPE-LQKURTRISA-N 489.369 5.954 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)cc1 35198927 RMOHMFDNYZLNGZ-AFUMVMLFSA-N 462.531 5.380 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1C 58912773 UXMPSXNRHMHANI-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(F)cc1 59303040 CUWQWJPYLRLKGQ-LSHDLFTRSA-N 453.720 5.750 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Cl)cc1Cl 59333129 KYYKSYBZMUIPDR-QNGOZBTKSA-N 479.411 5.657 50 40 JKGB CC[C@@H](C)Oc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Br 107818861 XIAGANXAMMITLU-DWKHYPNZSA-N 484.419 5.984 50 40 JKGB COc1cc(/C=C/C(=O)Cl)cc(I)c1OCc1ccc(Cl)cc1Cl 226336492 UGSOKKDNIAVYIY-GORDUTHDSA-N 497.543 5.964 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1OC 408583710 WWEADJYJSVXPIH-FYJGNVAPSA-N 458.514 5.103 50 40 JKGB CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc1OC 408726486 SDJLBMLQKDDXHM-BOPFTXTBSA-N 490.341 5.197 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1 408726524 SKCRGPMUZOLDEJ-UNOMPAQXSA-N 454.751 6.754 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(Br)cc1 408726585 UFDAARQPYLWHCW-PDGQHHTCSA-N 479.330 5.288 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc(OCC)c1OCc1ccccc1 408745802 PEOVDSXYMSZGCB-UQQQWYQISA-N 482.580 6.337 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccc4ccccc4c3)c2)cc1 408752952 KDXHTJYESDZIAM-PXLXIMEGSA-N 484.533 5.162 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br 408804247 DSXWTWBLINMKDQ-MDWZMJQESA-N 454.151 6.090 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408826044 SMXJVHAZPUXNAJ-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1Cc1ccccc1Cl 408877803 XAFMIRIYJHHSJN-VCHYOVAHSA-N 496.350 6.437 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Br)c(Cl)c1 408878634 CKVXPXPSQDAQKD-DEDYPNTBSA-N 495.804 6.790 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cc(C)cc(C)c1 408886191 FBXHTJXQWULILA-CIAFOILYSA-N 495.406 7.134 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(Cl)c1 409067221 OMGFQLWVHHKLGI-LFIBNONCSA-N 473.337 5.307 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c1C 409081089 ONPXFXJCJOYTPJ-WQRHYEAKSA-N 458.430 5.458 50 40 JKGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(OCCC(C)C)cc3)cc2)cc1 409119669 QIAPDBMKIUUNGR-TURZUDJPSA-N 493.629 5.009 50 40 JKGB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(Cl)cc1 409227526 ZLYIHRVYZYSOJV-UZRTWBFMSA-N 484.295 5.284 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1ccccc1 409251286 UPCHYFWODUFTBB-CTPANLQCSA-N 451.353 6.357 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1 409258940 WDOPKLDJHRFSHO-MOSHPQCFSA-N 459.933 5.520 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409262599 ICLFKYQEBPZWFN-HAHDFKILSA-N 483.568 5.574 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 409266722 RAMQMTWMGAWOFJ-DEDYPNTBSA-N 489.959 5.610 50 40 JKGB CCOc1cc([C@@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(Cl)c(Cl)c1 409368776 LXUDRDLTOYZLAE-NRFANRHFSA-N 490.456 6.314 50 40 JKGB CCOc1cc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1cccc2ccccc12 409373653 XNJGMPRQYKZHGS-RUZDIDTESA-N 455.558 5.995 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1cccc(C(F)(F)F)c1 715998 FRWQPPFGOBETGW-QFIPXVFZSA-N 470.447 5.108 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OC(=O)c1cccc2ccccc12 3232385 BPZDISJKKRNKQX-LTGZKZEYSA-N 480.495 6.142 50 40 JKGB Cc1ccc(S(=O)(=O)Sc2[nH]c(-c3ccccc3)nc2N(c2ccccc2)c2ccccc2)cc1 6245639 XTFFBCRLMKXQIG-UHFFFAOYSA-N 497.645 7.336 50 40 JKGB O=C(COc1cc(Cl)ccc1Cl)N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 9948629 XVMUHLTZPCKWCS-AQHIEDMUSA-N 468.680 5.344 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C\c1ccccc1OCc1ccc(Cl)cc1 13595292 BKFOFNYLHCOBFP-QFEZKATASA-N 457.755 5.374 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(Cl)cc1 59281746 YETYHVNJMCRNOT-LICLKQGHSA-N 498.322 6.035 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccccc1Cl 59335727 SXCYNTUTEJKFJU-JLPGSUDCSA-N 486.999 6.900 50 40 JKGB CN(C)/C=C(/N(C)C(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102618543 WLQMKMSUBSXKIQ-OLFWJLLRSA-N 465.557 5.113 50 40 JKGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 105062409 BCOLHUPTJFDGBG-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC 408536773 BALUEFGLLBEPAO-SFQUDFHCSA-N 473.367 5.668 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)c1ccc(C(=O)O)cc1 408541155 FAYMOONNRDWIGA-FMCGGJTJSA-N 474.343 7.488 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1ccc(C(=O)O)cc1 408544153 VECYZFJQVSUSRD-UUYOSTAYSA-N 474.343 7.488 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)c(C#N)c1C 408546876 OMUMODQTWGKAAQ-MHWRWJLKSA-N 489.509 5.300 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1cccc(C)c1 408569787 PYAAGAKKBXYQII-NVMNQCDNSA-N 492.348 6.425 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1OC 408582747 PUNRIWHXSWNWID-WOJGMQOQSA-N 483.351 6.092 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccccc3)n2)c1O 408724133 GAKGNFBHSZCBMW-AJBULDERSA-N 488.547 5.684 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1 408733825 AOCZSUWAVRQUAW-RQZCQDPDSA-N 487.770 6.780 50 40 JKGB O=C(N/N=C/c1cccc(O)c1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 408743101 UPXCWPHBSATLHD-NJZRLIGZSA-N 457.533 6.281 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 408765605 WOROBJJKQWBRIF-QNGOZBTKSA-N 476.554 5.016 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccccc1C#N 408794993 KTIGHLRNZDLITR-WSDLNYQXSA-N 471.944 6.043 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OCc2cccc3ccccc23)c1 408805945 CVSYFOKUSZQOEK-HYARGMPZSA-N 479.492 5.881 50 40 JKGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 408810212 JEPNULNVTIBGCE-RSZPVBOMSA-N 463.375 6.003 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)cc2)cc1 408817174 VLBNUESOPJIRSY-XIEYBQDHSA-N 490.559 6.450 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(C)C)c(OC)cc1Cl 408821258 FKUBJTFPHJCACR-VGOFMYFVSA-N 479.758 5.453 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 408887284 NJOOIAJCEWWOQR-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OCc2cccc3ccccc23)c1 408894550 IOGAIKBYJAKPGN-HYARGMPZSA-N 479.492 5.881 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)cc2)cc1 408896565 OJBZXQIDDGMPNU-NBVRZTHBSA-N 497.370 5.071 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1-c1cc(Cl)cc(Cl)c1 408937570 JUVUTMGYRCABQT-NSKAYECMSA-N 498.197 5.797 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)cc2c1 409187334 PAGGXXRLSLTLAC-MUXKCCDJSA-N 483.351 6.481 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 409241578 ORPOOJHYMSSIKJ-CFKHXJFWSA-N 474.988 6.411 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409257420 OODDDTGPEPDDLK-DEDYPNTBSA-N 473.504 5.014 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1 409269396 ISCSIOSURXQXPT-ATVHPVEESA-N 496.350 5.565 50 40 JKGB CCOC(=O)COc1c(Br)cc(/C=C(\C#N)c2cccc3ccccc23)cc1OC 409335796 YIAGEQITPBWMBA-WOJGMQOQSA-N 466.331 5.617 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 409358932 HXNRONNKIIAAHO-VYYCAZPPSA-N 457.357 5.582 50 40 JKGB CCOc1cc([C@@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(Cl)cc1Cl 409369420 NELKOIHNXFYUMB-NRFANRHFSA-N 490.456 6.314 50 40 JKGB Cc1ccccc1[C@@H]1C(/C=N/NC(=O)c2ccc([N+](=O)[O-])o2)=C(c2ccccc2)Oc2ccccc21 1835082 OBEBQXKELCDIAN-WVOIHLJESA-N 479.492 5.848 50 40 JKGB O=C(COc1ccc2ccccc2c1)NCC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 2121979 CUUDMJYKGDEBLV-VFLNYLIXSA-N 496.350 5.052 50 40 JKGB CCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2240630 BUYWHYXFIOITHF-FYAMCCBRSA-N 453.567 5.314 50 40 JKGB COc1ccc2c(Cl)c(C(=O)N/N=C/c3cc(C)n(-c4ccc(C)cc4)c3C)sc2c1 3284736 RGSOEGDHTCTKQO-LGJNPRDNSA-N 451.979 6.043 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1C1CCCCC1 9295810 FHWJEMUSKPYGFK-LGJNPRDNSA-N 450.461 5.230 50 40 JKGB CCc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(Br)cc4)CC(=O)N3C2)cc1 9693396 HZLBQZRRMPSEIG-IBGZPJMESA-N 454.393 5.231 50 40 JKGB Cc1c(C(=O)Nc2ccc(SC#N)cc2)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 12273985 PSXLOYURIASCQC-UHFFFAOYSA-N 486.944 5.863 50 40 JKGB O=C1N/C(=N/NC(=O)c2cccc3ccccc23)S/C1=C\c1ccccc1OCc1ccccc1 13372428 IUDNZJUSQNSRSC-UQQQWYQISA-N 479.561 5.324 50 40 JKGB aggregator N#Cc1cccc(Cn2cc(/C=N/NC(=O)Cc3ccc(Br)cc3)c3ccccc32)c1 13595770 XMEHPZBFJMBLNG-RWPZCVJISA-N 471.358 5.017 50 40 JKGB CCOc1cccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)c1O 17201298 XDAOAAWNELWICR-VYYCAZPPSA-N 495.004 5.085 50 40 JKGB O=C(N/N=C(\CCCCl)c1ccc(F)cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 20533839 DBZZLSQUVCDJEP-UQRQXUALSA-N 480.370 6.847 50 40 JKGB CN(C)c1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 32576875 FPCVTIGPFJOITL-DICXZTSXSA-N 478.021 5.046 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)cc1 33752228 WBSOGOCKXCLARZ-CIMHLCPSSA-N 473.576 6.425 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccc2ccccc2c1 34888742 MFPWENSJIKGTRF-UCQKPKSFSA-N 474.785 7.899 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 59116983 ZEWMIMYTJZIQOR-YVLHZVERSA-N 487.770 6.780 50 40 JKGB C[C@@]1(CBr)[C@H]2CC[C@]1(CBr)c1nc3cc(Cl)c(Cl)cc3nc12 98007369 KTPUHCVQFOHYGP-KHQRDOKYSA-N 465.016 5.862 50 40 JKGB CCCCCCCCCCCCCCCCCC[C@@H]1C(Cl)=C(Cl)C(=O)C(=O)[C@H]1Cl 101463446 SGDOMZCMJWILBP-CTNGQTDRSA-N 465.933 8.703 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1cccc(F)c1 408569226 MJUNJUBMCLZTOK-APSNUPSMSA-N 451.860 6.146 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccccc1 408751970 FEOOTNDFDREFCA-PXLXIMEGSA-N 483.365 6.727 50 40 JKGB O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1)c1ccc(Cl)c(Cl)c1 408758967 VQKVIGBKPZJDOL-BRJLIKDPSA-N 492.156 5.739 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)c1ccccc1 408779655 GYDLULWLDATMAE-UDWIEESQSA-N 481.289 5.633 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 408795674 MOFSSPXKKHTAPF-XIEYBQDHSA-N 499.570 6.565 50 40 JKGB Cc1ccc(COc2ccccc2/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1 408818142 YAHCFCLDGXLYIP-WGARJPEWSA-N 463.331 5.847 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1Cl 408818317 NREXFKYNGMQCOW-RVDMUPIBSA-N 484.339 6.361 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccccc2Cl)cc1)c1cc2cc(Br)ccc2o1 408847214 PZXPUZSXSPKDJP-ZMFRSBBQSA-N 483.749 6.192 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 408883751 WJCYRFJJONEANY-CPNJWEJPSA-N 461.315 5.522 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 408888361 URYVXAHPFWBXBX-GIJQJNRQSA-N 482.323 6.335 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(OCc2ccccc2Br)c1 408893332 DZNCVHMLHZIOGZ-FYJGNVAPSA-N 491.385 6.199 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(Br)cc1F 408996273 CURCDCFHEMRBPY-OPEKNORGSA-N 478.749 5.178 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)c1nc2ccccc2[nH]1 409066350 AGHASZGJSPBIJK-RQZCQDPDSA-N 464.308 6.211 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccccc1 409254426 XECUUERGWXVCCD-HLILLCKBSA-N 466.968 6.857 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCc1ccc2ccccc2c1 409312245 FDXSLEWNCAGANS-VEILYXNESA-N 455.557 8.035 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1OC 409324763 VJBUQNYCCCHSKJ-RHANQZHGSA-N 494.975 5.655 50 40 JKGB Cc1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(=O)n(-c2ccccc2)n1C 937118 VQEWOPFHAZMHRE-FOWTUZBSSA-N 493.350 5.597 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)ccc1OCc1ccc(F)cc1 987156 QMZYVSOPSVEFGU-NRFANRHFSA-N 474.517 5.083 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1Cl 2162493 CLKRQOGPDVCOOK-KKMKTNMSSA-N 485.323 5.599 50 40 JKGB C=CCc1ccccc1OCC(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 2166173 QOLRQLDUYSIMSL-JVWAILMASA-N 479.374 5.286 50 40 JKGB Cc1ccc(/C=N/NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)c(O)c1 2288426 YXSFZYYSCLUVFJ-OCSSWDANSA-N 478.577 5.544 50 40 JKGB Brc1ccc(SSc2ccc(Br)c3nsnc23)c2nsnc12 2290540 XGYXICPDENTQAP-UHFFFAOYSA-N 492.268 6.020 50 40 JKGB O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccccc1O 2805841 YLQIPCBKRHNRIJ-UFFVCSGVSA-N 451.729 5.316 50 40 JKGB N#C/C(C(=O)COC(=O)COc1cc(Cl)c(Cl)cc1Cl)=C1\Nc2ccccc2S1 3229955 RJYVQTNLUNIWHL-GRSHGNNSSA-N 469.733 5.091 50 40 JKGB CC(C)c1ccc2c(c1)/C(=N\NC(=O)c1ccc(COc3cccc4cccnc34)cc1)C(=O)N2 3284326 VEPVAYMMPKQMCA-UHFFFAOYSA-N 464.525 5.023 50 40 JKGB COc1cc(Cl)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1O 4106940 OPIIIHBSASMYPB-LQKURTRISA-N 459.933 5.584 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OCc1cccc(Cl)c1 9202203 LADIZCPZCOPQSN-MZJWZYIUSA-N 457.357 6.043 50 40 JKGB CCC(C)(C)c1ccc(OCCCC(=O)N/N=C(\C)c2ccc(OC)cc2)c(C(C)(C)CC)c1 12561844 RUUKEXAVHIBUMF-MWAVMZGNSA-N 466.666 6.770 50 40 JKGB COc1ccc(C(=O)Nc2ccc(/C(C)=N\NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)cc1OC 13736833 QDKBYEQXZRKCFD-MNBJERMJSA-N 489.616 5.403 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 18173412 YTVNVYKUTDVKCL-LDADJPATSA-N 481.321 5.721 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 28216030 OFNZGGXMLQAKFE-KBKYJPHKSA-N 480.848 6.438 50 40 JKGB CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1C 33736364 MTVJDVNSELJQTL-BOPFTXTBSA-N 477.448 5.438 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 35078760 ZDBHBTUTNLXWHN-CCVNUDIWSA-N 466.368 6.327 50 40 JKGB COc1cc(/C=C(\C#N)c2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 35087799 YTUYNCHMXRTZSR-WOJGMQOQSA-N 453.325 6.084 50 40 JKGB CCCCCOc1ccc(CN2C(=O)/C(=N\NC(=O)COc3ccc(C)cc3)c3ccccc32)cc1 46085132 JUDUZELSEPSUJG-PNOGMODKSA-N 485.584 5.010 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1OCc1ccc(Br)cc1 59117026 AHZFASBDCNMWBC-LDADJPATSA-N 497.776 6.236 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OC(C)C 59254982 IZXATDKZJVHLAV-VIZOYTHASA-N 463.759 5.752 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 59332916 WPSKWLQZAWKIPZ-NKFKGCMQSA-N 464.544 5.084 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1cc(Br)ccc1O 59921091 LVNCCLFYEDZBQI-WYMPLXKRSA-N 459.727 5.151 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 107969582 WUJCPRFXBDXKNS-ZMFRSBBQSA-N 461.543 5.243 50 40 JKGB CC(C)N1c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2[C@@H](C)CC1(C)C 223544880 JSSXBIUVXGDVOT-FKBXNUFCSA-N 469.629 5.573 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 408539566 XPNXDXNUSKHXPP-LDADJPATSA-N 494.941 7.262 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)c2C)cc1 408566936 BRCHCMSYHBFQKO-JVWAILMASA-N 495.670 5.501 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccccc1I 408599016 NSWCQZJHQQVMQX-CVKSISIWSA-N 493.348 5.616 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 408711793 KPQBRJMQWMDFRI-UXHLAJHPSA-N 472.972 6.164 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1OCc1cccc2ccccc12 408723465 VKGBMJKXAQFSBP-TZWKWJTESA-N 456.586 6.094 50 40 JKGB C=C1CC(C(=O)N/N=C\c2cc(-c3ccccc3)n(-c3ccc(C(=O)OC)cc3)c2-c2ccccc2)C1 408731398 KENWFQVPUKBBGT-RGXNXFOYSA-N 489.575 6.014 50 40 JKGB CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C 408767239 KMRLATIWDHNFPS-YSMPRRRNSA-N 455.646 6.337 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 408794535 JMLRKKYWEIOWMO-CIAFOILYSA-N 495.406 7.134 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)cc1 408795453 MKAOZLAXQKRZPB-UDWIEESQSA-N 491.341 5.580 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)cc1 408796337 OSSIYBIFYQMTON-RCCKNPSSSA-N 483.955 6.065 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1 408798888 XEACTQVKHBDHND-LPYMAVHISA-N 475.386 6.499 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 408802350 ZJRNCHDDNFKWNZ-KGENOOAVSA-N 473.359 7.271 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OCc2ccc(Cl)cc2Cl)c1 408808521 JFRVHEKNUBAWRK-LICLKQGHSA-N 487.770 6.780 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1cccc(Cl)c1 408812552 WWAXHQIPGXQUPY-CIAFOILYSA-N 495.406 7.079 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc2n1Cc1ccc(Br)cc1 408817443 VRRFUTSJPFFOCD-WRNUTHQKSA-N 490.445 6.362 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Br)cc2)c(C)n1-c1ccc(Br)cc1 408862808 MKHVPEJDLJJSGC-FSJBWODESA-N 475.184 5.383 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 408866283 DRACRBRMWQBRQI-RIYZIHGNSA-N 481.268 5.587 50 40 JKGB Cc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)c(C)n1-c1cc(Cl)cc(Cl)c1 408925129 QBTZRHOHSLXPEN-OPEKNORGSA-N 489.453 6.253 50 40 JKGB COc1ccc(-c2cc(C(=O)N/N=C\c3c(C)n(C)c4c(C)cccc34)c3ccccc3n2)cc1 409033089 KYOPWQWQZZNOJO-LQNQUEJISA-N 462.553 5.783 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1OCc1ccc(F)cc1 409074710 UYBUPHRBCBGSSL-HZHRSRAPSA-N 456.517 5.996 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)c(C)n1-c1cccc(Cl)c1 409128096 ILTCSKMPNSZXAH-KBKYJPHKSA-N 480.848 6.438 50 40 JKGB N#Cc1ccccc1COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1 409191809 NUTGJMZXRKXQGR-LGJNPRDNSA-N 468.738 5.317 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccc(F)cc1 409245066 MXTGCRAHPSAPIK-ULJHMMPZSA-N 458.533 5.459 50 40 JKGB C=CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OC)c1 409320847 DBGZHLQDKAPMKV-YUMHPJSZSA-N 495.373 5.365 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(C(C)(C)C)cc1 2121439 LWHXNQJMVVSEKA-OCSSWDANSA-N 454.574 5.469 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)c(C)c1 2222926 HBQIUDGNONIJFV-VECHRTTRSA-N 453.567 5.368 50 40 JKGB O=C(N/N=C/c1sc(Nc2ccccc2)nc1Cl)c1ccccc1OCc1ccc(Cl)cc1 2657780 LSYVQNKPBCFSNN-MZJWZYIUSA-N 497.407 6.536 50 40 JKGB O=[N+]([O-])c1ccc(OC[C@H](Br)[C@@H](Br)c2ccc(Br)cc2)cc1 3065352 HDPOHNJNCLBYNQ-GJZGRUSLSA-N 493.977 5.636 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCC(=O)c1ccccc1 6906916 WIBKNFNZTPKQPV-BKUYFWCQSA-N 497.532 6.053 50 40 JKGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)CC(=O)N1 9014362 GQLQAAXXTBVECJ-DEOSSOPVSA-N 497.620 5.539 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl 9076164 OZZUUVZBNLSQPG-NRFANRHFSA-N 483.355 5.842 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c(C)n1-c1ccc(C(=O)OC(C)C)cc1 9204062 FXBLCEYEQUSZOP-JFLMPSFJSA-N 496.405 5.115 50 40 JKGB O=C(N/N=C/c1cccc(Br)c1)c1cc(-c2cccc(OCc3ccccc3)c2)[nH]n1 9375185 BVPHHZFOXJBLAR-CVKSISIWSA-N 475.346 5.182 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)sc(C)c1C 13513877 JWXVEYMSGRGNKG-GDNBJRDFSA-N 488.432 6.404 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1 13660163 ZMBXALCGJVUTLZ-MTJSOVHGSA-N 494.023 5.025 50 40 JKGB COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1OC 16311252 IBSHPUISGXLJPM-JVWAILMASA-N 493.633 5.018 50 40 JKGB COc1ccccc1/C=C/C=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1 19826070 MEUVHMKDNKHLEU-CXFFVOATSA-N 491.016 5.654 50 40 JKGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccccc3Br)o2)ccc1Cl 20760212 CTROIWJZFFJZQJ-WYMPLXKRSA-N 475.726 5.303 50 40 JKGB Cc1ccc(Cn2c(C)c(/C=N/NC(=O)c3ccccc3Br)c3ccccc32)cc1 20761131 FJAXMEAIKADWJA-JFLMPSFJSA-N 460.375 5.833 50 40 JKGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1C 28216138 LHZBQMDUWQRLRP-DHRITJCHSA-N 450.564 5.003 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1 28216957 GURPOVROMBKBII-OCSSWDANSA-N 488.056 6.945 50 40 JKGB CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1 38682114 UWXAIJIWMJKDDP-QFIPXVFZSA-N 493.382 5.608 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccco3)cs2)ccc1OCC(=O)Nc1ccccc1 39842873 YMLZHHBIPXVHKX-LDADJPATSA-N 457.511 5.493 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(Br)c1O 44827431 BJNNPNDHIPUYAW-QCDXTXTGSA-N 482.186 6.658 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Cl)cc1 48573280 TYVSXFMCASNTSJ-STBIYBPSSA-N 464.993 6.379 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c1OCc1ccccc1Cl 58871244 GTZPGLFTSYTWLL-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Br)cc1 59117261 DNBMESNHAHAPPL-LDADJPATSA-N 497.776 6.236 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Br 59198793 PPIPROXCCBNYJW-OVCLIPMQSA-N 478.184 5.773 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(C)cc1 59272380 PDSQUYXLJCZIDM-IWIPYMOSSA-N 456.542 5.205 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc3c(c2)OCO3)cc1 59335799 HDBVVCKEVXFSKR-ODLFYWEKSA-N 491.341 5.611 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1cccc(Cl)c1Cl 59336142 LIUNICMGOWULPN-BOPFTXTBSA-N 468.296 6.026 50 40 JKGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 67321637 MYIRVKFXDUJNEP-JFFBJAMWSA-N 488.547 6.325 50 40 JKGB CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)[C@H](Cl)C(C)C)cc2)cc1 100167548 NNWWBJUPKARUHB-AREMUKBSSA-N 489.052 7.594 50 40 JKGB COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)P2(=O)Nc2ccc(OC)cc2)cc1 104385016 MNQCWBWABWBVAQ-UHFFFAOYSA-N 481.533 5.641 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OCc1ccccc1Cl 137021894 XAJFWVIVXABZAA-XDHOZWIPSA-N 497.378 6.525 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 408541075 DOMMOZVWIVTWGR-UNOMPAQXSA-N 455.901 5.587 50 40 JKGB N#Cc1ccccc1COc1ccc(/C=N\NC(=O)c2cccc3ccccc23)cc1Br 408567426 NFYBSVRAIKVHCO-MWLSYYOVSA-N 484.353 5.817 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Br)cc1 408599599 XEZXRWOGZGVWAU-LQKURTRISA-N 495.417 6.098 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)Sc1nc2ccccc2[nH]1 408599641 YAOYRZMSLPCGGY-GXDHUFHOSA-N 467.304 6.150 50 40 JKGB COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(Cl)c1OCc1ccc(Cl)cc1 408599734 ZDGARPNRVNXSBO-VCHYOVAHSA-N 482.392 7.114 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccnc2)cc(Br)c1OCc1ccccc1Cl 408722939 JFTDAWVBTUASCC-RPPGKUMJSA-N 488.769 5.239 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1 408747468 OJGYZTBMUZKPSU-IWIPYMOSSA-N 472.972 5.879 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC(C)=O 408757642 BESBDMAZHSTLEA-MLPAPPSSSA-N 498.160 5.626 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OCC 408788084 AWHPJHBQCCEDKI-LDADJPATSA-N 499.361 5.135 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 408794151 HYLCQJRJIMRASB-LDADJPATSA-N 497.776 6.236 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Cl)c2)c1C 408813390 MZXKTIZJYHWGCN-BUVRLJJBSA-N 480.995 7.543 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1cccc2ccccc12 408880872 IWCYDQCQZGSSBL-HKOYGPOVSA-N 468.512 6.758 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1C 409007930 RXBINPUWPIOOIO-JCMHNJIXSA-N 469.541 5.265 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409066520 NIFTXQUZVHKJBV-CPNJWEJPSA-N 496.972 5.279 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 409203551 XWSSGGXJJMXYSJ-JLPGSUDCSA-N 467.500 6.785 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(Cl)c2)cc1OCC 409319031 ZHECWAUDPCXSEY-QRQIAZFYSA-N 464.949 5.646 50 40 JKGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCc3ccccc3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409332742 HZAIEVWQUZGTLB-MOPGFXCFSA-N 491.396 5.063 50 40 JKGB CCO[Si](CCCc1ccc(C(C)(C)c2ccc(OC[C@@H]3CO3)cc2)cc1)(OCC)OCC 1857793453 NDZORLVPMHDYOE-AREMUKBSSA-N 472.698 5.771 50 40 JKGB N#CC1=C2N=C(N)c3c(sc4c3CCCCC4)N2C2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 708337 UANIKLCMRUTTNY-NRFANRHFSA-N 458.562 5.221 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 1189709 HVCQMBDXWBXGFA-QGOAFFKASA-N 450.336 5.411 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 1454111 SATPMLGONYALRE-SFQUDFHCSA-N 463.921 6.332 50 40 JKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 1905948 SSYRAFAHHOTXGB-KGENOOAVSA-N 480.033 6.892 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccccc1 2743999 GWSHULSMOMYNGD-XMHGGMMESA-N 454.917 5.747 50 40 JKGB COc1cccc2cc(C(=O)N/N=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)oc12 8722199 UPHJCGPGQPMCHT-MUFRIFMGSA-N 495.491 5.846 50 40 JKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1OC 8763774 IOJBNYSYBBSERF-PXLXIMEGSA-N 475.614 6.247 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2ccc(C)c(Br)c2)o1 8812649 RKXKMLWNJHKAEX-FOKLQQMPSA-N 492.167 5.553 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)o1 9311473 CVORMQIDQNVCEW-NTEUORMPSA-N 452.264 5.471 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1cccs1 9380065 HILUEGMROBGNND-IWIPYMOSSA-N 468.007 5.282 50 40 JKGB Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(Br)cc4)CC(=O)N3C2)cc1Cl 9693408 CDEYHKSVIZLJCG-KRWDZBQOSA-N 474.811 5.630 50 40 JKGB Cc1c(C(=O)NNC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)oc2ccccc12 10124772 GVTUMCYYENGRSS-UHFFFAOYSA-N 458.301 5.097 50 40 JKGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 13174256 DIKCWLXLVKVLIO-QHCPKHFHSA-N 463.990 5.449 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 20764167 GVBVDTNCSFIOJG-CCVNUDIWSA-N 466.368 6.159 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1 33622091 AXMWKKZIXZJHEG-XKZIYDEJSA-N 485.337 7.154 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1cccc2ccccc12 33677296 ZTISKJMKAUKBJL-UCQKPKSFSA-N 493.994 7.720 50 40 JKGB N#CC1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(Br)c1 34138504 OJEOKWUXUMATGV-OAQYLSRUSA-N 457.327 5.551 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)c(C)c1 34689946 PLUZNNBUKJSVLM-LGJNPRDNSA-N 490.541 5.076 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccc(Cl)c(Cl)c1 58913692 ITVAAEWOUGFAIM-CCVNUDIWSA-N 479.367 5.643 50 40 JKGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 58927956 MWKGDZDOJQPXKX-JOBSNELWSA-N 459.398 6.203 50 40 JKGB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4C[C@@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)c1 101052791 OYPVHBMYKLKSNL-SEXKYXSUSA-N 493.195 5.214 50 40 JKGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc21 208470822 SUUOJNPXGKGIFZ-JAIQZWGSSA-N 458.993 5.719 50 40 JKGB CCCCCCCC[C@H](Cl)[C@H](Cl)CCCCCCCC(=O)[C@@H](C(=O)O)[C@@H](O)C[N+](C)(C)C 263583688 TYGGPHDVLKGGFC-SGKWCMOWSA-O 497.568 6.020 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC 408540624 UQBIGEIARQIZGK-PDGQHHTCSA-N 461.389 6.897 50 40 JKGB C=CCOc1c(I)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OCC 408542430 LMUFYDJNZIGGJK-YVLHZVERSA-N 475.282 5.017 50 40 JKGB O=C(NNc1ccc(OCc2ccc(Cl)cc2Cl)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408611778 WLJFCKNGTCGPTO-INIZCTEOSA-N 488.346 5.208 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4c(Cl)cccc4Cl)c3)CC2=O)cc1C 408612803 YUGXHEHFNKEPAE-GOSISDBHSA-N 498.410 5.685 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccc(Cl)cc4Cl)c3)CC2=O)cc1 408613221 ZVFQHQVNKQJCKG-GOSISDBHSA-N 484.383 5.377 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1F)c1ccc(N2CCCC2)cc1 408678422 YXWLMVAPTNSYHA-LQKURTRISA-N 496.380 5.531 50 40 JKGB CC1CCN(C(=S)c2ccc(OC(=O)/C(C#N)=C/c3ccccc3)c(Br)c2)CC1 408753371 OPWNUSWANYOJTL-CPNJWEJPSA-N 469.404 5.369 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 408765914 ROVPZLFJADOTHL-CXUHLZMHSA-N 489.200 6.709 50 40 JKGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 408787142 SHGBJZDLXIZYDK-BYNJWEBRSA-N 491.657 5.439 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)cc1 408812952 PYGVOKCMERRGMD-CJLVFECKSA-N 463.493 6.181 50 40 JKGB O=C(N/N=C\c1cc(Br)ccc1OCc1ccc2c(c1)OCO2)c1cc2ccccc2o1 408815862 SQNNRDGWGMQGKQ-ZRGSRPPYSA-N 493.313 5.267 50 40 JKGB CC[C@H](C)Oc1cc(Br)c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 408846031 OKRIWRJZUVADNO-YLRSXTQRSA-N 496.405 5.382 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccccc1 408848564 ZWZCRPZHNDGFJN-AFUMVMLFSA-N 498.333 5.099 50 40 JKGB Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1 408873425 QZOBFNCDYLJGGM-JJIBRWJFSA-N 495.420 7.356 50 40 JKGB Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)cc2)cc1 408885509 BEQLWNDEQAQQNC-XMHGGMMESA-N 461.315 5.522 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2Cl)cc1 408964199 BVJAKUXJRZTBHL-VFLNYLIXSA-N 489.881 5.449 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1cccc(C)c1 408981537 BPVNWOVYWMQFEV-JAIQZWGSSA-N 481.379 6.744 50 40 JKGB CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1C 409043392 QNVKPDLTOSJRQN-OQLLNIDSSA-N 478.184 5.855 50 40 JKGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1Br 409059165 UQZNQPXDPLOWBG-LSHDLFTRSA-N 486.591 5.502 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409066355 AGZDOUJTZDNBIL-KGENOOAVSA-N 485.496 5.162 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3c(Cl)cccc3Cl)c2C)cc1 409140885 GMUVNVUVOQTMCV-RPPGKUMJSA-N 460.430 6.093 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(Br)cc4F)c3C)cc2c1 409189043 HRZFJOYDSLKRSI-WKIKZPBSSA-N 498.352 5.905 50 40 JKGB Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1 934964 GMJHNVDUONCVFY-HFVAWESISA-N 481.621 5.089 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCC)cc2)sc(C)c1-c1ccc(Cl)cc1 1791213 VIGVMDQZZCFNCR-XMHGGMMESA-N 495.000 6.498 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3)o2)sc2c1CC[C@H](C)C2 1820576 KTUNNOVWZSHKBU-WFVLPUPGSA-N 474.582 6.164 50 40 JKGB N#CC1=C(N)Oc2c(sc3ccccc23)[C@H]1c1ccccc1OC(=O)c1ccccc1Cl 1820599 VPPLRIOECLXDNL-NRFANRHFSA-N 458.926 5.992 50 40 JKGB CCCCOc1ccc(/C=N/NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2Br)cc1 2166039 YDAOAPRCXKLQBM-UJUJBVAOSA-N 483.406 6.089 50 40 JKGB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 2281474 HBZXSRGCMHEAGO-LDADJPATSA-N 450.947 6.099 50 40 JKGB O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)C2CCCCC2)cc1 9434580 CFFNJOSBBSASQQ-UHFFFAOYSA-N 455.967 5.148 50 40 JKGB COc1cc([C@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)ccc1OCc1ccccc1 9693549 FRRTYRALMKEJMH-HSZRJFAPSA-N 497.620 5.802 50 40 JKGB C/C(=N\NC(=O)COc1ccc(Cl)cc1Br)c1ccc(-c2ccccc2)cc1 9724181 MCFHIWJMBUURGM-MFKUBSTISA-N 457.755 5.689 50 40 JKGB N#CC1=C2SCN(c3cccc(C(F)(F)F)c3)CN2C(=O)C[C@@H]1c1c(F)cccc1Cl 12251047 OPLHPBSPKBGRCB-AWEZNQCLSA-N 467.875 5.717 50 40 JKGB CCCCOC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1 13045363 OVDQHSWHJXLJHR-JOCHJYFZSA-N 485.993 5.344 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(F)c1 59117509 WRRYMIWNGPGGKV-RQZCQDPDSA-N 471.315 6.266 50 40 JKGB CC(C)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(CC(C)(C)CC3=O)N2)cc1 85846242 WEPDDVLQCQVJMX-DEOSSOPVSA-N 491.682 6.309 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OCC 107957057 ZIYIXRLYOSQODL-NVNXTCNLSA-N 464.259 5.061 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccc(F)cc1 108170472 GCIXLTVUJFXHBX-MUFRIFMGSA-N 458.489 5.339 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C 208465095 QUUPSNLFBOTLRO-BRJLIKDPSA-N 476.802 5.507 50 40 JKGB CC(=NNC(=O)CSc1nnc(-c2cccc(Br)c2)n1C)c1ccc2ccccc2c1 254308284 MKBNKGFBZCNRTL-UHFFFAOYSA-N 494.418 5.030 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1nc2ccc(F)cc2[nH]1 408568971 LQVUKACUKQJQHJ-UYRXBGFRSA-N 498.355 7.261 50 40 JKGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 408607139 BVMAYDLYYFNEFA-MZJWZYIUSA-N 470.356 5.224 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc(Br)c1OCc1ccccc1 408727456 YTWJFRVFJFLYJX-JVWAILMASA-N 497.389 5.128 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1ccccc1 408740945 FKJKFMXDVHDOKV-ZDLGFXPLSA-N 467.308 5.816 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 408746602 SZFMHKMOCBTVAP-SXGWCWSVSA-N 492.189 7.425 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)Nc1ccccc1 408785455 GBRXRFDNDDMGCL-ZHZULCJRSA-N 473.359 7.271 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)Nc1cccc(Cl)c1 408798729 WTIYNVUFQVYHGC-HZHRSRAPSA-N 461.952 7.042 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(OCc2ccc(Cl)c(Cl)c2)c1 408799892 JCSSKDSOWRRWNM-GZTJUZNOSA-N 469.324 5.832 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2c(C)ccc3ccccc23)c(Cl)c1 408803922 UTVJYIPAWBFSCZ-HZHRSRAPSA-N 466.968 7.235 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1cccc(Cl)c1 408807992 LYDUMMZYUXZZQP-HYARGMPZSA-N 460.961 6.426 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Cc1cccc(F)c1)C(=O)Nc1ccc(Br)cc1 408884534 ULYUXWYHQBURHR-LDADJPATSA-N 469.741 6.378 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)c(Br)c2)cc1 408885511 BFBDDBLURCDDTQ-LPYMAVHISA-N 475.386 6.499 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1c(Cl)cccc1Cl 408891608 TZJMSCYJFGAEBA-SFQUDFHCSA-N 457.744 6.771 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(Cl)nn1-c1ccccc1 408894943 SKIJUXFSJPDTTG-OCSSWDANSA-N 484.003 5.156 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 408895150 MFJKXZWRWPSVSB-UDWIEESQSA-N 481.379 6.689 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c([N+](=O)[O-])c1 408898779 XKZBWXCFZPWKMF-VCHYOVAHSA-N 482.323 6.335 50 40 JKGB CCOc1ccccc1/C=C(\C#N)C(=O)Nc1c(Br)cc(C)cc1Br 408925705 SXQXBBONRCHOOT-GXDHUFHOSA-N 464.157 5.464 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C)c1ccccc1 408998323 BACRMMJMUOUXFU-MRAZWZEMSA-N 460.578 5.039 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1nc2ccccc2o1 409044271 VDOHNQQFFDNXFT-CXUHLZMHSA-N 455.728 7.431 50 40 JKGB COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 409129420 JOEVKSALMUMLLH-UBXTYJAUSA-N 469.006 5.867 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)NC1CCCC1 409192029 STDHYPPRJGBYPJ-XKZIYDEJSA-N 475.386 6.147 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 409250724 RVIMHRKLMFBQSX-PPDIBHTLSA-N 465.739 6.058 50 40 JKGB Cc1ccc(/N=C/c2cc3c(cc2O)OC(N)=C(C#N)[C@H]3c2ccc(Br)cc2)c(C)c1 1029882 BWVHIWDYFZKWCG-FNMFPPKFSA-N 474.358 5.740 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)sc2c1CCCC2 2207559 TWXNLUPXTIVVRX-SSZFMOIBSA-N 465.600 5.912 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1C 2375571 ZSKZEYKQULAVGD-GOHCDNDPSA-N 453.567 5.368 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 3113001 DOUBPLORXFBNDX-TWKHWXDSSA-N 473.536 5.277 50 40 JKGB O=C(N/N=C\c1ccc(Cl)cc1Cl)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 8397633 RWRJRJAXAAZVLF-MWYAZZEHSA-N 484.290 5.547 50 40 JKGB CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)NC(C)(C)C)=C(C#N)[C@H]2c1ccc(Cl)cc1 8996098 RJEVLVFNEHGFRW-HXUWFJFHSA-N 458.027 5.053 50 40 JKGB Cc1c(C(=O)N/N=C\c2c3ccccc3cc3ccccc23)nn(-c2ccc(Cl)cc2)c(=O)c1C#N 9095711 DUEMVJRWKRAEOZ-ACXHZZMFSA-N 491.938 5.136 50 40 JKGB CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C/c1cccs1 9339695 GVAUJUDZWQEXSS-GXDHUFHOSA-N 487.400 5.961 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2cccc(Br)c2)n1C)c1ccc2ccccc2c1 9361267 MKBNKGFBZCNRTL-MYYYXRDXSA-N 494.418 5.030 50 40 JKGB N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@H]1c1cccc(OCc2ccccc2)c1 9693515 BXHJICDUVCBLER-DEOSSOPVSA-N 453.567 5.485 50 40 JKGB O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1cccc(OC(F)F)c1 13096489 IHNYQIHZTGHZLJ-AMVVHIIESA-N 492.400 5.531 50 40 JKGB CC(=C/c1ccccc1)/C=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1 13584651 GZTGKTYLMBIQSR-BZGQBJAUSA-N 454.646 5.436 50 40 JKGB CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 14923842 ZEMNQMUDZTVJEV-GDQCRLHRSA-N 479.364 5.200 50 40 JKGB CC(C)[C@H](Br)C(=O)Nc1nc2ccc(OCc3ccc(Cl)cc3)cc2s1 20133465 SAXUWOHEQPJVCN-KRWDZBQOSA-N 453.789 5.887 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccccc1Cl 35494347 ZGJKUMSRSDXFIG-WGARJPEWSA-N 487.781 5.383 50 40 JKGB CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1 38700734 IXRVMOUIHKQLAN-AREMUKBSSA-N 496.588 6.517 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1Cl 59485160 PHGNQJQXLLFSKM-ZDLGFXPLSA-N 489.196 7.408 50 40 JKGB CCN1CC2=C(NC(N)=C(C#N)[C@H]2c2ccc(SC)cc2)/C(=C/c2ccc(SC)cc2)C1 101081871 ULMXWQNSCKIHAV-MFGYPMPUSA-N 460.672 5.184 50 40 JKGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 108018832 BRGNAOFVDVFPPL-LGJNPRDNSA-N 456.329 5.295 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc(F)c1 108085884 JAKYOXRAFUISCX-OCKHKDLRSA-N 497.320 6.538 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 408580584 CRBQBCKZVZBKLN-UDWIEESQSA-N 492.959 5.838 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 408582655 ONTLXNVGMBARHK-VCHYOVAHSA-N 489.196 7.408 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3F)c2C)c1 408744319 DWMXMTOGYQGYHO-WQRHYEAKSA-N 482.353 5.940 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1 408744985 OMTGOSXVFYJLAO-GRSHGNNSSA-N 481.335 6.125 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408760167 SUGXLUOBCZJEFO-NBVRZTHBSA-N 477.314 5.223 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 408773695 IUNUJSQHPZLXOW-UYRXBGFRSA-N 481.337 5.553 50 40 JKGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Br 408793947 GSMXXZYLIFFOFX-LFYBBSHMSA-N 484.575 5.728 50 40 JKGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Br 408798961 XNBSSABSPYGJOI-VGOFMYFVSA-N 464.157 5.383 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1Cc1ccccc1F 408870907 VAXXSVWEZJAFSX-VXLYETTFSA-N 483.370 6.976 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2cc(C)cc(C)c2)cc1 408872651 NMGAIDLJJYKACU-HYARGMPZSA-N 475.386 6.211 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1Cc1ccccc1F 408876535 PTQFMSKKXZNKQH-VXLYETTFSA-N 483.370 6.976 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1ccccc1F 408879163 CSBHZKFXKAQSDS-XDHOZWIPSA-N 450.897 5.921 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1ccc(Cl)cc1Cl 408880429 HTAWOHWJZDMJPH-LUOAPIJWSA-N 498.193 6.652 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OCc1ccccc1 408885619 CXSDXNNBSJDUGG-WOJGMQOQSA-N 462.889 5.171 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(C)cc1 408899267 OWVPMQZVUJULQL-WOJGMQOQSA-N 481.335 6.075 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccccc1OCc1cccc(Cl)c1)c1ccccc1 409001104 GUTWJOVQCMWTRM-TUJXVDMFSA-N 479.964 5.247 50 40 JKGB Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 409001266 ORVQAAQXMSLPBE-PKAZHMFMSA-N 470.554 5.917 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)c(C)n1-c1ccc(Cl)cc1 409137061 TTYJHBIVNSXGPS-KBKYJPHKSA-N 480.848 6.438 50 40 JKGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 409249297 HFLYNDRQDBBVKY-SFQUDFHCSA-N 499.876 5.922 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)cc2Cl)c1 409253500 VDTDOLGTLJAZIJ-WQFTWXBESA-N 465.380 6.665 50 40 JKGB C=C(Nc1cc(C)ccc1N)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1 409333471 KALACCQPDGXTCA-FYJGNVAPSA-N 460.375 6.452 50 40 JKGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 409392513 PXYRNBAIYFSLNN-MUFRIFMGSA-N 488.385 5.744 50 40 JKGB COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(Br)cc3)C3=C2CC(C)(C)CC3=O)cc1 705489 LKMOHLRRHHZFOZ-QFIPXVFZSA-N 478.390 5.399 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(Cl)c(Cl)c1 9261806 TYVNZHFBMQBXBR-XDHOZWIPSA-N 473.400 6.327 50 40 JKGB N#C/C(=C/c1cccc2ccccc12)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 9330792 JJMVHBVFOIHVIW-ZDLGFXPLSA-N 451.463 6.042 50 40 JKGB COC(=O)c1cc(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(C(=O)OC)c1 9806078 BLXSPGZPCJGFMD-WJDWOHSUSA-N 453.907 5.013 50 40 JKGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/C=C/c2ccc(Br)cc2)cc1 13940600 CIIWULKQTIMNKQ-MHPPXLGUSA-N 471.439 6.357 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2nccs2)ccc1OC(=O)c1ccc(Cl)cc1Cl 20175864 XQQXAGBMBFUJDG-NTEUORMPSA-N 488.352 5.613 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)cc3)o2)cc1 35332422 BIPTYZOOKNKBHZ-QRQIAZFYSA-N 456.546 5.096 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12 35353074 MVJYOPKVJNKJOF-KBVAKVRCSA-N 458.521 5.487 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 35494415 ZUZVYUMOGRSCGT-ZMFRSBBQSA-N 492.200 6.028 50 40 JKGB CC(C)CCC[C@@H](C)[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 39341079 DHZKAQAKUFROMZ-IWQVUREZSA-N 465.560 8.050 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 108972923 SSFQAMHNUMUKPU-VYYCAZPPSA-N 486.355 5.174 50 40 JKGB Cc1ccccc1-n1cccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1 108997363 JLAOFXFZUDHLBM-DXJNIWACSA-N 492.579 6.129 50 40 JKGB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 142546650 OVJOEFOKERIQPI-MHZHKKNFSA-N 459.590 5.985 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1 209280796 MYVYWVXJXYVNJY-OJSPLJLUSA-N 451.353 6.357 50 40 JKGB Cc1ccc(/C(C#N)=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1 209493038 QTAVLLPRANHWJG-XQNSMLJCSA-N 454.367 7.554 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccc(Br)cc1 408565782 AIZTWIAYSRSDEH-WQRHYEAKSA-N 492.348 6.506 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(Cl)cc1Cl 408581514 XMABPHZSSUYGPS-GZTJUZNOSA-N 459.170 7.399 50 40 JKGB CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(Br)c1 408756156 UGJFPWCPCBGXPL-JYRVWZFOSA-N 450.130 5.156 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c(C)n1C 408778245 RMJDMPBRWCMLMH-RUMWWMSVSA-N 472.592 6.531 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408788537 KVYHRDWHAAFVDJ-FRKPEAEDSA-N 486.286 6.165 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 408790143 UEDILHVAMZPYCJ-KEBDBYFISA-N 481.379 6.744 50 40 JKGB COC(=O)Cn1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c2ccccc21 408852310 SIRGNVPNBARWTF-MNBJERMJSA-N 490.563 5.344 50 40 JKGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408878822 BPXWTIOEZHKBAH-CZFMFUIASA-N 454.401 6.273 50 40 JKGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1C 408938145 KVNAVLLAKLFTSI-RDRPBHBLSA-N 466.541 5.284 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1Cl 408950347 JHTXPDPDYHRMSA-HAHDFKILSA-N 499.998 6.065 50 40 JKGB C=CCc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(OCC)c1OCc1ccccc1 409022272 LTSVNDBFCRVGLY-MZFJOGFUSA-N 495.579 5.470 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCC(C)C)c(Br)c1 409056069 KPVCUXNGHOBHLG-LZYBPNLTSA-N 492.211 6.101 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1cccc([N+](=O)[O-])c1 409229539 QVJWMLOITILCJZ-CSMVZQPBSA-N 471.513 5.357 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1C 409254592 DWTWOTDBOZWKTO-HZHRSRAPSA-N 483.568 5.574 50 40 JKGB O=C1/C(=C\c2ccc3c(c2)CCN3CCCCl)C(O)=NC(=S)N1CCC1=CCCCC1 1897182 GSLKAGNGVRDFPR-SILNSSARSA-N 458.027 5.036 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c(F)c1 9323127 AWWFOSXCDLHCBD-IPBVOBEMSA-N 476.722 6.000 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)[nH]n1)c1ccc(Br)cc1 9375206 VLYMHTWTOMIGIQ-PKAZHMFMSA-N 489.373 5.572 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1 12600455 QLYNBNVQJPXWNU-LICLKQGHSA-N 498.322 6.035 50 40 JKGB N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1Br 20761045 HMKYEOZMADZIJF-MUFRIFMGSA-N 484.353 5.817 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 20764199 ZFQGNFOAPMMGIE-WKULSOCRSA-N 480.395 6.467 50 40 JKGB C/C(=N/NC(=O)C1CCC(C(C)(C)C)CC1)c1cccc(NC(=O)c2ccc(Br)o2)c1 22746205 ZHCXSYZEYWIGBH-DICXZTSXSA-N 488.426 5.987 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)CCCOc1ccc(C(C)(C)C)cc1 27563407 PYAHWDULGZLFJI-LTGZKZEYSA-N 478.589 5.189 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)S(=O)(=O)c1ccc(Cl)cc1 29764192 LYHRVXKAOKYOIR-ODLFYWEKSA-N 464.852 5.884 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1cccc(C)c1 33621860 HIQQZODLSKVERO-WGARJPEWSA-N 498.420 7.953 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 59117537 OMQFJSBBAHOGJF-ATVHPVEESA-N 467.308 5.767 50 40 JKGB C/C(=N\NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 59473413 YSIOOVQNIQOGKU-NEZLHVBRSA-N 486.424 6.267 50 40 JKGB Cc1cc(/C=C(\C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(I)cc1 108895141 IDAQLGNELZYDNW-XDHOZWIPSA-N 468.294 5.461 50 40 JKGB CC(C)N1c2ccc(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)cc2[C@H](C)CC1(C)C 260572590 XCMLCQWYOYLZRA-TWILBZOKSA-N 462.421 6.023 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC 408539252 URXFPVONWAOQEO-UYRXBGFRSA-N 471.395 6.271 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1cccc(C#N)c1 408566863 IRRZLKWKAMQNJF-JMIUGGIZSA-N 494.186 6.726 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c2ccccc2n1Cc1ccccc1 408745594 TVDNVDWXSKZUSF-HKWRFOASSA-N 470.370 6.306 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1Cl 408792963 CJZDEXZDSIXZOV-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccccc1Cl 408793747 GKCCVJQQXGZBOZ-LDADJPATSA-N 467.750 6.227 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408812956 PYUWCJRZVQOHEX-LICLKQGHSA-N 468.296 6.026 50 40 JKGB Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3c(OC(C)C)ccc4ccccc34)cc2)cc1 408821286 FPZYDXRWBOPPJA-XIEYBQDHSA-N 476.576 7.060 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 408844235 HJHLQJABOCTTRX-FOKLQQMPSA-N 479.783 5.928 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3F)cc2Cl)cc1 408887195 MKIDKYWZKHMTQT-SFQUDFHCSA-N 470.909 5.101 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 408887401 NWEIHEKNVDPLML-MDWZMJQESA-N 497.261 5.380 50 40 JKGB Cc1cc(C)cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1 408890687 XQUSIPPJYNYSTK-RGVLZGJSSA-N 495.804 6.844 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Br)c1 408900568 WEGMUFHKWOGFBD-FYJGNVAPSA-N 461.359 6.191 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCc1ccc(Cl)c(Cl)c1 408978884 ODJXTOPDSXLUSZ-VXLYETTFSA-N 470.356 6.032 50 40 JKGB O=C(N/N=C/c1ccc(O)c(Br)c1)c1ccc(-c2csc(Nc3ccccc3)n2)cc1 409029590 BQWOJMZAAOINAC-DHRITJCHSA-N 493.386 5.786 50 40 JKGB O=C(N/N=C/c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12)c1ccc(Br)cc1 409064970 RICNYVXDBMYUIL-LUOAPIJWSA-N 499.727 5.741 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)c(C)c1 409073464 NJLDBPSLMWJXNT-CPNJWEJPSA-N 466.946 5.270 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 409239247 PAUNJWPOBJCXOC-UCQKPKSFSA-N 472.466 6.983 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)c(C)c1 409256791 NFRAQVQGAMASAB-LPYMAVHISA-N 487.987 6.137 50 40 JKGB O=C(N/N=C/c1c[nH]c2ccccc12)c1[nH]c2ccc(Br)cc2c1-c1ccccc1 1822885 PNONYGHUKJNYMH-MZJWZYIUSA-N 457.331 5.843 50 40 JKGB CCCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(OCC)c(OC)c3)c3ccccc3n2)c1 2090830 KOMZHYJKGBVEPF-NDZAJKAJSA-N 483.568 5.862 50 40 JKGB CCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2240632 BUYWHYXFIOITHF-NLTRVXJZSA-N 453.567 5.314 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2669570 OIZZLHGPACYBOB-YRNVUSSQSA-N 485.676 7.471 50 40 JKGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 3146218 IKHNSCPEXQABBS-CCVNUDIWSA-N 490.401 5.598 50 40 JKGB O=C(N/N=C/c1c2ccccc2c(Cl)c2ccccc12)c1cc(-c2ccncc2)nc2ccccc12 6191236 MTPWNZXIAFJWIA-DPNNOFEESA-N 486.962 7.021 50 40 JKGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 8780866 UMDYPTFZMHAFTN-GBQRZCIWSA-N 465.937 6.060 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 9289357 NAJYYGMSZRJLNC-FOKLQQMPSA-N 452.135 5.709 50 40 JKGB COc1cc(-c2cc(C(=O)N/N=C/c3c(C)[nH]c4ccccc34)[nH]n2)ccc1OCc1ccccc1 9374626 QHUDRMKQLNWEHD-MUFRIFMGSA-N 479.540 5.218 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(I)cc2)c(C)n1-c1cccc2ccccc12 10118541 WQAZPGIUPXNFBY-CVKSISIWSA-N 493.348 5.616 50 40 JKGB CSc1ccc(/C=N/NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2C)cc1 12615436 JATANCHVMJRGKR-KBKYJPHKSA-N 491.585 6.838 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 14151791 ZLZQJLLITTXSCU-CPNJWEJPSA-N 473.985 6.277 50 40 JKGB Cc1cc(OCCn2cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c3ccccc32)ccc1Cl 15931751 YEGIMXZMVFJITG-XDJHFCHBSA-N 473.935 6.367 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)c(C)c1 16733833 PRCIKZQFJQCDBW-FXBPSFAMSA-N 459.553 6.197 50 40 JKGB C/C(=N\NC(=O)c1cccc(Br)c1)c1ccc(OCc2ccc(Cl)cc2)cc1 17201730 ATBJKHQZLFRORH-MFKUBSTISA-N 457.755 5.836 50 40 JKGB CC(C)(C)c1ccc(C(=O)CCSC2=C(C#N)[C@@H](c3ccco3)C3=C(CCCC3=O)N2)cc1 20347910 ZPTQHCPLEOELPC-DEOSSOPVSA-N 460.599 6.012 50 40 JKGB COC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2C)c2ccccc12 20418677 ORZBJKOSVDWBPE-FYJGNVAPSA-N 497.620 6.515 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccccc1Br 26123364 IKOCMJLFVLYJIM-ZMOGYAJESA-N 488.179 5.555 50 40 JKGB CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1 38682410 CKVKDVSMXYMHKT-VWLOTQADSA-N 472.566 5.633 50 40 JKGB COc1ccc(CSCC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1 58927828 JEHXCIQHAQIJAZ-VULFUBBASA-N 454.979 5.311 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCc1ccc(Br)cc1 59445171 BDRVTSXQWHLZQO-DHRITJCHSA-N 473.754 5.454 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1cccc2ccccc12 59445298 AOAGGLDBAGCVGL-JVWAILMASA-N 459.343 5.945 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(CSc2ccccc2)cc1 59473191 ZHXSOAKQSGDHNX-RDRPBHBLSA-N 497.576 6.230 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(C)c1 216046851 NRXFGVIOPCRAAG-FJEPWZHXSA-N 478.423 6.614 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1ccc(Cl)cc1Cl 408580812 RUIRQMWWLFSTDR-VIZOYTHASA-N 467.154 8.082 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)cc2)c1 408758270 HYHTXNFBBASSEN-LDADJPATSA-N 480.351 5.865 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1OCc1ccccc1F 408779254 CKXOFKKYJXOVJM-BKUYFWCQSA-N 460.505 5.746 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1cccc(F)c1 408798805 XBMRUIHIHBISRL-SRZZPIQSSA-N 478.951 6.619 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc2c(c1)OCO2 408807656 DFKOCNWJAXEDEG-BKUYFWCQSA-N 456.473 5.408 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1Br 408808518 PYFFZSFLZRICEL-RMLYBDRJSA-N 482.216 5.378 50 40 JKGB O=C(N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)Nc1ccccc1 408820731 ZLTLKIRJJLSRJO-NHDPSOOVSA-N 450.745 6.002 50 40 JKGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)Cc3ccccc3)cc2)cc1 408847900 VTERMQBSQVZRQO-AJBULDERSA-N 491.547 5.159 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(C)c1OCc1ccc(Cl)cc1 408848514 ZJJNIXLQOYWTHG-OCSSWDANSA-N 456.973 6.382 50 40 JKGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1CC=C 408850085 FLZIOEBSGSBEFO-JDCMOKTRSA-N 473.576 5.957 50 40 JKGB CCOc1ccc(NC(=O)N/N=C/c2cc(C)c(OCc3ccc(Cl)cc3Cl)c(C)c2)cc1 408851216 WKWOLGWFPMANRL-CCVNUDIWSA-N 486.399 6.744 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)c(OC)c2)cc1 408872131 LAEJSYJIQPFFHK-MFKUBSTISA-N 468.553 5.625 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 408876197 JVZCNROMPAUHJX-VFCFBJKWSA-N 498.048 5.395 50 40 JKGB N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408886411 GWXQWYBEUGCUNV-YRNVUSSQSA-N 473.228 5.615 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)c1 408896952 PERPEXMWKIHECP-RGVLZGJSSA-N 461.905 5.990 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 408980253 QDKVIIJXDJMBDP-RASHHNMQSA-N 484.350 5.037 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409190886 ANNUYWIALWSDIE-MFOYZWKCSA-N 493.818 6.590 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc(F)cc1 409234543 LMVFCTRJFUDZBO-MUXKCCDJSA-N 458.892 5.289 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1ccc(O)cc1 409263496 MZRQGOHPLXOKQR-LFIBNONCSA-N 482.323 5.262 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1OC 409319330 DPLBLPDXNSVPHF-RHANQZHGSA-N 496.991 5.879 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 409376833 BOVIWDFYVGIQOB-CCVNUDIWSA-N 478.420 5.344 50 40 JKGB N#C/C(=C\c1ccc(N(CCCl)CCCl)cc1)C(=O)Nc1ccc(Br)cc1 704220 IOBZOVHHOBDOAG-DTQAZKPQSA-N 467.194 5.279 50 40 JKGB C[C@H](Br)C(=O)[C@](CCN(C)C)(c1ccccc1)c1ccc(Br)s1 1594088 NEOBPZJCEAMOKD-SCLBCKFNSA-N 459.247 5.101 50 40 JKGB CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 1816493 MJILEGNCNCUHDV-JVWAILMASA-N 492.004 5.229 50 40 JKGB O=C(NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1)c1ccc(-c2ccccc2)cc1 1994282 NDCFYHPZUZPPET-UHFFFAOYSA-N 495.380 6.483 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3cccc(Cl)c3)N(c3ccccc3)C2=O)cc1 2354488 YSRYQYXAAXMSHR-QPQMVVSWSA-N 473.985 5.713 50 40 JKGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1cccc(Br)c1 3174614 XINSGMBVRHWVRV-DHRITJCHSA-N 473.754 5.211 50 40 JKGB C=C(C)c1cccc(C(C)(C)NC(=O)NNC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c1 3227688 PJAZZEMWZCYLNZ-UHFFFAOYSA-N 473.602 5.308 50 40 JKGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C 3380894 YAAYXZCXIPDQIE-CXUHLZMHSA-N 467.875 5.276 50 40 JKGB COc1cc(OC)c(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Br 8398811 PFJIKBPZNSJHSX-FOKLQQMPSA-N 490.181 5.082 50 40 JKGB O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(I)cc1 10118413 BYJBEWCVPVRQFC-BHGWPJFGSA-N 484.215 5.334 50 40 JKGB Cc1ccsc1[C@H]1C(C#N)=C(n2cccc2)N(c2ccc(Br)cn2)C2=C1C(=O)CCC2 12463221 NSEUOADJHSHHLT-NRFANRHFSA-N 491.414 6.019 50 40 JKGB CN(NC(=O)[C@@H]1C[C@H](c2ccccc2)N(c2ccccc2)O1)c1ncc(C(F)(F)F)cc1Cl 12949781 QFOKLZMNDZWBGK-UXHICEINSA-N 476.886 5.173 50 40 JKGB CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1 13715154 IWEDNUGKLLLFGC-BDPRQDHOSA-N 486.641 5.634 50 40 JKGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC3CCCC3)c(Oc3ccc(C(C)(C)C)cc3)nc12 13778982 PUCCSFOJVRBQIZ-KNTRCKAVSA-N 470.573 5.059 50 40 JKGB COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccccc2F)cc1 17473087 ILWVFONJXZYRFB-RCCKNPSSSA-N 452.489 5.292 50 40 JKGB CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C(C)=O)=C(C)N1 20347629 JQAHHZSFXOVNFX-DEOSSOPVSA-N 482.005 5.396 50 40 JKGB CCOC(=O)/C(C#N)=C\c1cc(Br)c(OC(=O)/C=C/c2ccccc2Cl)c(OC)c1 27563714 RGJQQXKZDIFSDN-GMCRPGLXSA-N 490.737 5.200 50 40 JKGB O=C(CCCCCCCC[C@H](F)CBr)OCc1cc(Oc2ccccc2)ccc1F 98174863 KOVNYXPRSDSLFK-FQEVSTJZSA-N 483.393 7.515 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccccc1C#N 107996294 UMPZGNSDOBIZPX-OCSSWDANSA-N 465.509 5.072 50 40 JKGB CC(=O)N/N=C1\CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1(C)C 118932436 RCFQMFZAFWOVMT-VHHGMSGSSA-N 468.770 8.156 50 40 JKGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1C 408743450 AHWZFWCUDLRKTG-BOPFTXTBSA-N 450.882 5.210 50 40 JKGB COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CCSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 408751558 YDIFGQSNCDGBNS-VWABVVPWSA-N 497.664 6.544 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1 408752613 FHMSCFGHYLMJJD-HZHRSRAPSA-N 468.534 5.462 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408796503 YLXVUVAUMYBBGV-LDADJPATSA-N 453.325 6.127 50 40 JKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C 408804582 YNQMHHWBWVLRQQ-DEDYPNTBSA-N 470.598 5.769 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 408805830 LTHMCEKGGQUVFM-XDHOZWIPSA-N 467.352 6.517 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(OC)c2)cc1 408807573 DHIDRMMONIIGEE-XQNSMLJCSA-N 478.548 6.290 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C)cc2)c(OC)cc1Cl 408836972 XJRGCRJEGATALG-UDWIEESQSA-N 462.933 5.790 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3ccccc3Cl)c(OCC)c2)cc1 408872752 IEKDSMKOJFIFCX-DEDYPNTBSA-N 495.406 6.927 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccccc1 408895936 OMLKWVFQFSMOES-XDHOZWIPSA-N 477.904 5.772 50 40 JKGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 408906747 KAEYPQWSONFEJU-LUNPLWTBSA-N 495.579 5.226 50 40 JKGB N#C/C(=C/c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1ccc(Cl)cc1 409065686 ITXGIMGJOMYKRA-VBKFSLOCSA-N 473.337 5.307 50 40 JKGB COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)ccc1OCc1ccccc1Cl 409116356 PFYPSBDWIQIONV-FLOSOGMCSA-N 469.006 5.867 50 40 JKGB Cc1ccc(-c2ccc(/C=N\NC(=O)CSc3ccc(Cl)cc3)o2)c(Br)c1 409208071 APPHGENVJLIFLO-KSEXSDGBSA-N 463.784 5.913 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c1C 409249394 HTSOKDIBKOIKHY-ZHZULCJRSA-N 459.933 5.520 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C 409250604 NDYZMLRMBUQGFL-UDWIEESQSA-N 489.959 5.529 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1 409314887 UGIZJCSTNLPULJ-DXJNIWACSA-N 496.563 5.626 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(I)cc1 3303984 NPTOTHNLLWDQQT-QGOAFFKASA-N 467.310 5.244 50 40 JKGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c2ccccc21 4062340 LBWMDYGDGZYQJU-IBBHUPRXSA-N 460.459 5.273 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccc(Cl)cc1Cl 4788362 WJEBYHBNUPAAGU-IPBVOBEMSA-N 491.205 7.067 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCC(=O)c3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 9014916 UZPJHGQTZUJKRR-DEOSSOPVSA-N 493.028 6.030 50 40 JKGB COc1cccc(-c2csc(/C(C#N)=C\c3ccc(OCc4ccccc4)c(OC)c3)n2)c1 9059288 CTSBMFVDBHLSMV-XKZIYDEJSA-N 454.551 6.470 50 40 JKGB C/C(=N\NC(=O)CSCc1ccc(F)cc1Cl)c1cccc(NC(=O)c2sccc2C)c1 20426851 QKKBZKXHHIJRLY-JFLMPSFJSA-N 490.025 5.875 50 40 JKGB Cc1ccccc1CSCC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 28215844 CKWYVLNZDUZLOY-RPPGKUMJSA-N 460.430 6.093 50 40 JKGB O=C(CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21)Oc1ccc([N+](=O)[O-])cc1 33355184 NJMVLPOBNWZVFL-UHFFFAOYSA-N 474.513 5.599 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OC(C)C 33537564 IDMGNARJZWEPML-PXNMLYILSA-N 478.286 5.449 50 40 JKGB CCCCCCCC[C@H](Br)[C@@H](Br)CCCCCCCC(=O)OC 100051947 QNMTXFWVHQDSNR-ROUUACIJSA-N 456.303 7.168 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)ccc1Oc1cccc([N+](=O)[O-])c1C#N 101207527 QJFNCGIAOURVII-GZTJUZNOSA-N 451.442 5.516 50 40 JKGB CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1OC 408540423 RNZAAUBTDQWFDF-UQQQWYQISA-N 461.400 5.961 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(OC)c1OCc1ccc(C)cc1 408543988 UFZYIISHBLKKKI-OYKKKHCWSA-N 482.536 5.555 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)c1nc2ccc(F)cc2[nH]1 408565989 CSQBJIBSUBFBHN-BOPFTXTBSA-N 495.295 5.950 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 408580358 OUUORHRWKDIPEE-YBFXNURJSA-N 467.352 6.392 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1 408580600 PWIIJTCBMBVIHR-LZYBPNLTSA-N 479.190 7.952 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(Br)cc1 408599726 JPVFITDAXHWEND-CVKSISIWSA-N 452.396 5.918 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c([N+](=O)[O-])cc1OCc1ccccc1 408735671 VYUHYBQNWYRYGI-VXLYETTFSA-N 477.904 5.690 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1cccc2ccccc12 408735906 ZGLABKRYSYENCK-OEAKJJBVSA-N 482.967 6.935 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)c1 408745341 LXCFJPOSTIRPPK-ZHZULCJRSA-N 466.497 5.542 50 40 JKGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)c1ccc2ccccc2c1 408766018 YQFILLDIPWYTFL-VUTHCHCSSA-N 480.545 5.525 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c(C)n1-c1ccccc1 408767149 JIZFFHGYTDKRHK-FOKLQQMPSA-N 491.183 5.089 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 408778423 FVFSUMYNOFUFNW-JWGURIENSA-N 462.391 5.757 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccccc1C#N 408788147 IPFVJWIWUJYJTL-MFKUBSTISA-N 463.537 5.728 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)Nc1ccc(Cl)cc1Cl 408788289 CAUGUNHPCQNHKG-GHXNOFRVSA-N 461.688 6.151 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)cc1 408795427 LBRWXPQTYOKAJK-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 408813111 OCVJAEAGPPVBEE-WOJGMQOQSA-N 459.373 5.937 50 40 JKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 408834558 VJPGXPCSYSXYJU-PTGBLXJZSA-N 496.994 7.407 50 40 JKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Br)c1 408868586 AJJOSRSBTUBCCA-CIAFOILYSA-N 461.359 5.908 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408937213 NFXYREWFSFGKBB-ITYLOYPMSA-N 460.533 6.390 50 40 JKGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2C)c1 408941669 QCFXKVWUPGFYRS-XKJRVUDJSA-N 490.913 5.472 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C(=O)O)cc1 408962358 HSGYKNGDMZOBDO-IPPBACCNSA-N 486.446 5.145 50 40 JKGB COc1cccc2cc(C(=O)N/N=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)oc12 408971213 HIVAPGFJAKYIRF-VFLNYLIXSA-N 492.362 6.515 50 40 JKGB Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 409049097 WFFJSWRMMWIMKM-VCHYOVAHSA-N 455.316 6.566 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2ccc(C)cc2Br)o1 409232986 JJKXRAZKOHTZAL-FOKLQQMPSA-N 492.167 5.553 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)cc2C)cc1 409256077 JOJAJEGIFFIOEO-VYYCAZPPSA-N 494.389 5.156 50 40 JKGB N#CC1=C(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)NC(=O)C[C@@H]1c1ccc(F)cc1 409322905 YNCYBMVOYHVPCW-CQSZACIVSA-N 483.874 5.208 50 40 JKGB O=C(CCCCl)O/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc21 3064292 GZBLEHNLVULCIN-MOHJPFBDSA-N 460.144 5.460 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)c1 8811105 LDUQTYKUJPPMSM-MUFRIFMGSA-N 474.944 5.853 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccccc1OCc1ccccc1Cl 9282529 QEFVTFLGDTUZBH-JOCHJYFZSA-N 454.917 5.527 50 40 JKGB CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(C(=O)OCC)c1C 9470667 GJLDVNIESMSBMJ-PDGQHHTCSA-N 495.626 6.127 50 40 JKGB N#CC1=C2SCN(c3cccc(Cl)c3)CN2C(=O)C[C@@H]1c1c(Cl)cccc1Cl 9693567 AWIWZHFNNYMQBQ-AWEZNQCLSA-N 450.778 5.866 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OCc1ccc(C)cc1 12586119 BPQLWOZJKVVSHL-HYARGMPZSA-N 471.513 5.735 50 40 JKGB COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)c1ccc(Cl)cc1Cl)oc1ccccc12 12629585 VRIGVLUYVAJDEY-XODNFHPESA-N 484.339 6.036 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccccc1Cl 20348462 XCVUEBAWIAKNLR-DEOSSOPVSA-N 494.016 5.446 50 40 JKGB Cc1ccc(CN2c3ccccc3C3=C([C@H](c4cccc(Cl)c4)C(C#N)=C(N)O3)S2(=O)=O)cc1 20558596 YOGVJHBMVGDNJY-HSZRJFAPSA-N 489.984 5.175 50 40 JKGB COc1cccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1 33656090 IVWOXZWKNGOXLF-MXAYSNPKSA-N 473.754 5.454 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 33659401 NKKBXSPAXBBBOT-IUXPMGMMSA-N 459.716 7.198 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)c(C)n1-c1ccccc1Br 34771741 RZRSKSXPKVFMSP-VULFUBBASA-N 462.347 5.479 50 40 JKGB Cc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 35154892 VPBSVNWMPFJBGX-YUMHPJSZSA-N 483.484 5.341 50 40 JKGB CCOc1cc(/C=N\NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 36245416 QVNJRUHQCIVISJ-ZBAXCIJOSA-N 470.613 6.216 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccco1 58980115 DSUOIMXPIYOBDG-LQKURTRISA-N 473.916 5.528 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1 59303865 CQZLHRSAJZXFFH-RUMWWMSVSA-N 472.592 6.624 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)cc1[N+](=O)[O-] 108163290 SXUGBJUMQBUATH-SSDVNMTOSA-N 450.432 5.050 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccc(Cl)cc1 408675899 CEPWOLJZSZGMEP-RDRPBHBLSA-N 477.992 5.682 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3cccc(C)c3)n2)cc1 408724195 HMSGYGIQSNOGKF-NDZAJKAJSA-N 460.537 5.773 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OCC 408727097 XDMJEIGTONTHBI-WQRHYEAKSA-N 455.352 5.575 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c1 408761830 BSDHQBNBBUHYLW-XMHGGMMESA-N 491.341 5.613 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OCC 408790762 YJXMMCWXRSSUPC-LICLKQGHSA-N 490.341 5.251 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408808834 FSKQGQGLTLAGPN-YVLHZVERSA-N 481.867 5.521 50 40 JKGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1cccc(Cl)c1Cl 408851653 LQSHCADVBFPTBP-WQLSENKSSA-N 461.688 6.151 50 40 JKGB Cc1sc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)c(C#N)c1C 408857547 OGERHZVSEVZHKK-RAWMCFOBSA-N 495.402 5.917 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)ccc1OCc1cccc(C(=O)O)c1 408858438 PDBBSVGPSQFNIP-UUYOSTAYSA-N 456.498 5.135 50 40 JKGB Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1 408887864 RROQFKPKWLQRCP-YZSQISJMSA-N 460.577 7.198 50 40 JKGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)o2)c1 408983012 JQQOCHICMZSAPV-DHDCSXOGSA-N 455.297 5.894 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OC)c1OCc1ccc(C(=O)O)cc1 409071099 NHKQFXIBZKWDSH-BUVRLJJBSA-N 482.536 5.555 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCC)c(Br)c3)cc2c1 409191028 YUZNMFAYSOQAMI-KSEXSDGBSA-N 465.731 5.410 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)c(C)c1 409220438 ZNQKDKKDIDYRIZ-XSFVSMFZSA-N 459.933 5.520 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1C 409258431 XAURDHRHKRBEIB-UDWIEESQSA-N 461.905 5.947 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)ccc1OCc1cccc2ccccc12 409381381 TVSJIIWVAWWAQQ-UXHLAJHPSA-N 459.590 5.190 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cccc(F)c1 409393348 QKRGAGRWIAZGPB-IUXPMGMMSA-N 487.712 6.793 50 40 JKGB N#CC1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@H]1c1ccc(Br)s1 1436473 AVRSFRVFLKUSFL-GOSISDBHSA-N 494.336 5.834 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1OCc1ccc(Br)cc1 2078174 PRBMCNXVWDVSLI-VULFUBBASA-N 483.362 5.118 50 40 JKGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 3109513 VGQBFFLZRNHNCD-LGJNPRDNSA-N 459.398 5.956 50 40 JKGB Cc1cc(C(=O)N/N=C/c2sc(N3CCCCC3)nc2-c2cccs2)c(C)n1-c1ccccc1 3297872 RXJZUHZFWLORGZ-WPWMEQJKSA-N 489.670 6.033 50 40 JKGB CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 8918900 SKJBBFNOQZMMIH-NWJPQEHXSA-N 484.600 5.166 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1ccc([N+](=O)[O-])cc1)C(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl 9076163 OZZUUVZBNLSQPG-OAQYLSRUSA-N 483.355 5.842 50 40 JKGB CCOC(=O)/C(C#N)=C/c1cc(OC)c(OCc2ccc(Cl)c(Cl)c2)cc1Br 9235178 QYUSCUGKGBVNLK-VGOFMYFVSA-N 485.161 5.814 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1Cl 9310244 KDPVDPIILGSAGZ-LZYBPNLTSA-N 479.190 7.952 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1ccc(O)cc1 9323549 BTPJMBHLBSFQCN-LZYBPNLTSA-N 484.295 5.732 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)c(C)n1-c1ccccc1 12525010 YIWHPHKSHGZTLI-XQNSMLJCSA-N 485.534 6.893 50 40 JKGB COc1ccc(/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(C3CCCCC3)cc2)cc1OC 12952498 HISXCSLIGRMNHN-ZXVVBBHZSA-N 489.619 7.668 50 40 JKGB Cc1cccc(C)c1NCC(=O)N/N=C\c1cc(Br)ccc1OCc1ccccc1 13285934 YQOJNOQFBBXEKF-VYYCAZPPSA-N 466.379 5.207 50 40 JKGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)NNC(=O)c1sc2ccccc2c1Cl 13764294 SJFOSTREESTNEX-UHFFFAOYSA-N 477.398 5.421 50 40 JKGB O=C(NCCSSCCNC(=O)Nc1cccc2ccccc12)Nc1cccc2ccccc12 13775573 OWHUASDYMYDPKK-UHFFFAOYSA-N 490.654 6.318 50 40 JKGB Cc1c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2O)c2ccccc2n1Cc1ccccc1Cl 16249816 TYJXKARDIAUQHU-LGJNPRDNSA-N 462.893 5.029 50 40 JKGB CCOC(=O)COc1ccc(Br)cc1/C=N\NC(=O)c1cc2c(ccc3ccccc32)o1 16682836 MYSDWOLZKHVVMV-ZMFRSBBQSA-N 495.329 5.054 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCc2cccc3ccccc23)=C(C#N)[C@@H]1c1ccccc1Cl 20189221 XWXCLJVXTPDLLR-SANMLTNESA-N 487.024 6.852 50 40 JKGB N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@@H]1c1cccc(OCc2ccccc2)c1 20238351 WOTQZWUUZCDGDX-RUZDIDTESA-N 467.594 5.481 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1C 33614638 HVYLCRKXMRKYLK-WOJGMQOQSA-N 491.016 6.114 50 40 JKGB CC[C@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1 33617301 VAMDQCBGIWKRME-JXGPUUQSSA-N 485.584 6.207 50 40 JKGB CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)cc1 33683900 IFRAESHMUOYQAO-RGXNXFOYSA-N 499.010 6.600 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 59104331 HFNSRGPXSMMIMR-HMAPJEAMSA-N 467.529 5.058 50 40 JKGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cccc(I)c3)cc21 208245630 PHLYPSBTRMRBRJ-LFWZTCNZSA-N 495.792 5.431 50 40 JKGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cccc(I)c3)cc21 208465057 DSUNUVPYHCBHEO-WYMPLXKRSA-N 493.776 5.340 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)c(C)n1-c1cccc2ccccc12 408587326 FIOMZFSWKBXUPX-VULFUBBASA-N 462.347 5.479 50 40 JKGB CCOc1cc(/C=N\NC(=O)OCc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1 408718696 YBJNVSUAPAUFNG-YSMPRRRNSA-N 452.894 5.218 50 40 JKGB C/C(=N\NC(=O)CSCc1ccccc1Cl)c1ccc(NC(=O)c2ccccc2)cc1 408719478 GEFBDEIEOSBTJS-WPWMEQJKSA-N 451.979 5.366 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccccc2C)n1 408726689 SRJHVJIJFGETBX-UXHLAJHPSA-N 489.535 5.981 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccccc1 408744544 YLXYUYQCSFNJIV-PDGQHHTCSA-N 478.302 5.482 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccc(Cl)cc1Cl 408768917 LXBHBIXCAJCXPK-UNOMPAQXSA-N 496.394 6.193 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1ccccc1Cl 408796832 QEFVJORIVHSZLZ-WOJGMQOQSA-N 467.308 5.816 50 40 JKGB CCOc1cc(C)c(/C=N/NC(=O)c2c(-n3c(C)ccc3C)sc3c2CCCC3)cc1C(C)C 408845921 NPXDUWBZXPZAFC-MUFRIFMGSA-N 477.674 6.629 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccc(Cl)cc1 408891200 MXKQOMOCDFLABX-YBFXNURJSA-N 477.904 5.690 50 40 JKGB CC[C@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Cl 408934015 CFUIPOCLLASGMY-FKLQAHIASA-N 486.015 7.047 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1cccc(Cl)c1Cl 408952302 NDGHFBYDMYEZON-MOSHPQCFSA-N 477.395 6.148 50 40 JKGB O=C(CCc1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 409043370 QKVDUVPVRHONID-RDRPBHBLSA-N 487.397 6.264 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OCC)c1OCc1ccccc1Cl 409071691 KZLDWYXRDUNIAY-PXLXIMEGSA-N 490.962 6.731 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1cccc(F)c1 409214759 UGQWDYSQLRPPGR-ODLFYWEKSA-N 497.320 6.538 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12)c1ccccc1 409231304 JSRMNKBCBNFPPL-CBAAQYGVSA-N 482.971 5.718 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2)c(C)c1 409255621 IAOQYHVPUKTKQF-UDWIEESQSA-N 493.485 5.885 50 40 JKGB COc1ccc(CC(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1OC 409366769 YBLDUWREXHUXOR-VYYCAZPPSA-N 473.356 5.282 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)c1cccc(F)c1 409391523 IJVMVRZUGGYUND-YVLHZVERSA-N 469.285 5.809 50 40 JKGB Cc1ccc(NC(=O)N(NC(=O)NC2CCCCC2)c2nc(-c3ccc(C)cc3)cs2)cc1 1415250 BZPJCUNASHYTBJ-UHFFFAOYSA-N 463.607 6.012 50 40 JKGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C)cc1 1888419 BZOWRJSFLOHFJE-JUJXNAJKSA-N 461.370 5.291 50 40 JKGB COc1ccccc1C(=O)N/N=C/c1cc(/N=N/c2cccc(Br)c2)ccc1O 8722595 FQYCAQQGOCMBAW-JLUADYMRSA-N 453.296 5.343 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(Cl)cc1Cl 9262396 LRVNOJGKVRLFFQ-WOJGMQOQSA-N 459.373 5.937 50 40 JKGB N#C/C(C(=O)Nc1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 9909870 IMMVMQAZWAOHQD-JSIHEXFSSA-N 477.948 5.544 50 40 JKGB N#C/C(=C\c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)c1nc2ccccc2s1 13810916 GJUSCLFHWVGOFW-SDNWHVSQSA-N 491.359 6.467 50 40 JKGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)c(Br)c1 16158146 VYWRDHHFWOQUSW-XYOKQWHBSA-N 459.141 5.547 50 40 JKGB COc1ccc(/C=C(/C#N)c2nc(-c3cc4cc(Cl)cc(Cl)c4oc3=O)cs2)cc1 16215792 HQSYWPHHCCCWDV-NSIKDUERSA-N 455.322 6.296 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 20764958 CWARLMTZZJGGLC-STBIYBPSSA-N 458.945 6.235 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)cc1C 27018590 PIBIHVPJFXQZKY-PTGBLXJZSA-N 473.580 6.587 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)NC1CCCCC1 59249673 SKUMWHPZZOCELS-RAXLEYEMSA-N 465.800 6.203 50 40 JKGB Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1 59292051 LNTMUVVZXSBPMI-UDWIEESQSA-N 451.353 6.735 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(F)cc1 59335935 AYHWFMIDSDYTJG-BOPFTXTBSA-N 471.315 6.266 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1Cl 105052055 WRPSCJZTNSLHNM-KKMKTNMSSA-N 490.774 5.623 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1ccccc1F 107642720 DNNSKEXGUZGFRF-BOPFTXTBSA-N 453.267 6.140 50 40 JKGB CC(=O)Nc1cccc(C(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c1 107930743 XUXQQUXOSDOBSY-MUFRIFMGSA-N 471.944 5.795 50 40 JKGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc21 208259649 NODWEFDEWVPFGV-OFAQJKEFSA-N 488.813 6.335 50 40 JKGB CO[C@@H]1C[C@@H]2[C@@H]3CC=C4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@H]1C(C)=O 253613864 KUJXAJMABXMSCW-ALMUWXHWSA-N 460.775 7.170 50 40 JKGB biogenic,in-vitro N#C/C(=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc(Br)cc1 408532575 QIQRIHMZYCLWNA-WQRHYEAKSA-N 459.170 7.399 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1OC 408580589 CTPYKLMFZFSERO-YBFXNURJSA-N 484.777 6.763 50 40 JKGB O=C(NNc1cccc(OCc2ccc(Cl)cc2)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408610424 UFSKKLJNAZLXJP-KRWDZBQOSA-N 470.356 5.069 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1cccc(F)c1 408742488 PGLRFMJSFIFIHT-ZDLGFXPLSA-N 481.321 5.721 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc(OC)c1OCc1ccccc1 408745566 NZBKCDAYWLAAPO-JLPGSUDCSA-N 468.553 5.947 50 40 JKGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 408781721 DHIXTKGZMDYPSW-SGWCAAJKSA-N 498.048 5.277 50 40 JKGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408790519 PWECHNPJYUKDCL-SFQUDFHCSA-N 496.350 5.565 50 40 JKGB Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1C 408794690 AUPKNFCUEKWYPF-SRZZPIQSSA-N 465.380 7.043 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl 408804081 COPMIRVEMBUCAO-KGENOOAVSA-N 487.386 7.580 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)cc(C)c1OCc1ccc(F)cc1 408854873 APLAMSGHUBDTOS-KBVAKVRCSA-N 469.560 6.193 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1Cc1ccccc1Br 408871286 WTDMTXCVAINXGL-DEDYPNTBSA-N 465.778 6.547 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccccc1Cl 408881704 LVETYEWGDHDACJ-LUOAPIJWSA-N 498.193 6.652 50 40 JKGB N#C/C(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1ccccc1C(=O)O 408889617 HVWDHJVKANFNKA-FOWTUZBSSA-N 467.308 5.816 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCc1ccccc1 408965179 GSOFGTOLPWLQBO-CCVNUDIWSA-N 496.336 5.201 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(OC)c1OCc1ccccc1F 409023289 WSXRFTMVJIZSPE-MNDYBZJGSA-N 492.934 6.305 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)c1C 409073500 PTTICEHCQKBZTL-CPNJWEJPSA-N 466.946 5.270 50 40 JKGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)ccc3C)=C2C#N)cc1Cl 409311988 IMXHKBVXUPCZNR-HNNXBMFYSA-N 476.385 5.021 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)NC(=O)C[C@H]1c1ccc(F)cc1 409324795 VQJGRYKYKFOIMK-AWEZNQCLSA-N 483.874 5.208 50 40 JKGB C=C(Nc1cc(C)ccc1N)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 409333132 HXVYLLZIOOWKQY-UDWIEESQSA-N 473.407 7.420 50 40 JKGB CCCCCCCn1c(O)c(C(=O)N/N=C/c2cccc(Br)c2)c(=O)c2ccccc21 2290538 WYIGCKQIKKMYDZ-WGOQTCKBSA-N 484.394 5.204 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(C)c2)C(=O)N1c1ccccc1 2351418 DNMCTGBRSGKUOP-GOHCDNDPSA-N 469.566 5.069 50 40 JKGB Cc1cc(C)cc(N/C(SCc2c(F)cccc2Cl)=C(/C#N)S(=O)(=O)c2ccccc2)c1 2689740 UCBYYMKJBAMCQQ-WCWDXBQESA-N 487.021 6.608 50 40 JKGB N#C/C(=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1ccccc1C(F)(F)F 2801040 MFAPHANICYBZPU-LDADJPATSA-N 461.443 6.311 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccccc1[N+](=O)[O-])c1ccc(OCc2ccccc2)cc1 3090691 DJYSTDSPCBXQKA-RDRPBHBLSA-N 481.508 5.517 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccc(Cl)cc3)c2Cl)cc1OC 3373494 ULMFRFFBWHMSRP-GXDHUFHOSA-N 457.317 5.050 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccc(Cl)cc1 5948585 BEUPOAIURGYUEV-RDRPBHBLSA-N 473.960 5.872 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cn(-c3cccc4ccccc34)nc2-c2ccccc2)cc1 8399305 XMTIJGKEYCUQMQ-NDZAJKAJSA-N 460.537 5.855 50 40 JKGB N#C/C(=C/Nc1cc(Cl)ccc1Cl)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 8817393 LYGQOSJEEKMEIP-QINSGFPZSA-N 490.371 7.353 50 40 JKGB CCCOc1c(I)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC 9187131 LFFTXASFZKNNCV-NTEUORMPSA-N 459.287 5.029 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 9200917 MKUARPOCORHSFZ-MZJWZYIUSA-N 457.357 6.043 50 40 JKGB N#CC(C#N)=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@@H](C(=O)C2CC2)N2c3ccccc3C=C[C@@H]12 9371022 YCTYCODSHQCPSX-QGAYDTHSSA-N 467.572 6.151 50 40 JKGB CCc1ccc(-c2nc(C(=O)NNC(=O)NCC(c3ccccc3)c3ccccc3)cs2)cc1 9578431 HXAHDPASDSXPCF-UHFFFAOYSA-N 470.598 5.149 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC 12140010 SKAXHJKYIUVXGI-OVCLIPMQSA-N 457.349 5.663 50 40 JKGB CC(C)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C2C#N)cc1 12249946 KMDWUVCTCXJXAT-KRWDZBQOSA-N 473.520 5.539 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)ccc1OCc1ccccc1Cl 12419535 LSHDHMWQKQQVIL-HSZRJFAPSA-N 498.922 5.069 50 40 JKGB CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)cc1 13806746 CRKBJZIMHXVMGW-OBGWFSINSA-N 450.523 5.723 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(C(=O)O)c1)C(=O)Nc1cccc(C(F)(F)F)c1 15226344 XDOIKUIPMBNORI-WQRHYEAKSA-N 466.415 5.528 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)ccc1OCc1ccccc1 20368442 AKQNAQFOZWBEPA-XMMPIXPASA-N 464.525 5.191 50 40 JKGB Cc1cccc(CN2c3ccccc3C3=C([C@@H](c4cccc(Cl)c4)C(C#N)=C(N)O3)S2(=O)=O)c1 20558649 HZUMMVWYOIJVJU-QHCPKHFHSA-N 489.984 5.175 50 40 JKGB COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OCc4ccc(F)cc4)c(OC)c2)C(C#N)=C(N)O3)cc1 22818775 FJZAORFUSLEQAN-DEOSSOPVSA-N 498.514 5.030 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1cccc(C(=O)O)c1 33473394 HHLZKRKCYWXDBR-ZDLGFXPLSA-N 482.305 5.938 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C\c1cc(C)n(-c2ccc(Br)cc2)c1C 33499821 LMTAFKNQFXHUNO-DICXZTSXSA-N 476.374 5.782 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OCc1ccccc1 33557633 KTGGGTPJUHCIOZ-LGJNPRDNSA-N 495.944 5.814 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccccc1 33663083 LDQLQLQTGMEERR-GRSHGNNSSA-N 462.889 5.171 50 40 JKGB C/C(=N\NC(=O)CSCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 58916701 AGVQTZYGTPOMOW-DNDVPWARSA-N 485.628 6.426 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 59034413 OKAHJZIKIZEZTE-DHRITJCHSA-N 451.935 5.303 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2F)c2ccc(Br)cc12)C(=O)NCc1cccs1 59087057 BBXPWINRRHMIMB-LICLKQGHSA-N 494.389 5.876 50 40 JKGB C/C(=N\NC(=O)c1ccc(CSc2ccccc2)cc1)c1cccc(NC(=O)c2ccccc2)c1 59473768 XIXYLGWBAWNDCD-NJZRLIGZSA-N 479.605 6.385 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(F)cc1 59536670 GPICXFSRYXMOLG-ZDLGFXPLSA-N 483.293 6.148 50 40 JKGB Cc1cc(C)c2c(-n3cccc3)c(C(=O)N/N=C/c3ccc(Br)cc3)sc2n1 96336483 CVHQQPZBVHLOBA-FSJBWODESA-N 453.365 5.230 50 40 JKGB O=C(c1ccc(Br)cc1)[C@@H](Br)[C@@H](Br)c1ccc([N+](=O)[O-])o1 98042991 NRMSNTHDPHOSHS-RYUDHWBXSA-N 481.922 5.033 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(I)cc3)o2)c1 408746121 RCPJZZFWOFQSNQ-VBKFSLOCSA-N 454.267 5.405 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 408746156 XOTJJULDVBHPIW-ODLFYWEKSA-N 467.352 6.435 50 40 JKGB C=CCOc1c(Br)cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OCC 408768803 JOAIDDRFUMIIDB-ROTLSHHCSA-N 471.273 5.195 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCC#N 408793650 FYQZLCDTNTZYNQ-NTUHNPAUSA-N 495.160 5.603 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 408808030 MFLUACJPMPXUCT-QKYNSWKVSA-N 480.439 6.907 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Cl)c2)cc1 408808351 FQTVFYMGPHCSLP-HZHRSRAPSA-N 466.968 7.235 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1c(C)ccc2ccccc12 408815509 QMOLXIYSPJINAT-JJIBRWJFSA-N 462.549 6.672 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(F)cc2)c(OC)cc1Cl 408832131 RIBRJLPOPNILMG-WOJGMQOQSA-N 466.896 5.621 50 40 JKGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 408850141 GQSRELUJPCLSEN-YQYKVWLJSA-N 479.580 6.180 50 40 JKGB C#CCOc1c(CC=C)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 408856798 LMTPFBGNAWJZKI-YSMPRRRNSA-N 481.346 5.098 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1Cc1ccccc1Cl 408866721 IKLFUWGNMDTSMF-WOJGMQOQSA-N 467.352 6.234 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1Cc1cccc(F)c1 408877462 WAQWGHZJUQHVJH-RQZCQDPDSA-N 455.316 6.278 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408880690 GUAUOCWZHMKKFC-RQZCQDPDSA-N 476.190 7.437 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1cc(C)cc(C)c1 408888146 XGVPYCJNMSOHMI-BUVRLJJBSA-N 484.552 5.613 50 40 JKGB CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c1C 408905159 UMKWJWYZXGDDBR-WGARJPEWSA-N 467.411 6.191 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 408936490 KMJKUUDVVAZRPU-NDENLUEZSA-N 451.353 6.680 50 40 JKGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(OCc2ccccc2)cc1 409120286 YXSIDMUMTMGSJX-LGJNPRDNSA-N 459.398 5.956 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCCOc1ccc(Cl)cc1 409201222 OPRWEGPWUJXIAA-QGOAFFKASA-N 468.962 5.091 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)ccc1OCc1ccc(Br)cc1 409224677 LFNGHYRZXGDBFZ-JVWAILMASA-N 497.389 5.128 50 40 JKGB N#C/C(=C/c1cc(Cl)cc(I)c1O)C(=O)Nc1cccc(C(F)(F)F)c1 409238889 OFEJFVPHSBBLKM-WMZJFQQLSA-N 492.622 5.215 50 40 JKGB O=C(COc1ccc(Br)cc1)N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 409250057 VXURIJWCFXYUEC-VYYCAZPPSA-N 480.337 5.120 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1OCC 409319361 FAFRKXYSIQWLCL-RHANQZHGSA-N 480.536 5.365 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(Br)c1OCc1ccc(Cl)cc1 409369961 IGUKMQCPRRZFRN-JMIUGGIZSA-N 479.761 6.626 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)[nH]c2c1 409392860 SPORPXCZPGLMNF-ATVHPVEESA-N 481.943 5.882 50 40 JKGB COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1ccco1 409398446 TUJMRJKRHJAYHP-UHFFFAOYSA-N 479.492 5.420 50 40 JKGB COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 707866 BULQSZFUUNIHEJ-NGQVCNFZSA-N 476.576 6.159 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc(C(F)(F)F)c1 716003 VOJOLCXPYUUJIP-HSZRJFAPSA-N 498.501 5.744 50 40 JKGB O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1sc2ccccc2c1Cl 1783936 UESTVEXFSZKISV-AUEPDCJTSA-N 460.298 6.140 50 40 JKGB Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1 2297311 DKJRYEQXYBBYPI-CVKSISIWSA-N 468.026 5.655 50 40 JKGB COc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1 8400426 UDEXJQUOSYONJO-VWLOTQADSA-N 485.565 5.239 50 40 JKGB CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1 12250205 IQRJUDAHJXUJJG-JOCHJYFZSA-N 455.942 5.136 50 40 JKGB O=C(N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)[C@@H]1COc2ccccc2O1 12524102 PYPOOKHBSKHCQS-NGUGDGFLSA-N 473.532 5.588 50 40 JKGB O=C(CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31)N/N=C/c1ccc(O)cc1 13536092 MSNZRLIJCGQZSO-BIAHDLMSSA-N 470.617 5.238 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1 15228215 GAGBMCFXRTUMIZ-GXDHUFHOSA-N 457.711 5.917 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccc2ccccc2c1 19826113 NEBPTJPCTXYURS-MWAVMZGNSA-N 491.620 6.028 50 40 JKGB N#CC(NC(=O)c1cccs1)=C(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1 27988164 ZYUQSUKAIGPNFB-UHFFFAOYSA-N 463.436 7.062 50 40 JKGB Cc1ccc(OCCCOc2ccc(/C=C(C#N)/C(O)=N/c3nc4ccccc4s3)cc2)cc1 41120639 LOHBXDOHFXUORW-HEHNFIMWSA-N 469.566 6.648 50 40 JKGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 58927952 MWKGDZDOJQPXKX-HEOQCTJZSA-N 459.398 6.203 50 40 JKGB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 67192573 KOHZFKFTBLGOLC-NUGSKGIGSA-N 468.680 5.344 50 40 JKGB N#CC1=C(SCC(=O)Nc2nccs2)N=C2CCCC(O)=C2[C@H]1c1cccc(Cl)c1Cl 104155014 RJGAGPISISJBQG-KRWDZBQOSA-N 491.425 6.091 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3)c2)c(C#N)c1C 408547039 QTRFIERZRBREKF-CIAFOILYSA-N 470.550 5.403 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1ccc2ccccc2c1 408548067 CQYHHIUWGKLVOZ-MBTHVWNTSA-N 490.400 8.399 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 408585803 IVOWHAGVDGFKKY-DHDCSXOGSA-N 456.241 6.666 50 40 JKGB N#Cc1ccccc1COc1c(Cl)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Cl 408678434 ZBVALOLGAWRRIO-OKCVXOCRSA-N 493.394 5.808 50 40 JKGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Br 408744273 KARRKGZDWQMWJX-LCYFTJDESA-N 450.130 5.156 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2C#N)cc1 408792720 CDBPTDLXHPUCTD-UDWIEESQSA-N 488.341 5.454 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(Cl)cc2)cc1 408815211 QQDXNOPQPBNROM-DEDYPNTBSA-N 476.916 5.260 50 40 JKGB CC/C(=N\NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccc(OC)c(OC)c1 408838632 YQLFTPVUGBXBMM-VEWQFJOQSA-N 499.655 5.703 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCc1ccc(Cl)cc1 408895993 MJFHQGXDAHIPPB-LICLKQGHSA-N 487.770 6.780 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 409027300 GGFIPLXXZNTPTP-QUPMIFSKSA-N 491.657 5.435 50 40 JKGB CN1C(N)=C(C#N)[C@H](c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C2=C1CCCC2=O 409144739 OUYORSAJSCMLLE-QFIPXVFZSA-N 479.367 5.174 50 40 JKGB O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccc(Cl)c(Cl)c1 409153394 LNIYAHJNVJORBV-SSDVNMTOSA-N 457.155 5.015 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1 409261043 AKNRGQDKYRMPMH-HAHDFKILSA-N 453.542 5.483 50 40 JKGB CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1Br 409312311 FNAMYZGIKHWPBY-YSMPRRRNSA-N 483.362 5.199 50 40 JKGB CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3C)=C2C#N)cc1 409317589 QLOVIXWEGPPDLC-INIZCTEOSA-N 458.008 5.081 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1OC 409321107 GQULAPJYAJDREH-MBTHVWNTSA-N 487.383 6.134 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1 409365681 RLQWTASTPHLZNE-NTFVMDSBSA-N 450.966 5.627 50 40 JKGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)CNc3cccc4ccccc34)o2)ccc1Cl 409389787 AGXWIUILSLPJCX-CCVNUDIWSA-N 461.905 5.102 50 40 JKGB COC(=O)c1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)c3ccccc32)o1 409393626 RLXDRCLJQGCCQA-UYRXBGFRSA-N 453.498 5.232 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cc(C(F)(F)F)ccc1Cl)C(N)=C(C#N)[C@@H]2c1cccs1 713608 BVEIKLNOSKTTFA-LJQANCHMSA-N 477.939 6.361 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1OCC(=O)Nc1ccccc1C 873379 UXPFPXUTVHGZMU-NDEPHWFRSA-N 491.547 5.393 50 40 JKGB CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1 2697877 KYHVYOKESJGXAT-HSZRJFAPSA-N 451.979 5.305 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccccc1Cl 2946227 GUTDAOKAQLYQCT-RPPGKUMJSA-N 491.744 5.593 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc(C#N)c1 8812844 VYDQTJJHRMFHHF-UVHMKAGCSA-N 498.764 5.326 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccccc1 9317185 FJRLBELTURPREB-OFWBYEQRSA-N 497.668 6.173 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(CSc3ccccc3)c2[C@@H]1c1ccc(F)c(Oc2ccccc2)c1 9330053 MIBXZLVYSVYHTH-HSZRJFAPSA-N 470.529 5.852 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OC(=O)c1ccc(C)cc1 10060115 SANRSECXUAAJOV-CVKSISIWSA-N 481.346 5.139 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 12559882 QQWUKMGVIUADCX-UKTHLTGXSA-N 473.407 6.140 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2ccccc2)s1)c1cccc(Br)c1 13564399 HQLDBVGNXZLXHA-BKUYFWCQSA-N 493.477 5.225 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 14151784 ZKRDVLBQAARQPV-CPNJWEJPSA-N 473.985 6.277 50 40 JKGB O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 14166490 WNNSGHSGDFDFKT-RCESSOHCSA-N 491.616 5.477 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)cc1C 27019820 WHXVCDKITZCTHT-XLNRJJMWSA-N 459.553 6.197 50 40 JKGB N#C/C(=C/c1cccc2ccccc12)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 27490367 SVZZVBDXJLSADE-ZDLGFXPLSA-N 485.362 6.896 50 40 JKGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c1 33499565 KOCKZEYQOYGVSV-LGJNPRDNSA-N 456.329 5.295 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccccc1C#N 33762929 VXGXPMRWQHOSBH-UKWGHVSLSA-N 490.313 5.881 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 59201527 XTXYHXZTTPYMLQ-NDENLUEZSA-N 481.379 6.825 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC 59474994 YFTLWYQKVCGGMQ-WQRHYEAKSA-N 455.352 5.575 50 40 JKGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)c1C 67197003 PKQIIVBOYIMWKU-NSKAYECMSA-N 465.764 6.361 50 40 JKGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)o1 96401665 JQCBHMSPOIMMOF-LGMDPLHJSA-N 476.508 6.301 50 40 JKGB O=[N+]([O-])c1ccc(OCCC[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c1 104170866 SDJPLXDEGHTRRH-UHFFFAOYSA-N 477.928 5.744 50 40 JKGB CC(C)C(/C=C\c1ccc(Cl)cc1)=N/NC(=O)N/N=C(\C=C/c1ccc(Cl)cc1)C(C)C 104304524 OGFXKULYNBRQQS-PIPXUBLSSA-N 471.432 7.043 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(I)c1OC 408535624 ZDKQAIJJWWPSOF-ZSOIEALJSA-N 484.131 5.525 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408569455 NUPXSBKPFLGPPZ-ROTLSHHCSA-N 493.437 6.261 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(Cl)c2)cc1 408790794 YUXOZHJPLWKSKW-ZVHZXABRSA-N 452.941 6.926 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1ccc(O)cc1 408792760 CAXQFQHJUZTVDO-GZTJUZNOSA-N 483.749 5.933 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1Cl 408793504 FORRVLRQOBXTPX-XDHOZWIPSA-N 497.378 6.525 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1cccc2ccccc12 408800576 PVNLFGXNNIRBDN-AZVXTCMLSA-N 462.549 6.212 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)o2)cc1 408844266 BQYSECXWFYLIQP-MXAYSNPKSA-N 481.302 5.396 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Cc2ccccc2Br)c1 408876539 PVSYTQSALXSVOR-LPYMAVHISA-N 475.386 6.211 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OC(=O)c1ccc(Cl)cc1 408879031 DVJNYUHGLORETC-CPNJWEJPSA-N 490.899 5.202 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3F)ccc3ccccc23)c1C 408889596 HLKNAPAZQXXOAF-XQNSMLJCSA-N 450.513 6.720 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3C#N)c2)c([N+](=O)[O-])c1 408890421 SVQPCUNOCGJPGI-VCHYOVAHSA-N 469.413 5.021 50 40 JKGB Cc1c(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)sc2ncnc(N)c12 408973656 NOWUZLMFQNEZMB-VVEOGCPPSA-N 467.554 5.078 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCc1ccc(F)cc1 409015482 AWIJGNKNFWZCFI-NVJOKUIPSA-N 487.314 6.230 50 40 JKGB CC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C)cc1 409035517 JEPYMTAHDUUIFC-MZFJOGFUSA-N 486.575 6.276 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccccc1 409041532 WBHFAXSGQSENMB-VQNDASPWSA-N 497.598 6.973 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 409042191 BUGOQRWOIKMNDJ-LZYBPNLTSA-N 486.286 6.165 50 40 JKGB Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 409044243 UVACJDDDHUFHKK-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)c1 409092384 VEYBNSCZJKFCEU-BOPFTXTBSA-N 467.403 6.260 50 40 JKGB Cc1ccc(SCCC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 409130095 KIMSBIPGFPPZFH-VULFUBBASA-N 460.430 6.342 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4cccc(F)c4)c(OC)c3)cc2c1 409187842 UYJFSQVTCAFCKQ-MBTHVWNTSA-N 462.477 5.322 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)c(Cl)c1 409214385 XEBSYDOVEYPWQX-ODLFYWEKSA-N 469.324 6.943 50 40 JKGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(Br)cc3C)=C2C#N)cc1 409335593 PGDLMMLQQXPXJW-SFHVURJKSA-N 484.419 5.085 50 40 JKGB Cc1c(-c2ccc(/C=N/NC(=O)c3ccccc3NC(=O)c3ccccc3F)o2)cccc1[N+](=O)[O-] 1796346 TTZOBWUJXFYOBQ-RWPZCVJISA-N 486.459 5.319 50 40 JKGB Cc1cc(C)cc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1 2283804 ZKJGLOXZKCQLIM-WJDWOHSUSA-N 478.371 6.272 50 40 JKGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@@H]1c1ccc(C(C)C)cc1 2309590 CMUUEDKHKFIYNA-GOTSBHOMSA-N 491.613 5.377 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 2424685 ZUCMXQWANBJFIB-MZJWZYIUSA-N 471.340 5.684 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)cc1Cl 4091331 BXSXNPKTPXJSJW-IPBVOBEMSA-N 497.304 5.509 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccccc1 4196449 BIQKDRQLMNWRRD-UDWIEESQSA-N 477.358 5.891 50 40 JKGB C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 8742351 ZUJZTWMLRLGWNV-MIDUAYCOSA-N 491.183 5.021 50 40 JKGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 19953357 QBFRBBMLKXPTBH-YZSQISJMSA-N 490.412 5.038 50 40 JKGB C/C(CCc1ccccc1)=N/NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 20247289 CRXTWVQHWJOABH-HVDKMIPXSA-N 457.599 5.199 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccc(Cl)cc1Cl 20760468 KGZYTGVUVYQWOZ-BHGWPJFGSA-N 465.178 5.927 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccccc1Br 26123428 ZDXQMBSUFHSYBB-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB COc1ccc(/C=C(/C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1 27061511 MGJJLGMWWAIEIP-LGMDPLHJSA-N 477.998 6.850 50 40 JKGB CC(=O)Nc1cccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)c1 33684309 BAPBNNUJHIAJJK-CFRMEGHHSA-N 468.922 5.122 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(C(=O)O)o1 33705777 VCHHRLGVJLQNBH-YBEGLDIGSA-N 466.877 5.073 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 59297158 WIRITOXWOKERPS-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(OCc2ccccc2)cc1 59517104 ZIPKIJGIEPBKFS-LQKURTRISA-N 484.383 5.832 50 40 JKGB C#CCOc1c(I)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OCC 408550010 CMKMGUCHHKJVPB-MTJSOVHGSA-N 479.317 5.919 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)Cn3cnc4ccccc43)c2C)cc1[N+](=O)[O-] 408691476 AAHAJWUJTSIVML-UNOMPAQXSA-N 469.501 5.136 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2cc(C)c(C)c(C)c2C)c2cccc(Cl)c2)cc1 408721597 VKPRXKPRPZPQDX-MBTHVWNTSA-N 498.048 5.228 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(F)cc1 408759985 PMZFTISZSZPAPH-STZFKDTASA-N 491.360 6.441 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)c(C)n1-c1ccccc1 408777704 GJOMAINLHZWUMQ-OPEKNORGSA-N 450.753 5.583 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1Cl 408815875 VMPYOABOKCLTGB-FOWTUZBSSA-N 498.366 6.669 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OC 408836475 RPTAPIHAMBFBIS-XQNSMLJCSA-N 456.542 5.917 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OC(=O)c1ccc(OC)cc1 408883290 UTNBZHHUXSKQIM-CPNJWEJPSA-N 476.916 5.512 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(OCC)c2)cc1 408884893 VXQYRBFDOGEQBM-HZHRSRAPSA-N 472.516 5.538 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1Br)C(=O)Nc1cccc(Cl)c1 408892021 XHZXLAVLQOJAII-LDADJPATSA-N 467.750 6.227 50 40 JKGB CC(C)(C)c1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc(C(C)(C)C)c1O 409009840 IQCMRUHLWRQFKO-YKQZZPSBSA-N 458.602 6.183 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1ccccc1F 409190367 XSXLVEBXSKNHNE-YVLHZVERSA-N 473.342 5.142 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCC(=O)Nc1ccccc1C(C)C 409315353 IZQIOCXWPWHIDY-BWAHOGKJSA-N 490.603 7.444 50 40 JKGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 409391830 LRWDZGDMPYIGJC-FJEPWZHXSA-N 478.379 6.288 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12 2727026 OFVUPFLLRUSPFH-DEDYPNTBSA-N 474.391 7.159 50 40 JKGB O=C(NCCSCc1c(Cl)cccc1Cl)[C@@H]1Cc2ccccc2[C@H]1C(Cl)Cl 3170891 ODWHGOCRXCLUDO-RDTXWAMCSA-N 463.257 6.103 50 40 JKGB COc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1 4209861 AFQITYDZJVXYTF-VULFUBBASA-N 464.930 5.546 50 40 JKGB CCCCOc1ccc(/C=N/NC(=O)c2ccc(N/N=C/c3ccc(OCCCC)cc3)cc2)cc1 12563926 SGUCWRDVCVIFBA-KZOHAVLASA-N 486.616 6.254 50 40 JKGB COc1ccc(/C=C/C(=O)c2ccc(O)c(CCCl)c2)cc1OCc1ccc([N+](=O)[O-])cc1 13011065 UUTKDWZZRUFRRC-RUDMXATFSA-N 467.905 5.565 50 40 JKGB N#CC1=C(N)O[C@@H]2[C@@H](C(C(F)(F)F)=NN2c2ccccc2)[C@H]1c1ccc(Cl)cc1Cl 16488889 HUXGBZDILHAPAC-FRQCXROJSA-N 453.251 5.182 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2C)=C(C#N)[C@@H]1c1ccc(C)cc1 20081388 SICLLFBONQGFCF-SANMLTNESA-N 487.625 5.409 50 40 JKGB Cc1ccc(CN2c3ccccc3C3=C([C@@H](c4cccc(Cl)c4)C(C#N)=C(N)O3)S2(=O)=O)cc1 20558594 YOGVJHBMVGDNJY-QHCPKHFHSA-N 489.984 5.175 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)c(C)n1-c1ccccc1F 28216122 JTWYLAFWCWOANS-BRJLIKDPSA-N 474.399 5.379 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1cccc(Cl)c1Cl 28217435 IXQTZMFWFFVGKO-YSURURNPSA-N 465.724 5.726 50 40 JKGB CCCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 33367909 ADWVRHWYDBLPIT-GDNBJRDFSA-N 463.759 5.836 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OCc1ccccc1 59117462 CCHIRIXRNPQHCS-LDADJPATSA-N 453.325 6.127 50 40 JKGB C/C(=N\NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 59473412 YSIOOVQNIQOGKU-SSVJFZKPSA-N 486.424 6.267 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)c2C)c(C)c1 96398861 DJHSFANRDNHHBM-BWAHOGKJSA-N 478.600 5.192 50 40 JKGB CCOC(=O)c1sc(N/C=C(\C#N)c2nc(-c3cccs3)cs2)c(C(=O)OCC)c1C 101035243 OYQINBLEYYYWES-JLHYYAGUSA-N 473.601 5.572 50 40 JKGB ClCCN(CCCl)c1ccc(/C=N\c2ccc(/C=C/c3ccnc4ccccc34)cc2)cc1 104378071 HLSCFSNLCFKPKZ-LFFDHKFZSA-N 474.435 7.440 50 40 JKGB Cc1cc2c(cc1/C=N/NC(=O)c1cc3cc(Cl)ccc3o1)[C@@H](C)CC(C)(C)N2C(C)C 223593020 QHULDMNYCJMQCL-GRJIBALVSA-N 451.998 6.659 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)cc1OC 408578811 BDJQCMFFYGYNJU-DEDYPNTBSA-N 450.332 6.109 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCC(N)=O 408579060 CVTIFDBRRJXUJW-LFYBBSHMSA-N 470.150 5.083 50 40 JKGB CCOc1c(I)cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc1OC 408585633 GRKWROYUHFBCMC-MLPAPPSSSA-N 474.125 6.069 50 40 JKGB O=C(N/N=C/c1ccccc1Cl)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 408726785 UTKYZIJAEQDXAK-AJBULDERSA-N 476.967 6.624 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)c(Cl)c1 408741096 NYAJYHCGWIQWNJ-KBVAKVRCSA-N 482.971 5.962 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 408765360 PEGLQICPAQWKQM-SFQUDFHCSA-N 467.308 5.767 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408789013 HCODKRVRBVIDKP-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1F 408798333 WDYUDFNMZOVNTB-YBFXNURJSA-N 495.348 6.030 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(C)c(C)c1 408801706 BCIDVGZSFLQZAH-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)c(OC)cc1Cl 408829380 NUGCWENWIZRGFT-RGVLZGJSSA-N 492.959 5.799 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 408881438 NCJUYEUXPCDFAD-WOJGMQOQSA-N 493.903 5.390 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OC(=O)c1ccc(OC)cc1 408892073 AQNLDXDOUGPPHW-DEDYPNTBSA-N 490.943 5.821 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 408892468 BSVHJUXXQDVBOH-CPNJWEJPSA-N 466.946 5.270 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccc(C)cc1 408963811 PLBUDHJHCHQSFC-VTNSRFBWSA-N 496.529 6.484 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2C)c1 408981435 BGCQEAXZONYOLH-BKUYFWCQSA-N 461.949 5.778 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 408982503 HLAWMNBJSWAMCP-ZDLGFXPLSA-N 471.771 7.080 50 40 JKGB CCOc1ccccc1N(CC(=O)NN=C1CCCCCCC1)S(=O)(=O)c1ccc(Cl)cc1 409128663 SYHFJTBLRNYFPU-UHFFFAOYSA-N 492.041 5.151 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 409223583 IPSZPJCWPDDKGR-WOJGMQOQSA-N 490.903 5.120 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 409241206 SBBNVECUJKPCIH-LJUMEUDFSA-N 489.978 6.158 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3C)c(Cl)c2)c1 409265167 QZCCAAAASTYSNK-YBFXNURJSA-N 494.378 6.173 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1OCC 409316586 LOOVRYACDPNOQV-MBTHVWNTSA-N 487.383 6.134 50 40 JKGB Cc1cccc(Cn2cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@H](N)[C@H]3C#N)c3ccccc32)c1 409336485 OHAXZMWOTTZBRS-UHCJVHAKSA-N 456.553 5.206 50 40 JKGB CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1OC 1905786 UZDRZGGUISCGJH-KGENOOAVSA-N 461.587 5.857 50 40 JKGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)C(c2ccccc2)c2ccccc2)c(OCC)c1 1911583 WCESRROSXITYJI-HAVVHWLPSA-N 455.510 5.293 50 40 JKGB CC[C@H](Nc1cccc(C)c1)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 2110802 WXOCVUQFVXUIIV-JEWPKMHUSA-N 480.406 5.677 50 40 JKGB C/C(=N\NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccc(OC(F)F)cc1 12563699 MONKAARMKSFDMG-FJEPWZHXSA-N 465.887 6.311 50 40 JKGB N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@@H]1c1cccnc1 14944148 MJUYBXXPJASMPL-JOCHJYFZSA-N 472.346 5.044 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccc(C)cc1 20080611 RDENSMPYRACRGB-XMMPIXPASA-N 494.016 5.446 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1 20198071 PPQDHFCXIRDPGG-RDRPBHBLSA-N 483.524 5.880 50 40 JKGB O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NN=C1CCCCCCC1 20214597 LEFDTWBBEGZPSM-UHFFFAOYSA-N 482.433 5.405 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(OCC)c1OCc1ccccc1Cl 33645671 QSJSYTQVYORTME-HAHDFKILSA-N 483.999 7.295 50 40 JKGB CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 59333153 IZJAGJJNMFJAGP-QLYXXIJNSA-N 481.644 5.196 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(-c2ccccc2)cc1 59335990 WSKVUKJXTCQRHK-XQNSMLJCSA-N 486.402 7.614 50 40 JKGB C/C(=N\NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 59473501 WAXVYHLPEXFWDG-NJZRLIGZSA-N 479.605 6.385 50 40 JKGB C[C@H]1CN(c2ccc(NC(=S)P(=O)(c3ccccc3)c3ccccc3)cc2)C[C@@H](C)O1 95676388 UWARWWPGGWACSH-BGYRXZFFSA-N 450.544 5.011 50 40 JKGB COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(O)c(OC)c3)C3=C(O)CCCC3=N2)cc1 104104880 KVKLGQOACWFDPO-DEOSSOPVSA-N 491.569 5.051 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccccc1C#N 107856069 PTJYWZHHIXYFNQ-MZJWZYIUSA-N 486.509 5.033 50 40 JKGB Cc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1 209491489 XJJXZGLYVKBGSG-UDWIEESQSA-N 483.203 7.163 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1 408545377 YJMCXXAHXMLOMP-NVMNQCDNSA-N 467.308 5.816 50 40 JKGB CC(C)(C)c1cc(/C=N/NC(=O)c2cccc(I)c2)cc(C(C)(C)C)c1O 408749986 VTXHTAKMNHBZLK-ZMOGYAJESA-N 478.374 5.356 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408794096 RIBMHBAMYVHPFX-KEBDBYFISA-N 491.931 5.998 50 40 JKGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC 408795668 MEIICQXWSUFDPK-XNTDXEJSSA-N 461.743 5.612 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(Cl)c(Cl)c2)cc1 408805425 JZBGUXYSLRFKDI-LDADJPATSA-N 483.351 6.135 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1sc2c(c1C#N)CCCC2 408815913 VWONNIANLVONCO-ODLFYWEKSA-N 451.517 6.989 50 40 JKGB Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1 408869679 SYBWDCZXVBSRPU-ZVHZXABRSA-N 473.414 6.819 50 40 JKGB Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1 408886709 ILBNILQGZBDVKC-SRZZPIQSSA-N 465.380 7.043 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1cccc2ccccc12 408894893 JPULUJPKBZDWMJ-LYBHJNIJSA-N 468.512 6.758 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc2ncccc2c1 408965896 JPJUPNWLGBLYQT-ODLFYWEKSA-N 461.352 6.495 50 40 JKGB N#CC(C#N)=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c([N+](=O)[O-])c1 408989886 JGLYTJHACZYNQA-UHFFFAOYSA-N 483.534 6.039 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1cccc(C)c1 409190719 QDAFTPDZXGDTDG-ODLFYWEKSA-N 469.379 5.311 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)c1ccccc1 409245758 YTGFXZZYMSUVFS-MKYLKIGJSA-N 459.933 5.142 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1OCC 409320350 CULIMKNMZZKPKK-NTFVMDSBSA-N 466.965 5.789 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccc(F)cc1 409393168 PJQXAHXGMLWCOZ-NVMNQCDNSA-N 456.286 6.379 50 40 JKGB COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)c(-c3ccccc3)c2c1 409394717 FBBXNDJZBGISAB-UHFFFAOYSA-N 489.531 5.827 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1 1184315 AFNINXLJNNMQNT-UDWIEESQSA-N 495.348 5.399 50 40 JKGB COc1ccc(/C=N/NC(=O)c2sccc2C)cc1COc1ccccc1Br 2103331 SXIOVDZTOZTWLG-FSJBWODESA-N 459.365 5.171 50 40 JKGB CC[C@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3cc4c(cc3Cl)OCO4)c3ccccc3n2)cc1 2109501 DIWKQURDNYCEOW-ZTCTXGLISA-N 485.971 6.561 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OC(=O)c1sc2ccccc2c1Cl 2181662 HOBYHCDYUYVQBF-MZJWZYIUSA-N 494.956 5.555 50 40 JKGB CCCc1ccc(-c2cc(C(=O)NNC(=O)Nc3cccc(Cl)c3)c3ccccc3n2)cc1 2761549 DFGGXYNDYGQZHC-UHFFFAOYSA-N 458.949 5.974 50 40 JKGB C/C(CCc1ccccc1)=N\NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 8843191 OTPNIRMGZCTZTA-QFMPWRQOSA-N 453.630 5.880 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1 12285036 RTKBUMZGCHJZEU-DEDYPNTBSA-N 476.916 5.562 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1cccc2ccccc12 13939812 IZCNKPFRXBAOFV-BCGDRIGESA-N 456.542 5.020 50 40 JKGB N#CC1=C2SCN(Cc3ccco3)CN2C(=O)C[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 20238397 KRJXSYNJRYTHML-QHCPKHFHSA-N 492.000 5.727 50 40 JKGB Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3C)c2C)c1 20243618 BCKUPNJKVPZXNF-LGJNPRDNSA-N 484.463 5.857 50 40 JKGB CC(C)(C)CC(C)(C)NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1 20467913 DBQKJLMRQSTLJR-PXLXIMEGSA-N 475.036 6.490 50 40 JKGB Cc1cc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc(C)c1Cl 30937436 XLOAMGBMLNZQIA-UVHMKAGCSA-N 471.340 5.359 50 40 JKGB N#C/C(=C/c1ccccc1)C(=O)O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 33581477 YOQVTGWUYFVEOV-CHMLTUNVSA-N 461.861 5.078 50 40 JKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1OC 33880929 AEPKXLUSSRZQKS-RGEXLXHISA-N 484.943 5.756 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)c1 34255317 URJUEXMAFHYPGR-QNGOZBTKSA-N 469.972 6.596 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 35317581 KCOBKZIIANVBAS-PPDIBHTLSA-N 490.774 5.737 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccccc1Cl 59117383 PFTFVKYQOJOJDN-LICLKQGHSA-N 487.770 6.780 50 40 JKGB N#C/C(=C/Nc1ccc(Br)cc1F)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 100843742 BSCILIOZGFPKOK-RGEXLXHISA-N 476.374 7.355 50 40 JKGB CCCCCCCCCCCCCCCCCC(=O)N/N=C\C(=C\c1ccccc1)CCCCCC 104166610 CGSZWHVBQYSBQA-UTCZWQDFSA-N 496.824 10.404 50 40 JKGB CCN1c2cc(C)c(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)cc2[C@H](C)CC1(C)C 208316389 ORMLCBGGNNMMCQ-TWILBZOKSA-N 462.421 5.943 50 40 JKGB COc1cc(/C=C(\C#N)C(N)=S)cc(Br)c1OCc1ccc(Cl)cc1Cl 408545156 ZGSJIHGQGKPAEF-UUILKARUSA-N 472.191 5.537 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl 408725055 GKPKYXYMEAEYEA-ODLFYWEKSA-N 467.352 6.435 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1ccccc1 408742525 PNDOQDFKEJLUNU-MFOYZWKCSA-N 468.296 6.026 50 40 JKGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 408755511 QNBUFSKZEMEYTD-KBVAKVRCSA-N 462.471 6.130 50 40 JKGB CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OC 408759008 WLKKERXDEJPXNG-GZTJUZNOSA-N 498.320 5.397 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408777409 YLGMEUYDQXWBEF-YSMPRRRNSA-N 493.626 7.247 50 40 JKGB N#C/C(=C\c1ccc(-c2ccccc2C(=O)O)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408788433 DAGUBZVHCGQYSC-CAPFRKAQSA-N 464.477 5.769 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1C 408794275 RUKNTIQYCMLQHI-UDWIEESQSA-N 461.905 5.990 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2OC)c(Br)cc1OCc1ccccc1 408851642 DYMDGIQVEKFMEN-CVKSISIWSA-N 483.362 5.199 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)c(OC)c1 408870044 VACOJDSDWNFOAB-RGVLZGJSSA-N 480.923 5.299 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 408878755 ARQKDZPOCYFSQH-DHRITJCHSA-N 473.754 5.454 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccccc1F 408880818 KYYMQECDSHHQKM-LICLKQGHSA-N 481.867 5.521 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccccc1Cl 408963402 NUWZBUVHLNAEEW-XKJRVUDJSA-N 497.300 6.364 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1ccc(F)cc1 409036554 RRDGUYHIQCGHOC-FDAWAROLSA-N 462.528 6.212 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 409147717 VVSAROKGGSSWRL-NRFANRHFSA-N 473.743 6.150 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 409147720 VVSAROKGGSSWRL-OAQYLSRUSA-N 473.743 6.150 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(OCc4c(F)cccc4Cl)cc3)CC2=O)cc1C 409264229 PWLGTHHQVNGKDJ-DZELJBCFSA-N 493.966 5.178 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Br 409267358 UCFMDTLVTHMTBU-XDHOZWIPSA-N 492.329 5.747 50 40 JKGB C=C(/C(C#N)=C/c1ccc(Cl)cc1Cl)N(Cc1ccc(Cl)cc1Cl)c1ccccc1N 409331012 BICDAZGPWZUTEJ-VCHYOVAHSA-N 489.233 8.010 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(I)cc1 409367948 PEXFSHLEJUCVGJ-PTNGSMBKSA-N 476.111 6.378 50 40 JKGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OCc2ccccc2Cl)c1 1439541 RTKBQMQPUZBPEM-CPNJWEJPSA-N 476.916 5.260 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)ccc1OCc1ccc(F)cc1 10013821 NWEPSCCFVJZGLI-XMMPIXPASA-N 482.515 5.330 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)c1 13174284 DJBLBMXUPUBROF-HSZRJFAPSA-N 463.990 5.449 50 40 JKGB CCCSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1 20010816 QSRLADCWQWXDMJ-OAQYLSRUSA-N 458.414 6.471 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1 20082553 GMRQPEUYQIDCSR-XMMPIXPASA-N 494.016 5.446 50 40 JKGB COc1cc(/C=N/NC(=O)CC(C)C)cc(Br)c1OCc1ccccc1Cl 28217827 FWICPFWGGGXZTQ-FOKLQQMPSA-N 453.764 5.186 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(C)c2)cc1 32636390 HMDSRCBBJFGBHP-NKFKGCMQSA-N 492.579 6.191 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 34878252 PDKIRUJCOGNGMW-ATVHPVEESA-N 474.429 5.240 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c1 34895662 DPUGRDMMWLHFKZ-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccn2)ccc1OCC(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 40161125 KKYLSUGHMCHASF-BGWMMQOTSA-N 459.590 5.350 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12 59201405 UPUPBQCSVIXHNX-XSFVSMFZSA-N 470.370 6.306 50 40 JKGB O=C(F)[C@@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F 95681861 YSIGVPOSKQLNTO-FONMRSAGSA-N 498.060 5.355 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccco3)cs2)ccc1OCC(=O)Nc1ccccc1 96306223 YMLZHHBIPXVHKX-PDGQHHTCSA-N 457.511 5.493 50 40 JKGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 209386996 WDTMWBBVOXXOMB-FLIBITNWSA-N 452.124 7.106 50 40 JKGB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1 408735254 OZPOKCWAQXGTHY-HZHRSRAPSA-N 490.003 6.559 50 40 JKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1C 408752654 JATKZLUGIGXKPZ-ZDLGFXPLSA-N 468.782 6.364 50 40 JKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(Br)c3)o2)c(Br)c1 408755987 QFUGYUUJBMFGEJ-GXDHUFHOSA-N 486.163 6.326 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cccc(Br)c1 408756588 WKYIAGBQVXXLMZ-XYOKQWHBSA-N 462.130 6.562 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc(Cl)cc1 408793998 HMXRMMBEBQGUQS-LFVJCYFKSA-N 486.999 6.900 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1cccc2ccccc12 408811770 OFRVKOBCEGMFLI-XHOYQDIRSA-N 476.576 6.602 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OC 408814037 PQZIEXOINDAOSF-YKQZZPSBSA-N 487.987 6.277 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1cccc(Cl)c1 408857498 OUSFCFLWKMWOAM-VCHYOVAHSA-N 485.342 6.656 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Cl)c2)c(OC)c1 408873552 RSXRZNDZVOSGAO-RGVLZGJSSA-N 480.923 5.299 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2Cl)cc1 408884978 WJTRCQSUIQBWOL-KGENOOAVSA-N 479.805 6.801 50 40 JKGB COc1cc(Cl)c(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC 408890145 OPWAINPLSDWACY-RWPZCVJISA-N 475.029 5.741 50 40 JKGB CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 408954413 WWYQREKGTIQMHT-SKBUGYKVSA-N 479.758 5.799 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OC(C)C 408965822 IVUOCZDFTJXJSP-OPEKNORGSA-N 473.289 5.418 50 40 JKGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc(-c4ccc(C#N)cc4)o3)oc12 409024436 SMQRCXYIUZJJMI-BRJLIKDPSA-N 464.275 5.099 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409072302 BQLNJKWUUBSDFY-GHRIWEEISA-N 480.929 5.712 50 40 JKGB COc1cc(/C=C(\C#N)c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 409072371 VFXHEOJNRODELT-XDHOZWIPSA-N 484.371 5.598 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(F)cc1 409217132 SEIZQLRLNCGJSN-ODLFYWEKSA-N 452.869 6.429 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409226478 SZQDWSQDYDDYSG-PXLXIMEGSA-N 469.541 5.265 50 40 JKGB CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OCC)c1 409331591 DSRJUJOZCCKBAP-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)ccc1OCc1ccc(Br)cc1 409363776 NIDVQDPKDQMADX-QRQIAZFYSA-N 495.417 5.682 50 40 JKGB N#C/C(=C\Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 2318751 WEHOWLDCHMFMQY-JLHYYAGUSA-N 484.415 5.820 50 40 JKGB Cc1cc(Cl)ccc1OCc1cc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)sc1C 2735826 AJYUHSCOHJVWCX-RDPSFJRHSA-N 475.017 6.191 50 40 JKGB COc1ccc2nc(NP(=O)(c3cccc4ccccc34)c3cccc4ccccc34)sc2c1 3195064 DGOSKQZFRHPKTN-UHFFFAOYSA-N 480.529 6.952 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 9203536 BJTVZLIQKDHGKE-BRJLIKDPSA-N 479.205 5.856 50 40 JKGB CCOC(=O)/C(C#N)=C/c1cc(Br)ccc1OCCOc1ccc([C@H](C)CC)cc1 9299723 UGRGUZMJRYUGJK-HDAKKWKLSA-N 472.379 5.890 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)NCc1ccco1 9762268 MYZHQXYLESLOCQ-LZYBPNLTSA-N 461.732 6.042 50 40 JKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)cc1 10059248 KCTKLDNNJRHHSQ-FTQFDPMJSA-N 479.791 6.949 50 40 JKGB N#C/C(=C/Nc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2cccc(Br)c2)cs1 11853128 TVLLADWXGMVKHU-XFXZXTDPSA-N 484.728 7.221 50 40 JKGB COc1cccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c1 14134353 ANJKTTWXGQDDNC-CCVNUDIWSA-N 466.368 6.077 50 40 JKGB O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCCCCCC1 16479552 LVIBNUJHPQDVRZ-UHFFFAOYSA-N 483.678 5.654 50 40 JKGB N#C/C(=C\c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1 16735516 DWZHGFRKHPHYCG-NTCAYCPXSA-N 477.307 5.339 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(I)cc1)c1cccc([N+](=O)[O-])c1 33717731 KELGQEKYOYBPJU-UNOMPAQXSA-N 482.277 5.843 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 59334312 CHNWHMPDZNFIHL-NSIKDUERSA-N 484.177 5.339 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)cc1 137021755 DJRZYPWMRJLXGN-LDADJPATSA-N 497.776 6.236 50 40 JKGB CCN1c2cc(C)c(/C=N\NC(=O)COc3cccc(Br)c3)cc2C(C)=CC1(C)C 208524471 FQTOBCYPIMTUEA-WGARJPEWSA-N 470.411 5.308 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1cccc([N+](=O)[O-])c1 408542285 IECKYUYVRBEGMO-CIAFOILYSA-N 468.513 6.130 50 40 JKGB CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 408711616 BOSSGTUHEIRVQW-YUMHPJSZSA-N 452.938 5.019 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1cccc2ccccc12 408723582 XDMLIIIHGQZKLH-ZCTHSVRISA-N 460.533 6.345 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)OC)c(Cl)c3)c2C)c1 408745139 KCPQAPDVYMMLRF-UNOMPAQXSA-N 477.948 5.479 50 40 JKGB N#C/C(=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1 408753533 ANAJIEAHYHXRAV-QNGOZBTKSA-N 488.952 5.807 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc4ccccc4c3)cc2)cc1 408759680 JMVJRCAPNQGTMR-XQNSMLJCSA-N 468.534 5.462 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1cccc(Cl)c1 408762014 JHWLYZYKEFMANY-RPPGKUMJSA-N 476.747 5.428 50 40 JKGB N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc2ccccc2c1 408765568 YRZAIGVRXJKHAG-RCCKNPSSSA-N 499.504 5.061 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408792821 CKCGKNPMAZUJPS-RGVLZGJSSA-N 491.931 6.080 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c1C 408795134 LFITVIQCDQBWED-VXLYETTFSA-N 469.343 6.874 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1 408801215 SJGRNKWRSBPWQO-FYJGNVAPSA-N 490.943 5.650 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1ccc2c(c1)OCO2 408809408 HMMGXQRNMVSWDH-RGVLZGJSSA-N 490.943 5.901 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(C)c(C)c2)cc1 408813267 MSNLRUYMDFHRCT-HZHRSRAPSA-N 456.542 5.835 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 408814625 GCKHUNWKKXKKEK-STZFKDTASA-N 487.487 5.596 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(Cl)cc1 408882183 QGDHTXHXHMIFBZ-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC 408892710 COXBOAKXGVSQIV-NTUHNPAUSA-N 492.713 5.130 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OC)c1OCc1ccccc1 409067745 RAVXEWLOXYHOMR-LFVJCYFKSA-N 482.536 5.335 50 40 JKGB N#C/C(=C\c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccccc1 409089180 HSQVMTXIKFJOMW-RIYZIHGNSA-N 499.266 6.148 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3c(C)n(Cc4ccccc4)c4ccccc34)cc2c1 409187557 RVRCGYITEXRUQO-RHANQZHGSA-N 451.526 5.907 50 40 JKGB CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)o1 409189337 JLPDZGXZOJEUJQ-RVDMUPIBSA-N 469.324 6.364 50 40 JKGB C=CCOc1c(Br)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OCC 409211382 LQVBDUWJNWEWPS-FSJBWODESA-N 483.815 5.308 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2)c1 409258437 UZHWZWYHHNWMRD-ZMFRSBBQSA-N 456.329 5.083 50 40 JKGB O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1ccco1 409397876 OYTKGWDXCPYITM-UHFFFAOYSA-N 483.911 6.064 50 40 JKGB Cc1cccc(/C=N/NC(=O)c2csc(-n3nc(C(F)(F)F)cc3-c3cccs3)n2)c1 1020600 XKHWJMUIPJPYTK-YSURURNPSA-N 461.494 5.148 50 40 JKGB CC(C)c1ccc(C(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)c(C(C)C)c1 1671996 SZMRSEVTGQLZEF-PMACEKPBSA-N 452.230 7.016 50 40 JKGB O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 3092517 AZDWIOALXZNKKY-OGLMXYFKSA-N 487.353 5.514 50 40 JKGB CN(NC(=O)NC(=O)c1c(Cl)cccc1Cl)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 4276748 BBFKWFSMHVQORJ-UHFFFAOYSA-N 485.633 5.065 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 8438237 QPUYVSXRGSVWLG-NRFANRHFSA-N 487.358 6.162 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 12273773 UCJSQLXOICPSGB-VJJQQEAFSA-N 467.594 5.677 50 40 JKGB CC(=O)Nc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1 13117014 XLSYRSDTJIYXFQ-WOJGMQOQSA-N 467.356 5.905 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c(C)n1-c1cccc(C(F)(F)F)c1 15018742 LTAWJWKSHNVNOO-IBBHUPRXSA-N 475.470 6.776 50 40 JKGB CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C(C)=O)=C(C)N1 20347627 JQAHHZSFXOVNFX-XMMPIXPASA-N 482.005 5.396 50 40 JKGB CCn1c(SCC(=O)N/N=C\c2cccc(Oc3ccccc3)c2)nnc1-c1ccc(C)cc1 30735246 WIHAFYASLSNVFP-PKAZHMFMSA-N 471.586 5.308 50 40 JKGB Cc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)c(C)n1-c1ccc(Br)cc1 33612266 OFTIQMNVZAWWJT-XDHOZWIPSA-N 466.429 7.123 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(F)cc1 33663643 MKYMYLFLZYAORV-SFQUDFHCSA-N 479.895 5.051 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)cc1 33676204 MRQHPGLMBXOLMY-PDGQHHTCSA-N 463.896 5.351 50 40 JKGB O=C(CBr)CCn1c2ccc(Br)cc2c2cc(Br)ccc21 40227623 CKDRNYUAPPCTBI-UHFFFAOYSA-N 473.990 5.674 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccc(OC)cc1 59297144 ZIXYFOBVCYICLL-HAVVHWLPSA-N 492.531 6.012 50 40 JKGB COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 59336309 UQBNZFPOTMLQTL-ATVHPVEESA-N 468.340 5.733 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1C#N 59336482 GZZUFGUWABXRJW-HMAPJEAMSA-N 488.374 6.718 50 40 JKGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3Cl)c2C)c1 59427041 WYCPMZMTVSZBCT-OKCVXOCRSA-N 473.020 6.536 50 40 JKGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl 107831582 NSDZIHZRKHMUCO-ATVHPVEESA-N 496.350 5.565 50 40 JKGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)c1 108285983 MFKBFMIIGAGOBA-KKMKTNMSSA-N 490.774 5.948 50 40 JKGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)c1 408608533 HNNOFFUAEMPNMV-KKMKTNMSSA-N 474.319 5.109 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccccc4Cl)c(Cl)c3)CC2=O)cc1 408611361 VZLPYFRVUQHVFP-GOSISDBHSA-N 484.383 5.377 50 40 JKGB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@@H]4Br)cc2)c1 408678140 BIMLEJZZEOIKPZ-ZOGCLFRTSA-N 484.390 5.420 50 40 JKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)c1 408788362 JRFAKKROEVOZMA-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1ccc(O)cc1 408799196 YJGVUQORZALXFP-CXUHLZMHSA-N 484.295 5.732 50 40 JKGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1Cl 408836079 ZBCFCVOVAFCIKD-PXLXIMEGSA-N 456.929 5.785 50 40 JKGB CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 408847262 UOHAUQHNUHTMLE-IPPBACCNSA-N 498.530 6.150 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(OCC)c2)cc1 408875404 IGNJWADYQHOJDB-HZHRSRAPSA-N 472.516 5.538 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1Cc1cc(C)cc(C)c1 408879295 CXCBRPGIAYIZNC-RGVLZGJSSA-N 493.376 6.350 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)c(Cl)c1 408890594 WDWWHXGNKKXBMJ-LGJNPRDNSA-N 488.327 5.643 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1Cl 408890602 WIFYWVSLKUYONB-LGJNPRDNSA-N 488.327 5.643 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 408893193 CYTGENNJXSPNMW-CJLVFECKSA-N 496.950 6.404 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1OCc1ccc(Cl)cc1 408897240 RAFZKDBHNFBVHX-DHRITJCHSA-N 473.754 5.454 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)c(C)n1-c1ccccc1 408922674 FYKZFIDOLCPQLU-LDADJPATSA-N 467.310 5.244 50 40 JKGB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1 409002271 MVUOHVCHNQBKDP-LJAQVGFWSA-N 477.608 5.829 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Cl 409037465 CPIKMKOROAHFPE-VULFUBBASA-N 462.962 5.980 50 40 JKGB CC(C)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Br 409041923 KZSCQRPVQKJJLP-OVCLIPMQSA-N 478.184 5.792 50 40 JKGB CN1C(N)=C(C#N)[C@H](c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C2=C1CCCC2=O 409133522 MUCBJXKSUQVPBD-NRFANRHFSA-N 488.802 5.956 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 409183889 UQLQIULWSNMZHA-BIZUNTBRSA-N 478.979 6.918 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1C 409257183 ROKGOUFDEOUWGG-XDHOZWIPSA-N 477.923 5.659 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409270864 RQLJFWJWUCMYDQ-MBTHVWNTSA-N 479.964 5.137 50 40 JKGB O=C(CNc1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 409356372 MZPYLSVXQQKZAZ-LGJNPRDNSA-N 472.770 5.244 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)N(C)C)cc(OCC)c1OCc1ccc(Cl)cc1Cl 1106478 XZXQQBHBTSDGPC-YBFXNURJSA-N 459.373 5.695 50 40 JKGB COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1 3278873 OUMIBCYQABYDGP-VVEOGCPPSA-N 491.897 5.509 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccc([C@H](C)CC)cc2)ccc1OC(=O)c1ccccc1 10059545 KUROFMIOJAOOTP-CJHIPLPSSA-N 474.557 5.347 50 40 JKGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(O)(c1ccccc1)c1ccccc1 12375990 KEAYQHIVQMWRLW-LQKURTRISA-N 465.336 5.640 50 40 JKGB CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1 15980545 INTAMBBWVKNYTJ-QZMYASAMSA-N 480.637 6.200 50 40 JKGB C/C(=N\NC(=O)COc1ccc2ccccc2c1Br)c1ccc(Cl)c(Cl)c1 16136930 NTSAQWLRXNEZBB-WYMPLXKRSA-N 466.162 5.828 50 40 JKGB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cccc(Cl)c1Cl 18194290 NPXJDTKKPHTPDO-KSWAXPHNSA-N 482.411 5.416 50 40 JKGB CCOC(=O)C1=C(C)NC(SCC(=O)C23CC4CC(CC(C4)C2)C3)=C(C#N)[C@@H]1c1cccs1 19597231 NBOCOJRYFQUFAW-FSGTUPQPSA-N 482.671 5.526 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CCSc3ccccc3)c2C)c(C)c1 20243903 YEOXAAHFIJVREY-CVKSISIWSA-N 484.463 6.106 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 34889599 YQAWRACGKZUISD-GZTJUZNOSA-N 479.895 5.051 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 58916904 RRBKLRMALWEINU-BRJLIKDPSA-N 490.854 5.894 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1 59145783 OFVVKJWILHIDOC-VXLYETTFSA-N 471.771 6.449 50 40 JKGB O=c1c(-c2ccccc2)cc2cc(CBr)c(CBr)cc2cc1-c1ccccc1 68603962 KAKNFPBHAHXDFY-UHFFFAOYSA-N 494.226 7.324 50 40 JKGB Cc1c(/C=N\NC(=O)c2cccc(I)c2)c2ccccc2n1Cc1ccccc1 71335846 YWFZWUDTYXKYFX-YSMPRRRNSA-N 493.348 5.367 50 40 JKGB CCSc1c([P+](c2ccccc2)(c2ccccc2)c2ccccc2)nc(-c2ccccc2)n1CC 95704767 PGHWFSFFIHGFNF-UHFFFAOYSA-N 493.636 6.301 50 40 JKGB Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)NC3=C2C(=O)CCC3)o1 96129992 RVTHBBFHTPFEDC-NRFANRHFSA-N 453.951 5.042 50 40 JKGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(O)CC(C)(C)CC2=N1 102575655 JKDKZQQRFMMSKP-DEOSSOPVSA-N 492.044 6.926 50 40 JKGB Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(O)CC(C)(C)CC3=N2)c1 104079009 KWANTAJBSBCJGZ-QHCPKHFHSA-N 477.655 6.642 50 40 JKGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc21 208469692 GQKNWOYRFNVQMX-ZRGSRPPYSA-N 486.797 6.244 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1O[C@@H](C)CC 408551288 MVCYEDYIXHWGBH-SLCIXIPPSA-N 450.376 7.242 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408587134 QVCSNMMHMWJCRC-ODLFYWEKSA-N 469.324 6.943 50 40 JKGB O=C(NNc1ccccc1OCc1ccccc1Cl)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408609421 RGZDLFBMGPPTEZ-KRWDZBQOSA-N 470.356 5.069 50 40 JKGB O=C(NNc1ccccc1OCc1ccccc1Cl)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408609424 RGZDLFBMGPPTEZ-QGZVFWFLSA-N 470.356 5.069 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2I)o1 408758552 MJKOIPONPNPDSU-KAMYIIQDSA-N 499.264 5.314 50 40 JKGB COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 408795559 MQPDUOCJVAQNIJ-NTUHNPAUSA-N 450.130 5.074 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1 408806855 BKJDOHISKVYGSU-GIJQJNRQSA-N 456.329 5.642 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1ccc(Br)cc1 408819540 XPPDGKVMINFXDJ-NGNZWAJUSA-N 483.406 5.639 50 40 JKGB O=C(N/N=C\c1ccc(Cl)cc1)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2 408822053 DFNWXDLJVNQKKQ-ROTLSHHCSA-N 454.755 5.387 50 40 JKGB O=C(NNC(=O)c1ccco1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 408840369 BASNGJNMNAZFBV-UHFFFAOYSA-N 474.325 5.128 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(C3CCCCC3)c2C)cc1 408850995 TZWTWNDRWUQBOG-QXPFVDMISA-N 478.640 7.140 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1Cc1ccccc1Br 408866137 FVRPQOOZJURSCU-WOJGMQOQSA-N 481.777 6.248 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1OCc1cc(C)cc(C)c1 408882205 QKTRCIOLCKXGTH-PCLIKHOPSA-N 454.570 6.389 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Br)cc1)C(=O)Nc1cccc(Cl)c1 408887165 ONWFRIYIJLJUDQ-LDADJPATSA-N 467.750 6.227 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C 408933312 AMZZYVITFRJICU-LSCVHKIXSA-N 469.932 5.454 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1 408947578 CNKGBHUUNYKZCX-ITYLOYPMSA-N 485.587 6.474 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1cccc2ccccc12 409053779 PKSCKANCXVOAOR-MUFRIFMGSA-N 458.945 6.153 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1OCc1ccc(C)cc1 409065342 KQVMFZJQDVVWNQ-KOEQRZSOSA-N 482.580 6.256 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1OCc1ccc(C)cc1 409075320 QTMVYBJOIRIPPR-WPWMEQJKSA-N 480.608 6.864 50 40 JKGB Cc1[nH]nc2c1[C@@H](c1ccc(OCc3ccc4ccccc4c3)c(Br)c1)C(C#N)=C(N)O2 409124941 CKLBEKNZXUBYNZ-QHCPKHFHSA-N 487.357 5.431 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc2ccccc2c1 409131996 KIICRYXACWLNOR-NDEPHWFRSA-N 464.521 5.741 50 40 JKGB Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c(C)c1 409271579 VEQWIUQMHPYWIW-HAHDFKILSA-N 453.542 5.483 50 40 JKGB CCc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 409361259 BUKRRXLZABXVJK-WKULSOCRSA-N 464.396 6.252 50 40 JKGB COc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3cccc(Cl)c3)N(c3ccccc3)C2=O)cc1 2332734 ZHWAUOKBOOEUSE-YMGIJWJESA-N 489.984 5.414 50 40 JKGB CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccc(Br)cc1 2729738 XYWAUDPVIYTMDO-VQXFCIMOSA-N 490.195 5.673 50 40 JKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cc(I)ccc1Cl 3068730 CGFQSENOYLAKOY-DHRITJCHSA-N 484.724 6.015 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)c1OC 3281488 PFTOVGRTFZKBRR-NDZAJKAJSA-N 466.537 5.714 50 40 JKGB N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 8798578 KTLGVDOVRJBEPI-FYAMCCBRSA-N 488.012 5.125 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc(O)cc1 8837745 FKBDOUBLLMVAAY-IWIPYMOSSA-N 480.640 5.322 50 40 JKGB COc1cccc(OCCOc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2)c1 8916178 BUACKSKFHZOIGY-LDADJPATSA-N 483.351 6.005 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1ccc(Br)s1 9086861 SYEFNXPAAPWMQP-GXDHUFHOSA-N 480.343 5.679 50 40 JKGB COc1ccccc1NC(=O)C1=C(C)NC(SCc2ccccc2)=C(C#N)[C@H]1c1ccccc1 12250633 XNEDSAZXQITZLS-AREMUKBSSA-N 467.594 5.963 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccncc1 12463450 KHVUIRYXQIXRHA-BUVRLJJBSA-N 465.629 5.011 50 40 JKGB CCOC(=O)Cn1c(C)c(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc21 16682908 LRJLDVJFMBTCOG-MBTHVWNTSA-N 453.498 5.176 50 40 JKGB C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Cl)cc12)c1ccc(C(C)(C)C)cc1 20158743 ALCJFQYBRBJQAS-VTNSRFBWSA-N 490.434 7.660 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1 27017166 BMYLDEGQTIAJBB-FXBPSFAMSA-N 462.578 7.002 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1F 33397872 OVBFTURKABWIOH-SXGWCWSVSA-N 477.160 7.538 50 40 JKGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 33708290 ACJISMMSHYMQOJ-NTFVMDSBSA-N 473.916 5.673 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 35242598 SFHRQFUKILYAIK-IWIPYMOSSA-N 493.563 6.340 50 40 JKGB C[C@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc21 208220650 MIQRYHIRPVGYQB-IDFPFIHXSA-N 454.368 5.681 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccccc1OCc1ccccc1Cl 408567920 GWHUHTVREBVXIW-JFLMPSFJSA-N 499.057 5.927 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OCC 408580627 QBYJEEXBJCIUHE-RIYZIHGNSA-N 453.163 6.784 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1ccc(N2CCCC2)cc1 408677930 WBWOJJZGKGXQJM-UZWMFBFFSA-N 472.592 6.207 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccccc2F)cc1-c1ccc(-c2ccccc2)cc1 408725349 OCCFSEIRAVFCOI-UZWMFBFFSA-N 474.539 6.418 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(Br)cc1 408740858 NFBOLGLJKJLDFY-WQRHYEAKSA-N 487.166 6.994 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)c3cccc(Cl)c3)c2C)sc2c1CCCC2 408779920 NPCNNKVYTBGTCU-UNOMPAQXSA-N 450.991 6.539 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1cccc(C)c1 408788465 KFOIFNOHNNDNAZ-YBFXNURJSA-N 493.357 5.596 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 408791633 ZYPDYQFMXCMKAJ-GIJQJNRQSA-N 455.316 6.566 50 40 JKGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 408841362 GLRAAKAQSSHTGZ-DHRITJCHSA-N 477.933 5.879 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408851104 IHKFWJNCERRIOI-YBFXNURJSA-N 469.343 6.874 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)cc2)cc1 408884662 XZTZIOGHDNRQHD-GHRIWEEISA-N 487.364 5.615 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1cc(C)cc(C)c1 408900873 YJFGBZWYTQUZFB-FSJBWODESA-N 474.988 6.707 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1Cl 408984390 QJKHBKRGXSPLFW-MFOYZWKCSA-N 468.340 5.953 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409078738 JKXWCEAGQCMVCW-WOJGMQOQSA-N 488.456 5.466 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1OCC 409316986 NYCOZQUSFUJJFJ-RHANQZHGSA-N 496.991 5.879 50 40 JKGB O=C(Oc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1)c1ccccc1 1956717 JSUGQLUZVNFZNV-AJBULDERSA-N 471.516 5.885 50 40 JKGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)NC2=C1C(=O)CCC2 2309936 MJQWVNXPDSQUQP-SANMLTNESA-N 487.625 5.503 50 40 JKGB N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl 4292585 LTFKSWDJGVVOSJ-OAHLLOKOSA-N 451.235 5.416 50 40 JKGB biogenic COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)ccc1OCc1ccccc1 9404889 QZSQFCKSDBPQAZ-RGVLZGJSSA-N 493.415 7.769 50 40 JKGB O=C(COc1ccc(OCc2ccccc2)cc1)NN=C(Cc1ccccc1)Cc1ccccc1 12651515 LFWDDSASQYJFKQ-UHFFFAOYSA-N 464.565 5.602 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 13174408 WIGUHKJZBJRKFH-QHCPKHFHSA-N 498.435 6.103 50 40 JKGB CCc1ccc(-c2n[nH]cc2[C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccco2)nn3-c2ccccc2)cc1 13959798 TXMIOGPTFUFWBJ-QHCPKHFHSA-N 474.524 5.303 50 40 JKGB N#Cc1ccccc1COc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Cl 30809138 UWWBBWPVTJMJGC-QDTIIGTASA-N 464.308 5.954 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccccc1 33540319 UQVHKOPYZAZBLG-UNOMPAQXSA-N 499.323 6.472 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc(C)cc1 59335707 BYYWRRHDJZMYKW-XYGWBWBKSA-N 452.554 6.165 50 40 JKGB CC1(C)[C@]2(C(=O)Nc3ccccc3F)CC[C@]1(C(Br)Br)[C@H]2Br 100868656 FDSGYGIVCKMGRA-HFBAOOFYSA-N 498.028 5.450 50 40 JKGB C[C@@H](CCCI)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118925981 HBAQUSMBLAIDOW-AFGCANKYSA-N 456.496 7.887 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408544317 VJWCFVBGWZCMPF-WOJGMQOQSA-N 499.483 6.251 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(F)cc1 408549247 RJIFMVWFPGMQQO-CFRMEGHHSA-N 457.932 7.674 50 40 JKGB N#C/C(=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12)c1nc2ccc(F)cc2[nH]1 408569485 OFSVGEJJTHENRP-WJDWOHSUSA-N 469.907 6.013 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N(CC)c1ccccc1 408603993 HZHYAQQAIKMTOH-LTGZKZEYSA-N 466.541 5.458 50 40 JKGB O=C(NNc1ccc(OCc2ccc(Cl)cc2Cl)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408611780 WLJFCKNGTCGPTO-MRXNPFEDSA-N 488.346 5.208 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)ccc1OCc1ccc(Cl)cc1 408720144 UDQYJBAXFRXPTE-AXNZHVIBSA-N 469.006 5.949 50 40 JKGB Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Br)cc3)nn2-c2ccccc2)cc1 408724237 ISOCNSVLHTYLAE-WGOQTCKBSA-N 459.347 5.374 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2cccs2)cc1-c1ccc(-c2ccccc2)cc1 408725410 OPZIFTFSEDATME-VUTHCHCSSA-N 462.578 6.340 50 40 JKGB COc1cccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 408739962 HAIQKUBSFOKLLJ-WEMUVCOSSA-N 471.560 6.584 50 40 JKGB Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)ccc1I 408740465 KXASKBZWMMSKLU-BKUYFWCQSA-N 495.364 5.231 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(I)cc1 408781370 BVXDPWYXENFPDR-PDGQHHTCSA-N 492.282 6.782 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OCc1ccc2c(c1)OCO2 408816703 MCLHWAGTRREBIB-MTJSOVHGSA-N 486.499 5.416 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3cc(C)cc(C)c3)c(OC)c2)cc1 408864882 AVHREGQTOCGQDZ-YDZHTSKRSA-N 458.989 6.664 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1cc(Cl)ccc1Cl 408895097 LYRPYWHBQZNMFU-LICLKQGHSA-N 457.744 6.771 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccc1 408927566 QIEZBZBRJWMFAJ-YBFXNURJSA-N 471.771 6.449 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc2ccccc2c1 408962327 HKPJCSLCNUMWOP-WCMJOSRZSA-N 478.470 6.210 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2Cl)c1 408981625 CBZQHGLRSCMQTQ-OCKHKDLRSA-N 485.798 7.388 50 40 JKGB CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OCC 409030276 CSTLIJQIWVVXAI-YKQZZPSBSA-N 497.551 5.006 50 40 JKGB CC[C@H](C)Oc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC 409035264 PGYLSGKMJHDNRK-KNTMNKSTSA-N 453.542 5.852 50 40 JKGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 409112608 FEKQBMJALXDTPN-FCLYZYNOSA-N 460.430 6.340 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1O[C@@H](C)CC 409207915 CNHLSFZCYGZNCB-HZZGJGATSA-N 455.407 5.812 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409213604 VDBCYDQIDGHMLK-ODLFYWEKSA-N 477.904 5.647 50 40 JKGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccccc2Cl)cc1 409226054 ROLSEMICUVOFSZ-VYYCAZPPSA-N 484.339 5.325 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccccc4C#N)c(Br)c3)[nH]c2c1 409391623 KGEBFHFDTQHYDU-GRSHGNNSSA-N 485.341 5.849 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 935073 HNVTZMXHPJUIBI-YMGIJWJESA-N 457.530 5.199 50 40 JKGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1 3083565 HFJDVBKWJHVTQD-VGSHQSRASA-N 474.564 5.919 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Br)c3)CC(=O)N2)cc1Cl 9014836 GLXSOSQFMGMGBK-INIZCTEOSA-N 490.810 5.122 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Cl)c3Cl)C3=C(CCCC3=O)N2)c1 13174838 FXWMPFYHBBPIPA-JOCHJYFZSA-N 498.435 6.103 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc(Br)c1OCC 13387993 AUIMWOFAERXIJI-NTUHNPAUSA-N 494.729 5.354 50 40 JKGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\c2ccc(-c3cccc(Br)c3)o2)cc1 15938537 YXCXWNFOMCGJQR-PLDVNJCFSA-N 465.391 6.260 50 40 JKGB N#C/C(=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1cccc(Cl)c1 19891217 LLXRUHXDTNFNEW-BSYVCWPDSA-N 456.977 5.093 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1cccc2ccccc12 59224556 CELXZLOGHAIWMR-PXLXIMEGSA-N 483.365 6.727 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccccc1F 95100365 NBQDMDLHPQVXMR-LDADJPATSA-N 459.502 5.569 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1P(=O)(c1ccccc1)c1ccccc1 97950123 FXCYJNJQLLGGGH-UIFXRJKDSA-N 494.511 5.958 50 40 JKGB CCCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Cc1sc(C(=O)OCC)c(C)c1C#N 408546847 OLXRTIUYGZMIQY-XSFVSMFZSA-N 486.593 6.156 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(OCC)c1OCc1ccccc1Cl 408570209 SRZUYJVWJKDDEH-BKUYFWCQSA-N 487.962 7.126 50 40 JKGB CCOc1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2cccc(C(F)(F)F)c2)C3)cc1 408728522 OAUNWLJCQDFEEW-NUJZUDFISA-N 453.464 5.388 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)sc2c1CCCC2 408777952 MZQGNYFBTKBLMJ-ZHZULCJRSA-N 473.598 5.675 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2Cl)cc1C 408808021 MDKKCXNDJFUHFY-VXLYETTFSA-N 485.798 7.388 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OC 408835416 XJMQHEQGPVNWBN-XDHOZWIPSA-N 497.378 6.525 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 408858116 JSWNJXFYKZVESH-WGPBWIAQSA-N 482.672 5.478 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3ccccc3F)c(OC)c2)cc1 408873365 PVUNNLBOHXLGKX-YBFXNURJSA-N 478.907 5.411 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccccc1C 408880969 JQFDJAKMEUIQEV-UDWIEESQSA-N 477.358 5.891 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1cccc2ccccc12 408895069 LTSNNAQCOSMDIA-WKULSOCRSA-N 493.346 6.138 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1cccc(F)c1 408947329 CAAOCWBSUWSJDD-XKZIYDEJSA-N 469.516 5.160 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c2C)c1 408964276 QIVCNAQZCIJCJD-CCVNUDIWSA-N 457.452 5.054 50 40 JKGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC 408982635 IQDCWUVRIFATHN-MHWRWJLKSA-N 475.770 5.920 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1cccc2ccccc12 409030542 GEFWEUQDPPWWLY-ZXSNDDASSA-N 494.598 7.226 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)c(Cl)c1 409050927 DNEDSDAWXSLPQA-RPPGKUMJSA-N 457.313 5.343 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OCc1ccc(F)cc1 409075758 XRMOSYVOAUJRHB-KGENOOAVSA-N 476.935 6.341 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1 409214157 WQJHTBOCZGPRDX-NDENLUEZSA-N 479.330 6.399 50 40 JKGB O=C(NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccco2)c1 409223116 GXRUCIGZVJOIKG-UHFFFAOYSA-N 487.899 5.168 50 40 JKGB Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl 409270453 PSEMUJQJQFVUPD-LICLKQGHSA-N 496.350 5.571 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1cccc2ccccc12 409315903 WLNOACGQITZOMS-STZFKDTASA-N 474.785 7.899 50 40 JKGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OCc1c(F)cccc1Cl 948082 GPEOQGQHYBSJSK-LDADJPATSA-N 457.910 5.405 50 40 JKGB Cc1ccc(NC(=O)NN(C(=O)Nc2ccc(C)cc2)c2nc(-c3ccc(C)cc3)cs2)cc1 1415242 DWUDCBCTVBPVKR-UHFFFAOYSA-N 471.586 6.511 50 40 JKGB O=C(c1ccccc1[N+](=O)[O-])[C@@H](Br)[C@@H](Br)c1ccc(Cl)c(Cl)c1 1745345 WRNZXLQWFIZGCV-KBPBESRZSA-N 481.955 5.984 50 40 JKGB O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21)[C@H]1CC1(c1ccccc1)c1ccccc1 1798640 NZPZGRQDDUCLCR-NUPFJJLISA-N 485.587 5.102 50 40 JKGB CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)c(C(=O)OCC)c1C 2246112 WJKCYSRXOCWHLQ-VBKFSLOCSA-N 497.598 5.519 50 40 JKGB Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1Cl 2401124 FOVZFOXWIKYLPF-LTGZKZEYSA-N 498.970 5.023 50 40 JKGB CCCCC(=O)NN(Cn1c(=S)sc2ccccc21)Cn1c(=S)sc2ccccc21 5392828 XNFYZSZRJWNLQR-UHFFFAOYSA-N 474.702 6.317 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cc(Br)c1OC(C)C 8721946 UERVBLWSCKDEKC-SXGWCWSVSA-N 459.340 5.189 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)CC(=O)N2)cc1 8970308 YIZUXGKXEGHUQU-XMMPIXPASA-N 483.593 5.285 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1 13297953 PZZBEQWVRVQUHF-XMMPIXPASA-N 492.044 6.086 50 40 JKGB CCCCc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NCc3ccccc3)N(c3ccccc3)C2=O)cc1 13660155 FEQOLZOWRZRLTK-DGHLUIFDSA-N 495.648 5.772 50 40 JKGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1Cn1nc(C)cc1C 20352996 SJHCHGRIRKEPIM-WQRHYEAKSA-N 454.452 5.121 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1cccc2ccccc12 33688836 DMXPFDVHRSQHKG-PKAZHMFMSA-N 490.559 7.518 50 40 JKGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)c1ccccc1Cl 34779864 ULOXDOBTIIHYRQ-RWPZCVJISA-N 468.900 5.063 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 34839861 NHSZSURMMUFTFL-WKULSOCRSA-N 479.363 6.498 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c(Cl)c3)[nH]c2c1 34846887 IOAKHTBCNKERGF-MFOYZWKCSA-N 468.771 7.475 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)NC1CCCCC1 58825970 JRZXLTWLCNENSU-AQTBWJFISA-N 452.385 6.352 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(CSCc4ccccc4)cc3)o2)cc1 58916026 RYSALHAVNFUDGL-UXHLAJHPSA-N 498.604 6.321 50 40 JKGB O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 59247726 DBFVIDDFZCNKBO-LSHDLFTRSA-N 470.175 6.264 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)N1CCN(c2ccccc2)CC1 59332859 GZVWSXGDMGORSU-JWGURIENSA-N 492.406 5.828 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)c1OCc1ccc(Cl)cc1Cl 59435266 RMRBEOLKMMMEAI-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB Cc1cc2c(cc1/C=N\NC(=O)c1cc3cc(Br)ccc3o1)[C@@H](C)CC(C)(C)N2C(C)C 223611995 SMWYZWDNXJCCLN-QWKVUHSCSA-N 496.449 6.768 50 40 JKGB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(C)C)cc3)o2)c1 252488901 JBJWMDSPLUHIRA-KGENOOAVSA-N 472.497 5.189 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 408548973 OLSPPMQINXGBTR-CEUNXORHSA-N 472.563 8.030 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1OCC 408568565 VELGBBCGDQWBRV-MFKUBSTISA-N 461.400 5.237 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 408726149 QGUANWHBOINTRW-STZFKDTASA-N 457.486 5.290 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(Cl)c1OCc1ccc(Cl)cc1 408808933 FYHOIJUIJNITSN-NJANSZDQSA-N 473.400 6.183 50 40 JKGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408827107 FYFKAUNAWWTVPB-JFLMPSFJSA-N 469.522 5.808 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 408879587 GYZZMTDIJVBIFB-FOWTUZBSSA-N 473.337 5.307 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1C 408888612 XVZUMRMLXYMLEY-LGJNPRDNSA-N 487.781 5.762 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408892671 BQPWQMWLNSRQLU-KPKJPENVSA-N 462.676 6.361 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1cccc2ccccc12 408899833 RACFWOSDXLIMAM-LFVJCYFKSA-N 496.994 7.325 50 40 JKGB N#C/C(=C/c1cccn1-c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Br)cc1 408931812 QOTYNRNETFBKBA-KAMYIIQDSA-N 460.253 5.804 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C\c2c(C)n(Cc3ccc(Cl)cc3)c3c(C)cccc23)n1 409046993 STNIUEXDGWWELP-QDTIIGTASA-N 492.048 5.609 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C\c2c(C)n(Cc3ccccc3Cl)c3c(C)cccc23)n1 409048506 XBRAWNPVQWFDTP-QDTIIGTASA-N 492.048 5.609 50 40 JKGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 409116597 MKDMPPLSMBLBQZ-KKMKTNMSSA-N 493.843 6.609 50 40 JKGB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@@H]3C[C@@H](Cl)[C@@]2(Cl)C1 627260067 JFNJWGVLTHTDCN-ZSQCDUCPSA-N 499.607 8.618 50 40 JKGB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@]12C 888090840 XDHSPKUJYNEBHS-JSQTVSJISA-N 481.471 5.308 50 40 JKGB COc1cc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1COc1ccc(F)cc1 648517 FUFJFXLZSLXBAA-WIOPSUGQSA-N 454.505 5.007 50 40 JKGB Cc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)s1 1761131 AHWBPLVWHKHHPC-UFWORHAWSA-N 455.055 5.096 50 40 JKGB CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1 2360458 PYZASTCRWCPDDQ-KNTRCKAVSA-N 466.603 5.918 50 40 JKGB CCC(C)(C)c1ccc(OCCCC(=O)N/N=C2/C(=O)Nc3ccccc32)c(C(C)(C)CC)c1 6172628 YZXHCFFGHIIBLE-UHFFFAOYSA-N 463.622 5.693 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc(I)cc1 10118482 FZILWJZYJKHBQP-AFUMVMLFSA-N 479.321 5.058 50 40 JKGB O=C(N/N=C\c1c(OCc2cnc(Cl)s2)ccc2ccccc12)c1ccc(C(F)(F)F)cc1 12961305 FHIXDNZKJYBIAL-ULPWCQAASA-N 489.906 6.311 50 40 JKGB O=C(CCCCC(=O)N/N=C/c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(Cl)c(Cl)c1 13983572 DSMQPIKPFWIMFC-KOZSXFMUSA-N 488.202 5.461 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)Sc1nc2ccccc2s1 33763869 IQEAFZPMQXUDEH-RCCKNPSSSA-N 485.033 8.339 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C\c1cccc(OCc2cccc3ccccc23)c1 35494422 NHXCIPCEKJYFDL-QRQIAZFYSA-N 473.370 5.874 50 40 JKGB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)[C@@H](Br)[C@]21C 36372112 KLRIHFBNZZHISJ-DQTWWGJKSA-N 483.487 5.699 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OCc1ccc(Cl)cc1 59117370 ZXSKVHPTXKFBBZ-LICLKQGHSA-N 487.770 6.780 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc4c(c3)OCO4)C3=C(O)CCCC3=N2)c(C)c1 102498804 MTAWMQABXYLSCO-RUZDIDTESA-N 487.581 5.673 50 40 JKGB COc1cc([C@@H]2[C@@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1ccccc1 102836049 OUUABTOZVPYXLW-ZQIDGUAPSA-N 492.623 6.140 50 40 JKGB COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)P2(=O)Nc2ccc(Cl)cc2)cc1 104385004 QTTOQOJERHIQML-UHFFFAOYSA-N 485.952 6.285 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cccn1-c1ccc(I)cc1 107779801 YHERZMWJOGNARN-MFKUBSTISA-N 495.320 5.008 50 40 JKGB CCO[Si](OCC)(OCC)[C@@H]1C[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 256109226 AMPGOMIFIUKMJG-GGZOMVNGSA-N 463.088 5.641 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408541095 DRYUCWOJLQJWHY-YVLHZVERSA-N 461.386 5.066 50 40 JKGB N#C/C(=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12)c1ccc2ccccc2c1 408551994 QSWJIKZOALNKLT-KQWNVCNZSA-N 461.952 7.151 50 40 JKGB O=C(c1ccc(Cl)cc1)[C@H](CCCl)OC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408640981 BWRFUUACGGVWNE-DYVFJYSZSA-N 489.182 5.423 50 40 JKGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc(C(C)(C)C)c1O 408760957 BJVXGLCOTGULSP-AJBULDERSA-N 472.629 6.862 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 408787566 BWJCXPVGGZGVDJ-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Br)c3)cc2)cc1 408795359 CBAWKTMQQPEKKY-CPNJWEJPSA-N 490.357 5.321 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408801527 UNUVGLJQEGYPSZ-LDADJPATSA-N 463.877 5.381 50 40 JKGB C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 408822464 CAZOFGMFEAFKLS-XSFVSMFZSA-N 479.363 6.683 50 40 JKGB Cc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(C)c1OCc1ccc(Br)cc1 408856801 LMYGJIUQPYFLEG-FYJGNVAPSA-N 452.779 7.363 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Cc3cccc(F)c3)ccc3ccccc23)cc1 408872453 DMZNLNTUMNADSE-HAVVHWLPSA-N 464.496 5.902 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OCc3ccccc3Cl)c2)cc1 408884696 YDOOFGNCSVWNCR-KGENOOAVSA-N 490.943 5.650 50 40 JKGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c(Br)c1 408893207 GCHPTBAGPAJPBD-MHWRWJLKSA-N 462.185 6.189 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1 408896154 PMGYBJSHTWUBQN-NTEUORMPSA-N 452.810 5.271 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(C)cc1 408897994 JQVJNEITFKLMNG-VULFUBBASA-N 481.346 5.058 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 408900541 VWOSZMVEGWUOSI-SFQUDFHCSA-N 487.364 5.615 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)cc1 408923859 KRVCLQFTMPTUQV-CPNJWEJPSA-N 481.777 6.536 50 40 JKGB C=CCOc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 409033748 LMYUOBAPHUBYDZ-LQKURTRISA-N 489.000 6.536 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1 409065447 LUIFQROPGIBCLE-PXLXIMEGSA-N 490.537 5.472 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409188438 HOEWVMPUFHMKLH-UVHMKAGCSA-N 486.355 5.092 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccc2ccccc2c1 661030 ABARFWWCWGXDPI-VWLOTQADSA-N 452.514 5.067 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc(Br)ccc1OCc1ccccc1F 669272 RQBHNHWQAJGCKX-QFIPXVFZSA-N 497.364 5.618 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)C3=C(CCCC3=O)N2)cc1C 2310635 SWNPXBZUMLZSSU-RUZDIDTESA-N 457.599 5.413 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Cl)c1OCc1ccccc1F 3628415 JKMTYLQJHFFYMM-XMMPIXPASA-N 494.906 5.404 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)ccc1OCc1ccccc1 8763843 FJWDFGZYTHCCDR-ZVHZXABRSA-N 495.604 6.176 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nn(-c2ccccc2)c(N)c1C#N 8989795 YLZBDSJAYAXGKC-XDHOZWIPSA-N 486.362 6.276 50 40 JKGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC 9322188 BMNJONKQCPYUDR-MHWRWJLKSA-N 473.754 5.367 50 40 JKGB CCCCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OC)c(OC)c4)CC(=O)N3C2)cc1 9693539 UNONEVFJERAQSQ-OAQYLSRUSA-N 463.603 5.266 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2c(OCc3cccc(C#N)c3)ccc3ccccc23)cc1 10476060 SVEUNZKKRUQBCM-ZCTHSVRISA-N 463.537 5.382 50 40 JKGB C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1 13152063 NRKRCKMXDFHFSZ-WPWMEQJKSA-N 451.979 5.366 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)OCC)c3)o2)cc1 20197445 PJONRUNMJCHQMR-CVKSISIWSA-N 454.910 5.329 50 40 JKGB Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@H](C)SCc3ccccc3)c2C)c1 20243842 MBEDAUURONMGQU-FOGHPNEFSA-N 484.463 5.937 50 40 JKGB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1 20347814 YUIWXWWAZXVQHA-SANMLTNESA-N 499.592 5.399 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3Br)o2)cc1Br 20760257 YHZNMLJQADCKTP-SSDVNMTOSA-N 462.141 5.544 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)c(C)n1-c1ccc(Br)cc1 28216441 QHIULYPCNVMVOD-PTZPRWATSA-N 456.409 5.488 50 40 JKGB Cc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 28217336 RANYOETZSAAKBO-ZMOGYAJESA-N 456.409 5.407 50 40 JKGB CC(C)c1ccc(C(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(CC(C)(C)CC3=O)N2)cc1 35193659 QQPQDGJPNMPJFZ-XMMPIXPASA-N 476.667 6.553 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1 58927539 HZQHVBCVOHBEFH-XHLNEMQHSA-N 495.620 5.189 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)c3ccccc32)c1 59201225 VHFHTLOKMVJCEK-QNGOZBTKSA-N 465.509 5.030 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 59245180 GJRBZBKIMHISRX-CPNJWEJPSA-N 467.352 6.517 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1CC=C 59336512 PITJCVIAAQMZTM-WJDWOHSUSA-N 492.200 6.595 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 59921479 DYGAPHBAJCTKBB-JFLMPSFJSA-N 457.357 5.664 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 108221097 QEAQTFZLTHYLMB-HNSNBQBZSA-N 483.571 6.769 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCc1cccc(F)c1 209484018 WCFLIBKFJCZGGR-KEBDBYFISA-N 499.323 6.391 50 40 JKGB COc1cc(/C=C/C(=O)Cl)cc(I)c1OCc1ccc(F)cc1Cl 226336810 WAKUPWNWTSJXHV-GORDUTHDSA-N 481.088 5.450 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccccc3)n2)c1 408727313 VSRWSKUFOOGLFB-NJZRLIGZSA-N 472.548 5.979 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)c1ccc(Br)cc1 408738498 ZXWCLVYORLUUQF-JAIQZWGSSA-N 494.186 6.726 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccccc1Br 408752441 AORVCMHFQKYGJE-BOPFTXTBSA-N 499.206 6.165 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(Cl)cc1 408772658 GPSVTLRSRAJGRR-MFOYZWKCSA-N 477.786 5.512 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Cl)c2)cc1 408787798 GKQMWORECUMGPA-XDHOZWIPSA-N 464.880 5.390 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC#N)c(Br)c2)c(C)c1 408788952 NIRCESLTNYJABL-OVCLIPMQSA-N 489.167 5.277 50 40 JKGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 408789554 MGHRYEUCOFLSQA-XAYXJRQQSA-N 477.630 5.130 50 40 JKGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OCC 408798832 XKWVYRYVBJMREA-XNTDXEJSSA-N 459.727 5.059 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(C)c(C)c1 408809137 KDJGLIISYKGTQE-YDZHTSKRSA-N 474.988 6.789 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)CC)c2C)sc2c1CCCC2 408816978 SSAJXKOMAUADJT-DQPIFXJKSA-N 453.608 5.033 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408820120 VGYLRGXNNIYYBM-MFOYZWKCSA-N 481.867 5.521 50 40 JKGB CC(C)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 408828576 HXRLSMBNPPSBKE-RUMWWMSVSA-N 483.656 5.940 50 40 JKGB CCOc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br 408858044 RMKAHRCVXDFMMB-FBHDLOMBSA-N 466.129 5.120 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Cl)c1OS(=O)(=O)c1ccccc1 408892738 CQYCNQPHIRDHIT-JVWAILMASA-N 494.956 5.033 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 408921749 BRMIWCQITHJZHV-FOWTUZBSSA-N 471.727 6.412 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(-c2ccccc2)cc1 408962872 KTDQYBLQOHMPBR-LJUMEUDFSA-N 461.487 6.544 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409071817 SHWNBEQPFOHGJU-GHRIWEEISA-N 479.945 5.447 50 40 JKGB O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cccc2ccccc12)c1ccccc1Cl 409218256 DVOJIRPCAYJVAR-DICXZTSXSA-N 473.872 5.385 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)cc1OCC 409316777 ZUWFMTYXUKDXPP-MBTHVWNTSA-N 487.383 6.134 50 40 JKGB CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3Cl)=C2C#N)cc1 409317433 QMUXYKDJMJOFME-CQSZACIVSA-N 478.426 5.426 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccco1 409367997 LFKZVEWYRORYND-AUEPDCJTSA-N 468.134 5.692 50 40 JKGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)o2)c1 409390492 DIGMOLHEGPXNBG-VUTHCHCSSA-N 452.510 5.406 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3sccc3C)n2C2CCCCC2)cc1 2223518 GDHZUHNRLDSYLO-ZVHZXABRSA-N 453.637 5.371 50 40 JKGB N#C/C(C(=O)Nc1ccccc1F)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2322596 VQJHFDFBOORJGU-UTDQILSNSA-N 477.948 5.544 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3cccc(C)c3)N(c3ccccc3)C2=O)cc1 2363701 STIFKEYWQFARPY-FYAMCCBRSA-N 453.567 5.368 50 40 JKGB O=C(NCCSCc1c(Cl)cccc1Cl)[C@H]1Cc2ccccc2[C@@H]1C(Cl)Cl 3170893 ODWHGOCRXCLUDO-KSSFIOAISA-N 463.257 6.103 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 8812629 WNEPECUVVAXVOA-OPEKNORGSA-N 467.241 5.500 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccccc1Cl 9046296 CMQNGTJKBFXEFD-MYYYXRDXSA-N 499.086 6.270 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(Br)c1OCC 13387944 PRASVJWUYFXXFB-OQLLNIDSSA-N 474.311 5.009 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 16292971 QYZVYZQNUZWAJU-UVTDQMKNSA-N 473.779 6.701 50 40 JKGB Cc1c(Br)cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc1Br 33661313 DMWCHJXRUDOAIX-WUXMJOGZSA-N 466.223 6.787 50 40 JKGB N#C/C(=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2cccs2)c(NC(=O)c2cccs2)s1 102991698 FUJNALKGHHBWJC-UVTDQMKNSA-N 464.553 6.158 50 40 JKGB Fc1c(F)c(C(Cl)(Cl)Cl)c(F)c(F)c1C[C@H](Br)CBr 103534253 PGUSOCQBQVPKPD-VKHMYHEASA-N 467.309 5.771 50 40 JKGB COc1cc(/C=C(\C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl 108153746 SINTXVORURZPJS-GIJQJNRQSA-N 499.748 6.662 50 40 JKGB CCN(CC)c1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)o1 108186034 PXKQLXDBRVQUCN-QRQIAZFYSA-N 474.561 5.469 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1cccc2ccccc12 408540582 ADVXGPJBZCNLQI-OYKKKHCWSA-N 483.951 7.233 50 40 JKGB N#C/C(=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccc2ccccc2c1 408552395 STCRILBHYRATAF-ITYLOYPMSA-N 456.501 7.544 50 40 JKGB O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1F 408609896 LYVNEEROKVKWBO-LUOAPIJWSA-N 494.737 5.454 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccc(C)cc1 408677030 OPMPYINAYIMTRY-VUTHCHCSSA-N 457.574 5.337 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)c1 408746388 SJUAGYIFFIOJTP-ULJHMMPZSA-N 471.560 6.787 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccc4ccccc4c3)c2)c1 408758794 RHRKBPIXHUQBKC-HYARGMPZSA-N 484.533 5.162 50 40 JKGB CN(C)c1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1 408770864 ANHYCTBYRZRGHP-XLNRJJMWSA-N 492.535 5.939 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 408809694 IHKVUKFGHJOVCP-CJLVFECKSA-N 496.950 6.404 50 40 JKGB COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1 408824166 PVYMUXGCYRJXFJ-XMHGGMMESA-N 463.331 5.582 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OCc1cccc2ccccc12 408883329 QQTRQTRFYJXCOM-HZHRSRAPSA-N 493.519 6.190 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1cccc(Cl)c1 408886397 KMTMJVKZYUQRLN-STBIYBPSSA-N 458.945 6.235 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc(I)cc1 408886988 NLMNWGWXCPODBS-QGOAFFKASA-N 498.295 5.555 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 408888775 ALWSTTBHLONMGO-XDHOZWIPSA-N 477.904 5.690 50 40 JKGB COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 408896495 NWCJDZMOVCOWCK-GHRIWEEISA-N 467.308 5.767 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(F)c(Cl)c1 408964310 GBLWKZPNZONPJP-OPEKNORGSA-N 454.845 5.305 50 40 JKGB COc1cccc2cc(C(=O)N/N=C/c3ccccc3OCc3ccc(Cl)cc3Cl)oc12 408970731 CRJHLMYSBPXWOV-UVHMKAGCSA-N 469.324 6.091 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(OCC(=O)Nc2cccc(C)c2)c1 409046239 JLRDJDQFMUTBLD-CPNJWEJPSA-N 475.932 5.220 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 409070435 XKQGSQMPMYZARN-RPPGKUMJSA-N 486.380 5.956 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 409209737 HQGLTNUIRHBZGX-XKZIYDEJSA-N 471.469 5.883 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 409214300 SHQZHBTUZWVEIN-UVHMKAGCSA-N 468.409 6.239 50 40 JKGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 409365080 PVLQCXCZWMKXBV-KKMKTNMSSA-N 462.764 5.788 50 40 JKGB Cc1ccc(NC(=O)N(NC(=O)NC2CCCCC2)c2nc(-c3ccc(F)cc3)cs2)cc1 1415222 NAASNTRIOISVEA-UHFFFAOYSA-N 467.570 5.843 50 40 JKGB Cc1csc([C@H]2C(=N)NC(SCC(=O)Nc3ccc(C)c(C)c3)=C(C#N)C23CCCCC3)n1 3440256 BJFJCYDDDSRVFG-OAQYLSRUSA-N 479.675 5.790 50 40 JKGB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(F)cc1)N2 6445850 CWVCHWPJVBGHNO-RNBKDOAQSA-N 499.951 6.681 50 40 JKGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 8809546 BSIWWYHSOBPSKD-IPPBACCNSA-N 490.346 5.872 50 40 JKGB Cc1ccc(C(C)C)c(OCCOc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2C)c1 8860825 XUFNIAYWXFNILH-HKOYGPOVSA-N 454.570 6.430 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc(Cl)cc1Cl 9186491 FFBUCZJGOPMZPQ-QRVIBDJDSA-N 497.498 6.078 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccccc1Cl 9273074 ZOKLGULJSVQADN-YUMHPJSZSA-N 496.423 5.874 50 40 JKGB CCOc1ccc(N2CSC3=C(C#N)[C@@H](c4c(OC)ccc5ccccc45)CC(=O)N3C2)cc1 9693491 YYBAJAJDDMVBOS-QFIPXVFZSA-N 471.582 5.467 50 40 JKGB C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1cccc(C(F)(F)F)c1 12633244 SYOADWSMKUOOLG-APLBGHMTSA-N 475.511 5.028 50 40 JKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1 12658501 YOEVOMWQALRXTN-LTGZKZEYSA-N 458.521 6.128 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCCOc2ccc(C)cc2C)cc1 13899490 MPWXADUJUYEGST-FYJGNVAPSA-N 495.406 6.922 50 40 JKGB CC(C)(C)c1ccc(C(=O)Oc2cccc(/C=N/NC(=O)CSc3nc4ccccc4o3)c2)cc1 15945791 HXMNYVVSZBVLQL-LQKURTRISA-N 487.581 5.587 50 40 JKGB COc1ccc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1COc1ccc(F)cc1 18122344 MXQSWQKMGJSPRN-OXUBWTJQSA-N 497.741 5.115 50 40 JKGB CCCCSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccc(Cl)cc2Cl)=C(C)N1 20347512 ZCEXJDXDKCBDDT-HXUWFJFHSA-N 462.402 6.454 50 40 JKGB C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 27021177 DANIENKGBPKKNF-HAVVHWLPSA-N 478.527 5.467 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1OC 28217617 FYLDNCSNCLPMLQ-LGJNPRDNSA-N 460.361 5.111 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)Sc3nc4ccccc4s3)c2C)c1 33649218 NALUUCXHVYPQPH-KGENOOAVSA-N 459.596 6.537 50 40 JKGB Cc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(-c2ccccc2)cc1 58887469 BVIMTIZZYWJUMJ-AWUWXFTQSA-N 451.570 5.725 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(C)cc1 59104493 KIIVAWXPNIXCLO-XYGWBWBKSA-N 479.580 5.720 50 40 JKGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 59335938 RGENBAYZMWINFY-LCYFTJDESA-N 452.135 5.866 50 40 JKGB CCCC[C@H](I)C[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95677032 JQEZOODFYSEAMT-BQBZGAKWSA-N 496.098 6.405 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1C 408567577 OQBHPMTXTVPGPM-VULFUBBASA-N 496.361 5.246 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4c(Cl)cccc4Cl)c3)CC2=O)cc1 408606031 LASRVXQUYHSKCC-QGZVFWFLSA-N 484.383 5.377 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccccn1 408722592 LMXJBAHTVOISCC-JFLMPSFJSA-N 460.331 5.340 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1-c1ccc(-c2ccccc2)cc1 408723948 AWIFLYUUODIFJQ-UZWMFBFFSA-N 490.994 6.932 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccccc2Cl)cc1-c1ccc2ccccc2c1 408724507 LGYMDWIKYRXKRD-UXHLAJHPSA-N 464.956 6.418 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1C#N 408734947 LWEZEZJXRZXTMP-LPYMAVHISA-N 471.944 6.043 50 40 JKGB COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c([N+](=O)[O-])cc1OCc1ccccc1 408744631 ZBHXJEJFJMBDGI-OCKHKDLRSA-N 479.496 5.191 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc2ccccc2c1 408746798 VUZJIEKTGVIHOR-UCQKPKSFSA-N 468.940 6.626 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408764449 WVTYFZIMDHFLNV-LSHDLFTRSA-N 478.686 5.043 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1ccccc1Cl 408788702 MCISBCIVXHEYKC-KGENOOAVSA-N 490.943 5.650 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408792647 BRECFGSMLUFJTG-LFIBNONCSA-N 484.314 5.696 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 408797509 RZLOTFUDAHOWLO-YBFXNURJSA-N 496.350 6.589 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2Br)cc1C 408803269 NBTKRZZARPERBZ-YDZHTSKRSA-N 489.413 6.807 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc([N+](=O)[O-])c2)cc1Cl 408805519 LAQXMHCYHGIIDM-VCHYOVAHSA-N 482.323 6.335 50 40 JKGB Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1C 408815446 JJTWTOFVEYFOGG-ZMFRSBBQSA-N 464.363 5.984 50 40 JKGB Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 408817359 SZZYMSVEVZLVGM-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)c1 408832925 SFTXGKQDODJHDI-ITYLOYPMSA-N 461.565 6.527 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1Cc1ccccc1Cl 408867758 NBJAAMKBDZBYKU-WOJGMQOQSA-N 469.343 6.668 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccccc1 408875879 LXFDIWGBNICNME-XDHOZWIPSA-N 451.751 6.239 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1cc(C)cc(C)c1 408894412 IBELZOUNVVYVEI-ZMOGYAJESA-N 489.015 7.097 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1c(Cl)cccc1Cl 408898711 MKNNRGNAVKRCGW-UVHMKAGCSA-N 477.775 6.388 50 40 JKGB O=C(N/N=C\c1cccc(OCc2ccc(F)cc2)c1)c1cc2cc(Br)ccc2o1 408938166 HHEUYITZLOJFLN-ZMFRSBBQSA-N 467.294 5.677 50 40 JKGB Cc1cccc(Cn2cc(/C=N/NC(=O)c3cccc(I)c3)c3ccccc32)c1 408996830 NFBQMSRVFBFQCH-VULFUBBASA-N 493.348 5.367 50 40 JKGB N#CCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br 409034622 IDOBSQPKVLCTIQ-NTFVMDSBSA-N 485.341 5.331 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2Cl)c1 409050068 ZVQBJXZPKCAJDN-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB N#C/C(=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccccc1 409078779 IDYCYLCARNHTME-FOWTUZBSSA-N 453.376 5.952 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1 409207817 ANJWOVMTBCZVFA-ZMOGYAJESA-N 455.923 5.070 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2cc(C)ccc2C)cc1 409258103 WKSSTQXHNUGZCK-MOSHPQCFSA-N 489.959 5.529 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)N/N=C/c3cccc(OCc4ccc(Cl)cc4)c3)CC2=O)cc1C 409260296 OEQOFNQNUDNWJX-RUEQZMELSA-N 475.976 5.039 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 409361079 GPNDZMCJIDGMSA-FDVSRXAVSA-N 485.411 6.281 50 40 JKGB O=C(Cn1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc21)Nc1ccc(F)cc1 977459 CGQUKKDMZFUTKI-VVEOGCPPSA-N 482.437 5.202 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc23)cc1O 2761410 WSSBQTAQNQHJFR-LQKURTRISA-N 455.514 5.167 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Br)cc2F)cc1)c1nc2ccccc2[nH]1 9187419 OKAAUWQMXQBDKI-LFIBNONCSA-N 491.320 5.546 50 40 JKGB COc1ccc2nc(/C(C#N)=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)[nH]c2c1 9263549 ATXMHNPWWRTXOW-XNTDXEJSSA-N 480.402 6.355 50 40 JKGB Cc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)c(C)n1-c1ccc(Br)cc1 12559729 ITCYBGIQQOSQRE-DEDYPNTBSA-N 460.400 7.044 50 40 JKGB CCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(OCC)c1 13027752 OQFJGHROKKIIKD-LFVJCYFKSA-N 452.579 7.339 50 40 JKGB Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C2=C(CCCC2=O)N1 13161174 LAVVGNRGJHIUHW-NRFANRHFSA-N 453.951 5.042 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccccc2)cc(Br)c1OCc1ccc(C)cc1 28218102 AIXZXBMCGKSMKT-CVKSISIWSA-N 467.363 5.038 50 40 JKGB CC(C)(C)c1ccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1 30743070 ARFATHKDRLJWFW-MSXFZWOLSA-N 491.107 6.024 50 40 JKGB O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 32116874 LQLQEPVKEVYVFX-UUYOSTAYSA-N 456.867 5.072 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Cl)cc1Cl 59201071 GMIJZSYAQRBZOK-WQRHYEAKSA-N 471.771 7.080 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c(C)c1 59201732 WDUHGDVIEICVND-UDWIEESQSA-N 451.353 6.735 50 40 JKGB CCOC(=O)c1c(NC(=O)[C@@H](Br)CC)sc2c1CC[C@@H](c1ccccc1)C2 74941533 XUFBZUQBAGXDBC-ZBFHGGJFSA-N 450.398 5.309 50 40 JKGB CCN(CC)/C(=N\C(=C(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1 100186762 GVVUFBISDCVAMT-COOPMVRXSA-N 471.368 6.393 50 40 JKGB CCCCC[C@H](C)Cn1c(SCC(=O)/C(C#N)=C(/C)N)nnc1-c1ccc(C(C)(C)C)cc1 103141182 GREZDXUNHIEVHM-HBNHWDEFSA-N 467.683 5.876 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)C3=C(O)CCCC3=N2)c(C)c1 104077367 IKIMVHAEGDVWNQ-VWLOTQADSA-N 457.599 6.253 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OC 408540037 MCDQUIZXBZCOLY-VYYCAZPPSA-N 456.892 6.090 50 40 JKGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 408552864 LFESVRQCZXZZJC-OQLLNIDSSA-N 498.402 5.380 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1OC 408580580 CPPDAWAKDAHSKQ-GIJQJNRQSA-N 474.771 7.307 50 40 JKGB O=C(N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccc2ccccc2c1 408598712 JDJGICJAZXDJRL-BIZUNTBRSA-N 453.545 6.760 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)o1 408739262 AOZNEZIGYWVYAC-VYYCAZPPSA-N 476.920 5.988 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1cccc2ccccc12 408789562 KCMBJUBJVNJAJU-FYJGNVAPSA-N 484.939 6.332 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1cccc(C)c1 408799584 ZYWSCLBJNVLCJW-RGVLZGJSSA-N 481.379 6.825 50 40 JKGB CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccc(OC)cc3)c2C)cc1 408806471 AWUJEPGBLZJABZ-ULJHMMPZSA-N 456.590 5.172 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc([N+](=O)[O-])cc1 408815441 HRORUYHPBCLBLP-QNGOZBTKSA-N 457.461 5.587 50 40 JKGB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)NNC(=O)c4ccccc4)cc3)sc2c1 408840815 BUOWIGIJTNWDCH-UHFFFAOYSA-N 463.946 5.190 50 40 JKGB Cc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)c1C 408857027 JFKCHOBBLRZWEL-UIBKJUBESA-N 457.599 5.150 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2cccc3ccccc23)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408858213 QTLDXUAQMFDDIZ-MUXKCCDJSA-N 475.932 5.128 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc2ccccc12 408875886 MANKDZWXTXSVAC-LFVJCYFKSA-N 466.968 7.180 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)c1cccc(C(F)(F)F)c1 408963845 PQLPPQOROHXMRN-KVSWJAHQSA-N 495.270 5.950 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OC)c1OCc1ccc(C)cc1 408968359 VYELUJQSOYLUHU-OKCVXOCRSA-N 457.505 5.086 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2c(C)cc(C)cc2C)cc1)c1ccccc1 408976375 APPHVFINXQABHR-BIAHDLMSSA-N 487.600 5.518 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1 409009675 BGBPDFOKUKZNPW-LGJNPRDNSA-N 456.329 5.083 50 40 JKGB COc1cc(/C=C(\C#N)c2ccccc2)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409088967 HWYZMUMDNYSLHC-CXUHLZMHSA-N 496.273 6.131 50 40 JKGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)CSCc3c(Cl)cccc3Cl)c2C)c1 409129457 GQCSMLCHGWZOKY-KKMKTNMSSA-N 474.457 6.401 50 40 JKGB Cc1[nH]nc2c1[C@H](c1ccc(OCc3cccc4ccccc34)c(Br)c1)C(C#N)=C(N)O2 409139876 PDAJJXLNICOOCL-HSZRJFAPSA-N 487.357 5.431 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409195998 YBHBUBCARCFYBJ-ZDLGFXPLSA-N 469.925 5.192 50 40 JKGB Cc1ccc(C)c(OCCn2cc(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)c3ccccc32)c1 409207634 ZCZLMHSHLZVSCS-HZHRSRAPSA-N 493.563 5.289 50 40 JKGB Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1c2ccccc2cc2ccccc12 409254929 GIJVTCVVWSIOFI-STBIYBPSSA-N 457.961 6.214 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2Cl)cc1OCC 409322287 JSDUWHCUSJLGGD-QRQIAZFYSA-N 464.949 5.646 50 40 JKGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2Cl)cc1OC 409333265 NZZLSLQIELHCBT-ZMFRSBBQSA-N 459.329 5.354 50 40 JKGB C[C@H](CCCO)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 575232471 UCVRDHODXFXHIG-GSLUGYJYSA-N 472.830 8.285 50 40 JKGB in-vitro Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 1773244 AOXTWKCPNYMTRC-LDADJPATSA-N 451.309 6.067 50 40 JKGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(CSc2ccc(Cl)cc2)c(C)cc1C 2111840 QZWSCWOMAAWXDI-QHCPKHFHSA-N 469.006 5.894 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(OC)cc3)C(=O)N2c2ccccc2)cc1 2222327 VQJTWCVBZOJFDI-CHTIKVTKSA-N 483.593 5.323 50 40 JKGB COc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3C)N(c3ccccc3C)C2=O)c1 2264385 IPMNLBLVAJQTIB-KVILUOORSA-N 483.593 5.377 50 40 JKGB Cc1ccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)s1 2326096 UTRQQAPPTBFMGI-SSDVNMTOSA-N 470.670 5.596 50 40 JKGB O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccn(Cc2ccc(Cl)cc2)n1 8780784 FOCICWWQPZEDPJ-BRJLIKDPSA-N 484.299 5.170 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC 9322190 AXUCXOZNCOTSNG-MHWRWJLKSA-N 473.754 5.367 50 40 JKGB CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)c1ccc(Cl)c(Cl)c1)=C(C#N)[C@H]2c1cccnc1 9630495 IZMWYDDENJYOOW-JOCHJYFZSA-N 498.435 6.070 50 40 JKGB CC[C@@H](C)c1ccc(OCCn2c(C)c(/C=N/NC(=O)c3ccncc3)c3ccccc32)cc1 9886215 OXZPLDXHMDUFFM-PAYBXDNHSA-N 454.574 5.701 50 40 JKGB CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC2CCCCC2)cc1 12311289 YQZFDQRYQYMMDT-NJNXFGOHSA-N 496.655 6.854 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 12628462 KXVQKZDYKSMDGC-AUEPDCJTSA-N 462.383 6.106 50 40 JKGB N#C/C(=C\c1cc2ccccc2nc1Cl)c1nc(O)c2cc(I)ccc2n1 15906501 JYFQSLPZGMTTDZ-MDWZMJQESA-N 484.684 5.206 50 40 JKGB C/C(=N\NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccc(C(C)(C)C)cc1 20240457 YIBOARSRBOPSNN-FEZSWGLMSA-N 482.672 5.456 50 40 JKGB Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)CCSc3ccccc3)c2C)c1 20243901 SDRIBPKAWGUJKC-MFKUBSTISA-N 470.436 5.798 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)cc1C 27018600 DDDKLJCUZGZLGW-OQKWZONESA-N 476.605 7.310 50 40 JKGB COc1cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1ccccc1 33386289 MPJRRKLMLMQXGU-LGUFXXKBSA-N 490.559 6.399 50 40 JKGB N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccccc1 59427696 NBEFVEXRFCUNEU-NHFJDJAPSA-N 467.528 7.784 50 40 JKGB CC(C)=CCC/C(C)=C/C=N\NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C\C=C(/C)CCC=C(C)C 104385035 NBVXLNMQFFNYMV-HJGITWIESA-N 474.715 6.086 50 40 JKGB O=C(N/N=C\c1ccccc1Sc1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 108983178 LAFSTMBIWQLTTR-CFRMEGHHSA-N 467.959 6.378 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 408527005 DRAMHRDYTUGXBY-JLPGSUDCSA-N 498.380 7.496 50 40 JKGB O=C(Cc1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1 408717993 YHHAKNGHSAZCDR-AFUMVMLFSA-N 471.738 5.015 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)c1 408745404 RQNFWVGPINCKEI-NTFVMDSBSA-N 489.663 7.416 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408746997 XSXMOAMRGZNWCX-GDNBJRDFSA-N 494.847 5.503 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)NCc1ccccc1 408748107 YKYMACWAELIPIG-GRSHGNNSSA-N 471.771 6.449 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1cccc(F)c1 408793624 PTALKYNCSPCTLT-LICLKQGHSA-N 497.320 5.427 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1 408802761 HCBMWUANRWTZQX-CIAFOILYSA-N 476.960 6.186 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(OCc2ccc(Cl)cc2Cl)c1 408804209 DEWGPBAJCRMHNW-YBFXNURJSA-N 467.352 6.435 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OC(C)C 408808287 FJFUBRNZCUAFIH-OQLLNIDSSA-N 463.759 5.834 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1Cl 408814733 HNKSVKIRQCGTHT-NTCAYCPXSA-N 484.339 6.361 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)cc(C)c1OCc1ccc(F)cc1 408842658 BRBHGRPXYVJUDA-UVHMKAGCSA-N 485.353 5.313 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)c1OCc1ccc(Cl)c(Cl)c1 408879724 FBNZHHQYJFLTJB-SFQUDFHCSA-N 497.334 5.825 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OCc1c(Cl)cccc1Cl 408885737 FUMCXKMQJYPFBY-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OCc1ccc(F)cc1 408926211 WDYTZZMMDDKRLZ-LICLKQGHSA-N 480.879 5.311 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1 409044295 BRADDIXMSKTRTJ-CXUHLZMHSA-N 486.286 6.165 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc(Cl)cc1 409139004 KZVKJOQBHNTANQ-JOCHJYFZSA-N 485.367 5.786 50 40 JKGB Cc1[nH]nc2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c1)C(C#N)=C(N)O2 409145459 IJZABLVMUCFTBZ-IBGZPJMESA-N 461.736 5.476 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2)cc1Cl 409257141 QZCAOSBARSAPHL-BKUYFWCQSA-N 473.960 5.828 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCc1ccc(Cl)c(Cl)c1 409311385 FUGXMLDUCWLDBV-HMAPJEAMSA-N 474.387 8.188 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(Br)ccc3OCc3ccc(C)cc3)[nH]c2c1 409390856 FZTVTXVAODPBQZ-ODLFYWEKSA-N 474.358 6.286 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(OCC)c1OCc1ccccc1 409390983 GMZQWAVALIHMGM-HAHDFKILSA-N 465.553 6.342 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)o2)cc1 1453959 QYEAPNNOAUTLQJ-LFIBNONCSA-N 455.297 5.976 50 40 JKGB O=C(COc1ccccc1-c1cnn(-c2ccccc2)c1)N/N=C/c1cc2ccccc2nc1Cl 2150548 ZMFRCKHNEVKCOG-WKULSOCRSA-N 481.943 5.270 50 40 JKGB N#C/C(=C\Nc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 2281560 JIQJVKWDOSIIKR-FMIVXFBMSA-N 484.728 7.221 50 40 JKGB Cc1cc(COc2ccc(Cl)cc2C)c(C)c([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1 2748020 OKWREAJIIDAMJZ-HOFKKMOUSA-N 483.015 6.438 50 40 JKGB COc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1COc1ccc([N+](=O)[O-])cc1 2754749 IQZWXCDEVRGIRT-LGJNPRDNSA-N 495.944 5.814 50 40 JKGB O=C(N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1cccc(C(F)(F)F)c1 4106959 PETYVJUWBGGZEH-KPGMTVGESA-N 471.482 6.626 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3)s2)ccc1OCc1ccccc1 8763842 QPABRHHDWDOINI-OEAKJJBVSA-N 481.577 5.867 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1N/C=C(\C#N)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 9008169 ATHRGALHMOWCQM-GXDHUFHOSA-N 475.442 5.018 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1C 9235043 MCVOUMTZNIOQFA-HYARGMPZSA-N 469.541 5.184 50 40 JKGB COc1ccc(Cl)cc1/C=N/NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 9295775 RGRGYMQBQHOYDF-KIBLKLHPSA-N 468.888 5.260 50 40 JKGB O=C(CCc1ccccc1)N/N=C(/c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1 13895955 UDXXXEMCFRUWKD-JDCMOKTRSA-N 464.409 6.226 50 40 JKGB N#CC1=C(N)Oc2c3c(c4ccccc4c2[C@@H]1c1ccsc1)[C@@H](c1ccsc1)C(C#N)=C(N)O3 18276108 LWHKJYHQYRKASM-BGYRXZFFSA-N 480.574 5.399 50 40 JKGB O=C(NN=C1CCCCCCCCCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 20247293 LOBCZDNRTKQJLT-GDLZYMKVSA-N 491.701 6.851 50 40 JKGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20387388 JLDSOEWDSLPMNY-VYVUJPJFSA-N 478.824 5.139 50 40 JKGB C/C(N)=C(/C#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1C(C)C 21548709 IVAAQIFZPACUCU-XDJHFCHBSA-N 451.983 5.129 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)Sc1nc2ccccc2s1 33620437 UVORUVFNVMLNNH-LDADJPATSA-N 479.424 7.295 50 40 JKGB C=CCOc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1 33657008 HAMRIJRHQCBGTM-MIXAMLLLSA-N 469.541 5.595 50 40 JKGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 59101462 DEHNXLJFUJIZOG-MZJWZYIUSA-N 470.356 5.224 50 40 JKGB N#C/C(=C/c1c(F)cccc1Cl)c1nc(-c2cccs2)c(NC(=O)c2cccs2)s1 102991715 VPVRCWHVXAAVIN-BENRWUELSA-N 471.991 7.042 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1Br 408581535 XRGWRZIGPVEZME-WUXMJOGZSA-N 485.990 6.595 50 40 JKGB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(-c3ccc(Br)cc3)o2)N2C(=N1)SC(C#N)=C2N 408603371 GEXNXMCACKVXJW-IBGZPJMESA-N 499.390 5.046 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1ccccc1 408741450 IZDJIEVLOSPALR-PXNMLYILSA-N 492.189 7.425 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 408747119 ZSQKEGBPVKPQQM-PDGQHHTCSA-N 450.336 5.411 50 40 JKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 408801307 VAZDAEVBGVKSJN-CPNJWEJPSA-N 464.363 5.719 50 40 JKGB Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1 408816062 SINZEDJDCKBFRP-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2cccn2-c2ccc(Br)cc2)ccc1Br 408846110 OUSUEOXMDOKQIB-UUYOSTAYSA-N 476.172 5.466 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1O 408851483 CAXRBRYGQKERIA-RHANQZHGSA-N 473.960 5.974 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(I)o2)cc1 408859090 WHIVGSLXFDDMIR-MYYYXRDXSA-N 495.320 5.414 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1Cc1cc(C)cc(C)c1 408868654 NGVJLAAQWCILJK-WSDLNYQXSA-N 493.434 7.454 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2Cl)cc1 408871336 ZFGWMIBQXSLHJN-XSFVSMFZSA-N 451.353 6.529 50 40 JKGB N#C/C(=C\c1c(Cc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 408877715 TYMCEHXUESGXRB-RCCKNPSSSA-N 490.912 7.648 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3Cl)ccc3ccccc23)cc1 408879336 FEIAAKAVXRZZMW-PTGBLXJZSA-N 466.968 7.028 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OC(=O)c1cccc(F)c1 408880067 ITOHEWJYBHYUAU-WOJGMQOQSA-N 464.880 5.561 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 408880751 IOWRIHGTRKZYPK-XDHOZWIPSA-N 496.972 5.279 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1ccc(C)cc1 408893782 HPRIPFZMHUKZQW-HYARGMPZSA-N 460.961 6.480 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1OCc1ccc(Cl)cc1Cl 408899887 RMHUENMKVOLPPZ-LICLKQGHSA-N 497.334 5.825 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Cl)c1OCc1ccc(F)cc1 408922728 GEXQIOCVCCSUEB-GIJQJNRQSA-N 495.894 5.829 50 40 JKGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2c(F)cccc2Cl)c(Br)c1 408922782 GMYFHTGSLRGFIS-JXMROGBWSA-N 472.539 5.858 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 408936058 JUZFQNZUUDSHQU-WQRHYEAKSA-N 456.851 6.483 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1Cl 409052357 JTRHCDGWMKBFGT-DHRITJCHSA-N 457.755 5.754 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 409066789 CNHXTPQIGFTWFJ-CJLVFECKSA-N 499.592 5.830 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409068258 IGLMARPFSZJUNK-BUVRLJJBSA-N 483.524 5.134 50 40 JKGB N#C/C(=C\c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)c1ccccc1 409088880 KWWHXLJZMOGBRN-OVCLIPMQSA-N 479.241 7.777 50 40 JKGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 409343721 FDKGFXPQMXGOSF-YSURURNPSA-N 467.150 5.578 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(I)cc1 409368723 JTTRGFKCPYQEGV-ZROIWOOFSA-N 476.657 6.177 50 40 JKGB Cc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 409392555 QPGBUQVCNKTANA-OCSSWDANSA-N 476.407 6.683 50 40 JKGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)C(c1ccccc1)c1ccccc1 409392917 UCCISSYKFJHOLN-VUTHCHCSSA-N 462.578 5.883 50 40 JKGB CC(C)Oc1ccc([C@@H](CCN(Cc2ccc(N(C)C)cc2)C(=O)CCl)c2ccccc2)cc1 1795585 FRYFEHAKTZZMLQ-NDEPHWFRSA-N 479.064 6.329 50 40 JKGB biogenic O=C(CNc1cccc2ccccc12)N/N=C/c1ccccc1OCc1ccc(Br)cc1 1954187 ZCLJJCDVGJKRCZ-MUFRIFMGSA-N 488.385 5.744 50 40 JKGB COc1cccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)(F)[C@@H](F)Cl)n2)c1 2317971 DEEZYFLQQYEFEK-RDPWEWGOSA-N 465.884 6.301 50 40 JKGB CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccc(NC(=O)c4cccc(C)c4)cc3)ccc21 4090187 BBSXNABTTNJBHI-ZCTHSVRISA-N 474.564 6.139 50 40 JKGB CC(C)c1ccc(N2C(=O)/C(=C\c3ccc4c(c3)CCN4CCCCl)C(=O)N=C2S)cc1 9313220 IDSDYEVNBNBZJU-QNGOZBTKSA-N 468.022 5.044 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 9972470 VYZIGFWCSDQOND-MHWRWJLKSA-N 497.885 5.190 50 40 JKGB Cc1cc(C)c(N2CSC3=C(C#N)[C@H](c4c(Cl)cccc4Cl)CC(=O)N3C2)c(C)c1 12251067 ROKTUFWXORPUBZ-MRXNPFEDSA-N 458.414 6.138 50 40 JKGB O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(F)cc1)N2 12375676 SIPUAVBPFFADQX-RNBKDOAQSA-N 498.963 6.471 50 40 JKGB Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)CSc2ccccc2)c1C 20243689 NPMDEELYOGJDPC-DHRITJCHSA-N 470.436 5.716 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 33695666 MXYVUSBDOFOBQX-RPPGKUMJSA-N 476.747 5.315 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(OCc5ccccc5)cc4)c3C)[nH]c2c1 33723049 MPEPAXHOJQRZHO-UQQQWYQISA-N 458.565 6.922 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1cccc(Br)c1 33746214 XGSVMYSXTPKXGC-ZDLGFXPLSA-N 464.319 5.101 50 40 JKGB CCSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 33927754 HFKBYHDNFZKCMU-GJYPPUQNSA-N 472.941 5.327 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(Sc3ccccc3)o2)c(C#N)c1C 34720419 NFDVYJXMAZTSLB-LFIBNONCSA-N 462.552 5.568 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3F)ccc3ccccc23)c1 58834104 OWEFPEUFROPRRA-XQNSMLJCSA-N 450.513 6.720 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 59117335 MIQQHPPAVMINEG-FOWTUZBSSA-N 471.727 6.412 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccccc1F 59245248 PRCPQBVLKRLGNO-YBFXNURJSA-N 450.897 5.921 50 40 JKGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 59333902 LEUNMNGYMLQBFI-AUWJEWJLSA-N 454.151 5.330 50 40 JKGB C/C(=N\NC(=O)c1ccc(CSCc2ccccc2)cc1)c1cccc(Br)c1 59474277 MQGRCVYIBSNKQF-KOEQRZSOSA-N 453.405 6.037 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 97610445 DGBCCVSQXJSESV-NDENLUEZSA-N 488.341 5.454 50 40 JKGB CCCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100008920 HHMIEZDGBVGWJB-UHFFFAOYSA-N 487.732 9.462 50 40 JKGB CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)sc(C)c1C 101063189 GNDCIHGEHLYIRN-XNTDXEJSSA-N 454.533 5.550 50 40 JKGB COc1c(Br)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1Br 408579646 IZPINTRDVSRPHY-WUXMJOGZSA-N 471.974 6.047 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1cccc(C)c1 408580721 RGOBOUZGRCFVSH-XDHOZWIPSA-N 481.379 6.782 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cc(F)ccc1C 408607801 UVGNXUUBWFMGFD-WOJGMQOQSA-N 456.477 5.101 50 40 JKGB CC(=O)Oc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Br 408760752 FLWOQCNHKFQCEQ-LFYBBSHMSA-N 498.558 5.336 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 408762767 MCHHFRYYXVDVSN-PDGQHHTCSA-N 480.351 5.865 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Br)cc1 408788296 JLWMQVHOMZWCOR-LPYMAVHISA-N 475.386 6.499 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1cccc(C)c1 408790356 VUQDTTLMIBIBKK-YDZHTSKRSA-N 474.988 6.789 50 40 JKGB N#C/C(=C\c1ccc(I)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408791955 FROZTICACZLXIZ-FOWTUZBSSA-N 470.266 5.009 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 408793031 CYBJZXNZBMUNND-GHRIWEEISA-N 479.330 5.740 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(Cl)c2)c(OC)cc1Cl 408825298 JMZUCNZSFACQKZ-WOJGMQOQSA-N 483.351 6.135 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 408851287 XHCKRCXIUACSHD-LJUMEUDFSA-N 481.527 6.322 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1OCC 408868426 QCMHPEQVRNFLMP-OGLMXYFKSA-N 460.599 5.827 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1Cc1ccccc1Cl 408871311 WWGJVUQJIAWIGK-RGVLZGJSSA-N 465.380 6.755 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OC(=O)c1ccc(Cl)cc1 408892451 ZLJGYVYUOWUKAR-QGOAFFKASA-N 490.899 5.202 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC 408982976 JHZVIQWYMROIDZ-MHWRWJLKSA-N 475.770 5.920 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 408983113 KPUQXRLNMRIIRS-MFOYZWKCSA-N 489.761 7.219 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)c2nc3ccccc3o2)cc1 409075779 XYBIKWPDHJHJGE-SFQUDFHCSA-N 495.354 5.731 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1Br 409243187 ZQZNNWYDTWBLGV-WPBJZHHJSA-N 478.184 5.395 50 40 JKGB C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OCC)c1OCc1cccc2ccccc12 409248287 PDMUNRIWTDLSLP-UCMJSZAQSA-N 496.582 6.378 50 40 JKGB CC(C)(C)c1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(C(C)(C)C)c1O 1914918 XGQWIUHIIUFBML-DHRITJCHSA-N 455.649 5.839 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)c(O)c1 2090386 SOKSYHHKBMAGFX-RDRPBHBLSA-N 452.558 5.526 50 40 JKGB N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2335293 VDIRWHHKAVXNED-JSIHEXFSSA-N 494.403 6.058 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 2357636 BFEZNVQGIZRJFL-YMGIJWJESA-N 457.530 5.199 50 40 JKGB CCn1cc(/C=N/NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)c(C)n1 2767398 SNVUXEAFZWFFBX-RPPGKUMJSA-N 452.345 5.497 50 40 JKGB COc1ccc2c(c1)[C@H]1C(=S)SS[C@H]1C(C)(C)N2C(=O)Nc1ccc(Cl)c(Cl)c1 3193827 JXDRAZZSUFJDHZ-IAGOWNOFSA-N 485.483 7.007 50 40 JKGB CC[C@@H](C)c1ccc(OCCOc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2)cc1 8842887 BDBWELNLNSOULX-AZFHEMCLSA-N 495.417 6.184 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c(C)n1-c1ccccc1C(=O)OC(C)C 9204070 SOLGKCBMNLVYSI-JFLMPSFJSA-N 496.405 5.115 50 40 JKGB O=C(N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1cccc(C(F)(F)F)c1 9323091 YVIKMOFBVCZUNP-IBBHUPRXSA-N 466.434 6.341 50 40 JKGB COc1cc(C=NNC(=O)COc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1 11666784 JGGOUKBDCZMBOG-UHFFFAOYSA-N 497.389 5.183 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C)cc1 12600456 HBIUQXMROSFHFS-KGENOOAVSA-N 457.486 5.427 50 40 JKGB COc1ccccc1C(=O)NC1=C(C#N)[C@@H](c2ccccc2Cl)c2c(ccc3ccccc23)O1 13940925 ZLSSXYNBMPFHRP-RUZDIDTESA-N 466.924 6.191 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc2ccccc2c1 16157363 QNYJUVPZUFTDJZ-OYKKKHCWSA-N 482.967 6.935 50 40 JKGB CSc1nc(C)c(C2=C[C@H](c3ccc(Br)cc3)C(C#N)=C(N)S2)cc1C#N 25329114 SKPKRUMOENHEEF-MRXNPFEDSA-N 455.406 5.311 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2cccs2)ccc1OC(=O)c1cccc2ccccc12 30738449 CMDCJAYVECVJLC-PKAZHMFMSA-N 458.539 5.212 50 40 JKGB O=C(Oc1ccc(/C=N\NC(=O)c2ccccc2-n2cccc2)cc1)c1ccc(Cl)cc1Cl 34798887 OMUQHDZEUBGCAY-NTFVMDSBSA-N 478.335 5.767 50 40 JKGB CCOc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)ccc1OCCOc1ccccc1 41108895 QYAQRJKMBGJJAF-CAPFRKAQSA-N 485.565 6.348 50 40 JKGB N#C/C(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nn(-c2ccccc2)c(N)c1C#N 59639355 ALFVCGPEDHKKEB-QGOAFFKASA-N 486.362 6.276 50 40 JKGB O=C(/N=C1/N=C/C(=N\N(C(=O)c2ccccc2)c2cccc(C(F)(F)F)c2)S1)c1ccccc1 102940636 IYSDIYPNDVFIGA-ANKRVSIMSA-N 480.471 5.680 50 40 JKGB Cc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)c(C)n1-c1ccc(Cl)c(Cl)c1 106953453 UFISAWKPPKPMHI-VFLNYLIXSA-N 491.378 5.665 50 40 JKGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 408611241 QJNHMHCGVLVHKX-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)c1 408743230 FGAWKORWSJYYKX-NVMNQCDNSA-N 499.767 6.675 50 40 JKGB N#C/C(=C\c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1ccccc1 408767282 YWOYDVPGZMLVHX-PXLXIMEGSA-N 454.507 5.153 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccc(C(C)C)cc2)cc1 408787280 WJOVMJZMDWIPIP-RDRPBHBLSA-N 491.657 5.587 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2C#N)c(C)c1 408788187 IWOYUXHWEVLJAM-WSDLNYQXSA-N 486.369 6.062 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408792448 BGWRQQHVCUJBQL-LICLKQGHSA-N 496.292 5.621 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)cc1 408797478 RXDWUMFMPUSALI-WSDLNYQXSA-N 471.944 5.907 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Cc1cccc(F)c1 408865327 AJEHYYDGEZVDNT-VCHYOVAHSA-N 455.316 6.278 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1Cc1ccccc1F 408876967 RKVKKCYWKJBBIJ-XDHOZWIPSA-N 483.768 6.687 50 40 JKGB CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1 408879750 CXZGZAJIAYQPBR-MKMNVTDBSA-N 466.706 5.197 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2OCc2cccc(Cl)c2)c([N+](=O)[O-])c1 408887562 RRCQNGWJLPJAMS-LDADJPATSA-N 493.903 5.390 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1 408890295 QYPKFPZKZXCFLF-HAVVHWLPSA-N 496.588 6.078 50 40 JKGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)c1 408934977 DWCZSMAVNBJNEG-UXHLAJHPSA-N 480.568 5.592 50 40 JKGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)c2C)c1 408941767 QMQLLTVGMUQHCY-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C)c1ccccc1 408998326 BACRMMJMUOUXFU-QQNPRBCQSA-N 460.578 5.039 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1)C(=O)NCc1ccccc1 409066201 BBFPBSQKMNTYMZ-KEBDBYFISA-N 481.335 5.494 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OC(C)C)cc3Br)cc2c1 409189932 NVKXCZPROXVMJT-MXAYSNPKSA-N 489.366 5.544 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1ccccc1 409227557 PXRNYUWICMOWHR-SOSVVEOHSA-N 455.561 6.627 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 409247528 IBXGIBYUPZKVSN-CXUHLZMHSA-N 478.301 6.965 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)ccc1OC 409313040 AVFXLEOTIVKWGI-QDTIIGTASA-N 491.346 5.883 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 409378651 QYQZASUSCRDVJH-KQWNVCNZSA-N 497.982 6.578 50 40 JKGB O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1ccco1 409399334 ZQHDNUAFXCIPSE-UHFFFAOYSA-N 483.911 6.064 50 40 JKGB Cc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccc(Br)cc3)CC(=O)N2)c(C)c1 874767 KSHHJCKFDGXYRF-SFHVURJKSA-N 455.377 5.021 50 40 JKGB O=C(Oc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3Cl)n2)cc1)c1ccccc1 2097053 PKAXEHAZHMMDDX-RWPZCVJISA-N 493.350 5.221 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cn(CCOc2ccc(C(C)(C)C)cc2)c2ccccc12 6444054 ARYALTPKBHHLNQ-FCDQGJHFSA-N 477.608 6.872 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)CC(=O)N2)c1 9089566 RDYDBGPOLQVWMS-DEOSSOPVSA-N 483.593 5.285 50 40 JKGB Cc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1C 9614448 IETXBDAWSKTVDY-VULFUBBASA-N 467.363 5.174 50 40 JKGB COc1ccccc1C(=O)NC1=C(C#N)[C@@H](c2ccc(Cl)cc2)c2ccc3ccccc3c2O1 9730688 JSJKNQHGUIDZJG-VWLOTQADSA-N 466.924 6.191 50 40 JKGB CC(/C=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)=C\c1ccccc1 12464941 CZKVVTMXTJZXQI-OSELTCGRSA-N 490.679 6.281 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)cc1 20764786 FPDNYFNFYRTGIW-RWPZCVJISA-N 487.383 6.134 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OCc1ccccc1 40889018 OWMCUFIHELGMJQ-LQKURTRISA-N 495.417 6.098 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c1 59255077 OAXWPZLXHUUBOB-LFIBNONCSA-N 467.308 5.767 50 40 JKGB C/C(=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 59366735 YIAWKAHUUOCBPT-SGWCAAJKSA-N 477.630 5.028 50 40 JKGB O=C(CSCc1ccccc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 59499266 KDHOFUJIZXYMGX-AFUMVMLFSA-N 469.404 5.412 50 40 JKGB COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)N=C3CCCC(O)=C32)ccc1O 102875355 VGFKNMDVZPOXRB-QHCPKHFHSA-N 461.543 5.042 50 40 JKGB CC(C)=C[C@H](O)C/C(C)=C/CC/C(C)=C\CC[C@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@@]1(C)O 104232843 CMKAMRUVQONAPO-ADRFJPHESA-N 474.726 6.612 50 40 JKGB CC(=O)Nc1ccc2c(c1)[C@@H]([PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-2 104391491 OYOFJOFJTWCPSG-XIFFEERXSA-N 485.567 6.441 50 40 JKGB CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)CSc2nc3ccccc3s2)cc1OC 110220893 AGTUUIUUJVWGPY-ICXMQADFSA-N 464.012 5.378 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc3c(c2)c2ccccc2n3CC)c(C#N)c1C 408546953 PJJJFSIDELXWCK-XDHOZWIPSA-N 481.577 5.951 50 40 JKGB CCCOc1c(I)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OC 408581573 IYIHCORLUIOZJQ-CXUHLZMHSA-N 479.314 5.170 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1cccc(F)c1 408735049 MXXMFHPFSRENON-RGVLZGJSSA-N 464.924 6.311 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1ccc(Br)cc1 408744368 KRKZRKSLWWQEIF-AQTBWJFISA-N 451.295 5.713 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)c1 408745065 JLCRORHINWIIGL-MOSHPQCFSA-N 462.933 5.872 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1OCc1cccc(F)c1 408772333 KRTNXNCLEFIYAU-XKZIYDEJSA-N 474.532 6.136 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 408782619 XLPVYGZTPFKQQJ-UYRXBGFRSA-N 450.897 6.002 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408787707 FEKYZKILTNQLDI-CXUHLZMHSA-N 475.734 6.911 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1 408793099 DAESDEDVQVIAEK-CIAFOILYSA-N 495.406 7.134 50 40 JKGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 408818021 OSCAMLHDDOHPCI-QXGPWOGGSA-N 458.989 6.674 50 40 JKGB Cc1ccc(C)n1-c1sc2c(c1C(=O)N/N=C/c1cc(C(C)C)c(O)c(C(C)C)c1)CCCC2 408849564 WSUMOZXLNRZJMQ-WKULSOCRSA-N 477.674 6.751 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 408886091 HYIVCJMOLGDNAE-NTUHNPAUSA-N 482.161 5.875 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Br)c1 408894744 JDBBNRCDOINYGN-LPYMAVHISA-N 475.386 6.499 50 40 JKGB C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1nc2ccccc2[nH]1 409047796 PMTHRKAQDRYDIJ-MDWZMJQESA-N 457.125 5.164 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1 409072249 BLOAVCJNPWPDOT-QGOAFFKASA-N 497.370 5.071 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 409074382 QLXOXURTYSNBTI-FOWTUZBSSA-N 473.337 5.307 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 409181070 VMOTWYJTXMOYHT-CCVNUDIWSA-N 471.384 5.891 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3c(OCc4ccc(F)cc4)ccc4ccccc34)cc2c1 409187519 RLJAGPSQXODXET-LJUMEUDFSA-N 482.511 6.467 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC 409302238 IGPAXEGEGQHLSW-YUMHPJSZSA-N 450.922 5.256 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 1454288 VAFYHTOWYCPLBE-LFIBNONCSA-N 455.297 5.976 50 40 JKGB O=C(NC(=C(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 2686538 MHTRSRYJYOIMDG-UHFFFAOYSA-N 450.689 5.688 50 40 JKGB Cc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)n1-c1ccccc1 2730178 FMMUAWPZJCQROL-ZCTHSVRISA-N 473.661 6.478 50 40 JKGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(COc2ccc(Cl)cc2)c(C)cc1C 2805840 ATDLITFOIOGKLP-QHCPKHFHSA-N 452.938 5.181 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 9264690 GWUDYXQAMRVSLA-DPNNOFEESA-N 484.559 5.920 50 40 JKGB O=C(N/N=C/c1c(F)cccc1Cl)c1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 9634082 VQFOYLHHTDSLDA-KKMKTNMSSA-N 499.873 5.063 50 40 JKGB CC/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccc(O)cc1 12401981 AGHQQBCIPRHVTJ-HFTWOUSFSA-N 479.005 5.466 50 40 JKGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 12579348 FKCCNEFTAMBXGM-IZZDOVSWSA-N 459.649 5.676 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 20197596 QGCWVVLQGPVUPS-UXHLAJHPSA-N 472.972 6.625 50 40 JKGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)c1 20240855 MSGPWRWNROABQW-LGJNPRDNSA-N 484.463 5.857 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CSc4ccccc4)cc3)c2C)c(C)c1 28216873 QTOUYBFHQFGRHC-UXHLAJHPSA-N 467.638 6.767 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc(Cl)c(Cl)c1 34689998 CKGVLBZGPHSTKM-ZDLGFXPLSA-N 464.352 6.830 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 59297252 OFFYDJCNLKZGKG-NDENLUEZSA-N 467.352 5.804 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cccc(I)c1 59447378 QHTWWFVQLVAACR-ZMOGYAJESA-N 490.728 5.288 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 59500470 YOXULWIQRLDAKT-WGARJPEWSA-N 457.313 5.375 50 40 JKGB N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cccc(C#N)c1 107655825 MFXCZYVFSSHCRL-JMIUGGIZSA-N 494.186 6.726 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1C#N)c1nc2ccc(F)cc2[nH]1 408570416 UUEMEULOUSAOBI-NVMNQCDNSA-N 473.305 5.979 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1OC 408581129 GHZVYWZTLAVGKA-UDWIEESQSA-N 462.933 5.747 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1cccc(F)c1 408581434 WQIOUMOATQNKOY-VXLYETTFSA-N 486.768 7.283 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OCc1ccc(Br)cc1 408727595 UPTBOUSQYXTGSQ-CVKSISIWSA-N 483.362 5.199 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)c1 408745061 PCLYESGROKQYKU-JMIUGGIZSA-N 462.336 6.298 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(F)cc1 408745391 RIKKIMALXQEORW-ODLFYWEKSA-N 450.897 5.921 50 40 JKGB N#C/C(=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc(Br)cc1 408759268 AWEMXTOABZPDSY-ATVHPVEESA-N 492.285 5.122 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)C(=O)NCc1ccc(Cl)cc1 408800351 OIBQYYASOIGIRG-XDHOZWIPSA-N 480.351 5.234 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1cccc(F)c1 408810937 LOLFRUXWSVFEPU-MFOYZWKCSA-N 454.860 5.751 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cc1cc(C)cc(C)c1 408871901 ZEMNIQWJAUXZSI-WSDLNYQXSA-N 464.487 6.467 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1Cc1cccc(F)c1 408875204 HFKGZPPOAKCNSV-GIJQJNRQSA-N 469.343 6.586 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1C 408894498 IJICWMYFDWECFV-XQNSMLJCSA-N 450.513 6.720 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)c1 408895408 KGDGHZDDZOLZTI-UDWIEESQSA-N 495.804 6.844 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 408897726 ZNZLABJVXMEHRA-MHWRWJLKSA-N 471.727 6.412 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1ccc2ccccc2c1 409034748 OARSUDWGYLJQAS-ZXSNDDASSA-N 494.598 7.226 50 40 JKGB N#C/C(=C\c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 409063959 OEIRCKSRQCWNKM-RVDMUPIBSA-N 479.298 6.414 50 40 JKGB COc1ccc(N2C(S)=C(C#N)C(=O)N[C@H]2c2ccc(-c3ccc(Br)cc3)o2)cc1 703886 MPFJFPFZRXNROC-HXUWFJFHSA-N 482.359 5.018 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2cccc(Cl)c2Cl)nnc1-c1ccc(C(C)(C)C)cc1 1785936 MMEDBIYHCMZVDQ-LGJNPRDNSA-N 490.460 5.812 50 40 JKGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(CSc2ccc(Cl)cc2)c(C)cc1C 2111838 QZWSCWOMAAWXDI-HSZRJFAPSA-N 469.006 5.894 50 40 JKGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1c2ccccc2cc2ccccc12 6475256 GWAAZROQVQUAMH-FDAWAROLSA-N 455.517 5.611 50 40 JKGB O=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1 9259310 USVDJJMCPJUDDH-PGGKNCGUSA-N 490.195 6.574 50 40 JKGB Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@@H](c3c(Cl)cccc3Cl)CC(=O)N2C1 12251062 PYMRRUAIOQUMRJ-ZDUSSCGKSA-N 464.805 6.175 50 40 JKGB CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)cc1 13806344 KLNWZQSWBJEARZ-HEHNFIMWSA-N 478.552 5.008 50 40 JKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 16700639 GKHBXLDXLXEPNM-OHQZHEALSA-N 462.553 5.641 50 40 JKGB C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2C)c1cccc(OC(F)F)c1 22741281 WIZWFLMKTZELNI-VFLNYLIXSA-N 483.906 5.353 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)NCc2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 27827711 GZJXJQRLFRMSRS-FYJGNVAPSA-N 474.391 6.528 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(Cl)cc1Cl 33695079 UPUPJOVNRGEBMY-NHDPSOOVSA-N 495.362 7.282 50 40 JKGB CC(C)Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2OC(=O)c2ccco2)C(C#N)=C(N)O3)cc1 36618848 LQPRORZVTUBKPC-HSZRJFAPSA-N 480.524 5.306 50 40 JKGB O=C(COc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1)Nc1ccc(F)cc1 58882678 HYVHKSXTGFDGPB-DXJNIWACSA-N 481.527 5.125 50 40 JKGB CN(C)C(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 59334938 CNSCMMFBXOORIN-AUWJEWJLSA-N 454.151 5.330 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)ccc1OCc1cccc(Cl)c1 59473234 SZFWJYSZWISCMX-WKULSOCRSA-N 497.060 6.318 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cn(Cc2ccccc2C#N)c2ccccc12 100392624 WPMCMJMNBHMRHI-KSEXSDGBSA-N 452.521 5.570 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1 107539826 ZYFSIKGTPCJOFI-IPPBACCNSA-N 496.394 6.086 50 40 JKGB Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)cc1 205119682 WDPFUBYAJPERFZ-UHFFFAOYSA-N 498.391 5.844 50 40 JKGB CCCCc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408554705 TVMMOKYJYPATDF-MWLSYYOVSA-N 498.410 6.117 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(OCC)c1OCc1ccc(C)cc1 408567340 CYRGEUNULOZRQR-UCQKPKSFSA-N 467.544 6.781 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1OC 408579170 DAHQUWIWWVTXHI-VXLYETTFSA-N 498.348 6.257 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 408579619 ISDXMUAJIKQKNK-WOJGMQOQSA-N 474.365 6.142 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccc(Cl)c(Cl)c4)c3)CC2=O)cc1 408601215 AMQQQGZWNRNRCL-GOSISDBHSA-N 484.383 5.377 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1Cl 408735469 SJLPGSIETPWJAU-KGENOOAVSA-N 497.938 6.835 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])c1 408742087 PCDDVPPKCOPXCT-UDWIEESQSA-N 473.485 5.127 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)c(Br)c2)c1 408743316 FRNUYRLIOISUNH-GRSHGNNSSA-N 491.341 5.611 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 408745053 PBRFUVZEPHJKAK-UNOMPAQXSA-N 497.378 6.525 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)c(C)c1 408746481 DORLZJRQTIRHOM-MOSHPQCFSA-N 492.373 5.497 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1c(Cl)cccc1Cl 408767586 MVIKXTOZHICAKW-UYRXBGFRSA-N 481.379 6.825 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 408775623 JGDTVJAGBGXMKS-QNGOZBTKSA-N 460.965 5.130 50 40 JKGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2O)cc1 408781410 CJOXSUMWJZDMOO-ZROIWOOFSA-N 493.199 5.309 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12 408810968 QHCRMZJHJPJJOR-CJLVFECKSA-N 497.392 7.035 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)c(OCc2ccc(Cl)cc2Cl)c(C)c1 408843408 FJJAFZUCAMVQKS-KEBDBYFISA-N 499.825 7.697 50 40 JKGB C=CCc1cc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)cc(OCC)c1O 408855641 FJEZWOSJJLCTAN-YSURURNPSA-N 457.741 5.009 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OCc1cccc(Cl)c1 408865262 CKTQKBTVLPNWJL-VULFUBBASA-N 487.781 5.844 50 40 JKGB N#C/C(=C\c1c(Cc2ccccc2Br)ccc2ccccc12)C(=O)Nc1ccc(O)cc1 408874551 BOYBNCZKBBTDTP-LTGZKZEYSA-N 483.365 6.444 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1cccc(Cl)c1Cl 408904317 HVNTVKXRVUBCAE-GATIEOLUSA-N 471.300 5.819 50 40 JKGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(Cl)c(Cl)c2)c(Br)c1 408921296 AHEOSEGHUXGNMX-IZZDOVSWSA-N 488.994 6.373 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)c1nc2ccccc2[nH]1 409000926 ZAPDCOKSSUTKTC-AQTBWJFISA-N 477.305 5.811 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1 409024941 ZTPWVGRXTKJGQS-DHRITJCHSA-N 453.976 5.630 50 40 JKGB O=C(N/N=C\c1ccc(OCc2cccc(F)c2)cc1)c1cc(-c2ccccc2)nc2ccccc12 409032264 BYFMZDDVNFHUFQ-MZFJOGFUSA-N 475.523 6.384 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(F)c1 409214861 VBBAVCRYIVHNGB-KKMKTNMSSA-N 493.387 5.963 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2F)c(Br)c1)c1ccccc1 409240932 VNKDQBLCBAVSPX-WBRURWICSA-N 479.349 5.952 50 40 JKGB CC[C@H](C)Oc1c(Br)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC 409244952 LEUWXARXKSZVIP-BDLQZBCKSA-N 457.368 5.419 50 40 JKGB N#C/C(=C\c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12)c1cccc2ccccc12 409309711 LMDWTCWHKFPUFW-HMMYKYKNSA-N 453.372 8.214 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1OCC 409328100 ZCCIWLJJCCZSLZ-RHANQZHGSA-N 480.536 5.365 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1OC 409330931 CUESVMIFLNLGTR-DXJNIWACSA-N 496.563 5.765 50 40 JKGB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1 2277493 XNVBSJDAFTVZLN-DEDYPNTBSA-N 462.546 6.400 50 40 JKGB Cc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N=C(O)[C@H]1C#N 2293854 YZGIBELLBWJFLI-PXNSSMCTSA-N 481.375 5.058 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)cc1 2437155 MJXGEXUVTITIJO-SAPNQHFASA-N 486.915 5.003 50 40 JKGB COc1ccc(-c2nnc(SCC(=O)NN(c3ccccc3)c3ccccc3)n2CC(C)C)cc1 3222337 LYRNSYNXYDWMBZ-UHFFFAOYSA-N 487.629 5.571 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)cc1 14152023 MZPJNLIBYXSNKM-KGENOOAVSA-N 453.567 5.932 50 40 JKGB CN1/C(=C\C=N\NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)C(C)(C)c2ccccc21 15981051 ZAECHMXFBNWFJU-QILYSCSISA-N 461.569 5.566 50 40 JKGB O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc(Br)cc1 33618470 FYMMDFPOEDZULB-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB COc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)c1 33826382 ZYAUVZHLDAJQPT-MZOFLMDJSA-N 469.566 5.069 50 40 JKGB C[C@H](CN(CCCl)CCCl)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118931086 DHZBGBCMBFYMHO-XSLNCIIRSA-N 456.542 6.342 50 40 JKGB CC(C)[Si](OC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)(C(C)C)C(C)C 195826898 MCSRTMAXJYKTHU-OLEFNNLGSA-N 486.857 8.963 50 40 JKGB in-vitro COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408541832 HYJDADOFNHAIFQ-GRSHGNNSSA-N 464.861 5.598 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCC(=O)Nc1ccccc1 408581636 YDOJPMWDQDAADG-CXUHLZMHSA-N 487.770 6.737 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OCc3ccc(F)cc3)cc2)c1C 408742954 CWRZPXDQMQHLCM-UQQQWYQISA-N 479.555 6.666 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1C 408757039 WARRGXLLHOKHPJ-WQRHYEAKSA-N 479.334 5.619 50 40 JKGB Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)[nH]c2cc1C 408777063 VBXQRPKFOQWATO-KQWNVCNZSA-N 451.574 5.488 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1F 408788718 FNDJOAZIEZERDW-RQZCQDPDSA-N 481.867 5.521 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408794136 HOOKTOTXLMWDJU-XMHGGMMESA-N 489.358 7.378 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(OCc2ccc(Cl)c(Cl)c2)c1 408803486 PPEMNWBWSOQWBK-UDWIEESQSA-N 481.379 6.744 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OC 408825261 AZHGOMDHGODLBO-XSFVSMFZSA-N 462.933 5.872 50 40 JKGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OCC 408829114 XCJLGISUEVPUCH-JJIBRWJFSA-N 466.537 5.530 50 40 JKGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 408829421 JOGIQGYWZRCDHT-CNVWFTDCSA-N 473.598 5.012 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1Cl 408884446 XEMRYZLIDIYAAT-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB Cc1cc(C)cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1 408885635 DETNWNDSXGKWCF-YDZHTSKRSA-N 489.413 6.807 50 40 JKGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1c(Cl)cccc1Cl 408887049 LOXGUYFXENGTSL-UKTHLTGXSA-N 452.135 5.866 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)c1 409044159 BCGBPOVHKQKPBK-LDADJPATSA-N 480.351 5.865 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccccc1 409068471 ARWKUCGGDPMYJT-HYARGMPZSA-N 469.497 5.457 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409076279 AFNBQGIOWQGZQF-GZTJUZNOSA-N 497.429 6.269 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)c1ccccc1 409224604 IKCIEWDUVVJYRE-NBZOHKLQSA-N 495.362 6.055 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409261128 AFTUDBQLCKXRNE-UDWIEESQSA-N 491.931 6.037 50 40 JKGB CCOc1cc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(Cl)cc1Cl 409373563 XMMICFROZSDEJP-OAQYLSRUSA-N 474.388 6.149 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccc4ccccc4c3)c2[C@H]1c1ccc(F)c(Br)c1 622664 NNWYEALMKSDQPS-IBGZPJMESA-N 461.294 5.350 50 40 JKGB Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1CSc1ccc(Cl)cc1 651100 ZVWUZHABAZNURC-HSZRJFAPSA-N 450.991 6.064 50 40 JKGB Cc1cc(COc2ccc(Cl)cc2C)c(C)c([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1 2748017 OKWREAJIIDAMJZ-YIXXDRMTSA-N 483.015 6.438 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c(C)n1-c1ccccc1Cl 3180337 MULMJAOZJSUIGH-BRJLIKDPSA-N 459.775 5.072 50 40 JKGB Cc1ccccc1N[C@H](C)C(=O)NN=Cc1ccccc1OCc1cccc(Br)c1 8399252 GLMVTVQTPRBKPQ-GOSISDBHSA-N 466.379 5.287 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCc1ccc(Cl)cc1Cl 10039255 GOHDRTSVSFHBDY-MZJWZYIUSA-N 473.356 5.744 50 40 JKGB N#C/C(=C\c1ccc(Cl)cc1)c1nc(-c2ccc(-c3ccc(Cl)cc3Cl)o2)cs1 12957250 FDXNRDDSWJBSSU-NTEUORMPSA-N 457.769 8.094 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 32138936 DJFGEPXZCSCRSQ-QQXSKIMKSA-N 470.441 5.141 50 40 JKGB CCOc1ccccc1/C=N\NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1 32576863 LKUCGRWVESVLDE-DICXZTSXSA-N 479.005 5.379 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc(Br)cc1 33579360 KWBTXNNECLQYJU-UNOMPAQXSA-N 474.358 6.286 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 33652594 BPULDLHMLSMNGT-NDENLUEZSA-N 468.355 7.513 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Br)cs3)o2)cc1 33731463 HYDFJXNOJJKRTG-ROTLSHHCSA-N 498.402 5.854 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59248153 ZNFFHDRCRBLQIU-KIBLKLHPSA-N 464.736 5.516 50 40 JKGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 59473285 JBPIJMIGBRFOCQ-HRJIBFCWSA-N 475.013 6.703 50 40 JKGB CCc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12 100617704 VHFIEOFLBKFXKR-UHFFFAOYSA-N 466.564 7.981 50 40 JKGB CC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103527814 QPJJVQFWPGRKKQ-SCSAIBSYSA-N 452.045 5.694 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 105326988 DMDWDLSWRHZLHB-RGEXLXHISA-N 475.416 7.287 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1 107590058 QHCTYSMXHXWIAQ-ZDLGFXPLSA-N 453.267 6.140 50 40 JKGB Cc1ccc2[nH]c(/C(C#N)=C\c3cc(Cl)c(OCc4ccccc4)c(Br)c3)nc2c1 108157417 PQCNTUKODPABSB-ZDLGFXPLSA-N 478.777 6.930 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl 110225542 BTOZFRMEJWUWIO-QGOAFFKASA-N 461.389 6.984 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC 110339260 TVNYPTJSKMFLFO-PXLXIMEGSA-N 454.998 6.311 50 40 JKGB CCCCCCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 408538109 JDSKLIRGUXEFOP-CJLVFECKSA-N 483.450 7.351 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Br)c1)c1ccc(Br)cc1 408579604 IMEHROPNTUPBLH-VCHYOVAHSA-N 487.166 6.994 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 408579647 JACIDYDFDTVLIJ-LDADJPATSA-N 497.776 6.193 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)c1ccc(Cl)cc1Cl 408579935 LPIAHYDENXITBX-NTEUORMPSA-N 499.202 7.132 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1cccc(F)c1 408580494 PTXCAQMOQUZFTB-CAOOACKPSA-N 476.762 7.828 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccc(Cl)c(Cl)c4)c3)CC2=O)cc1 408601218 AMQQQGZWNRNRCL-SFHVURJKSA-N 484.383 5.377 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)CC2=O)cc1C 408612233 XZNJUBKECIJOTR-IBGZPJMESA-N 498.410 5.685 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1cccc(C)c1 408790647 QJVZOCLSTLCRMM-SRZZPIQSSA-N 495.406 7.134 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc(C)c(C)c1 408806551 FGPCBZPYKUPIPV-LPYMAVHISA-N 460.961 6.480 50 40 JKGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(C)cc2)cc1 408823886 GTSTVMZORIZEME-DEDYPNTBSA-N 477.358 5.891 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2cc(C)ccc2C)cc1 408874195 ZHMCRHWRYBYPBU-UHFFFAOYSA-N 455.624 5.024 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 408888702 ZHRFRUKCIAHUMO-HZHRSRAPSA-N 493.519 6.190 50 40 JKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(Sc3cccc4cccnc34)c([N+](=O)[O-])c2)c1 408992880 UAGHHZYFDNFJSH-KGENOOAVSA-N 480.549 6.457 50 40 JKGB C/C(=N\NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(I)cc1 409131712 JQQMRJYTJZDSJU-SRZZPIQSSA-N 493.197 5.372 50 40 JKGB N#C/C(=C\c1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)o1)C(=O)Nc1cccnc1 409275812 LQINRVHZLAHOCN-LFIBNONCSA-N 493.470 5.847 50 40 JKGB Cc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 1887963 SJXCSUOVXKLHCW-FYAMCCBRSA-N 453.567 5.368 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c([N+](=O)[O-])cc1OCc1ccccc1 2159578 AJTBGQXVMANOHW-MUFRIFMGSA-N 495.491 5.846 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/c1cccc(O)c1 2206119 AWDQLJUUPPAUMX-LGJNPRDNSA-N 498.395 5.189 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3c(s2)CC[C@@H](C)C3)ccc1OC(=O)c1ccccc1F 3424915 PEKRRHZBMQNKLH-PJAVDKHJSA-N 466.534 5.004 50 40 JKGB N#C/C(=C\Nc1ccc(Oc2ccccc2)cc1)c1nc(-c2ccc(Br)cc2)cs1 9445053 LOZSPMZCAYUGEK-OBGWFSINSA-N 474.383 7.341 50 40 JKGB COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 12465634 CGVDJDXSHPSUDJ-NKZWWHGNSA-N 473.356 5.499 50 40 JKGB CCn1c(SCC(=O)N/N=C(\C)c2ccc(Cl)cc2Cl)nnc1-c1ccc(C)cc1 12466355 YOYWDXTTWPNFEJ-ZVHZXABRSA-N 462.406 5.213 50 40 JKGB CCOc1ccccc1-c1cc(C(=O)N/N=C(\CC)c2cc(O)ccc2O)c2ccccc2n1 13321425 MWFZIDOQWGDJKX-QUPMIFSKSA-N 455.514 5.256 50 40 JKGB CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)sc2c1CCCC2 13658352 KQDPDNDXPXGFMR-OBGWFSINSA-N 485.634 7.057 50 40 JKGB C[C@@H]1C[C@H]2C(=CCCC2(C)C)C[C@@H]1/C=N/NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 15134586 VBYMCZWEOZFNSW-QGMWXIPASA-N 471.645 5.445 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)c2ccccc2)=C(C#N)[C@@H]1c1ccco1 20348192 STUQYYGOERVWIF-HSZRJFAPSA-N 470.550 5.292 50 40 JKGB CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 27021201 LKQBWVCERFTKAQ-CJLVFECKSA-N 482.971 5.815 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(OC)c1OC(C)=O 31906021 AYYPWRLMDWELJC-UUASQNMZSA-N 475.353 6.124 50 40 JKGB Cc1ccc(Sc2ccc(/C=N\NC(=O)c3ccc(Br)cc3)cc2[N+](=O)[O-])cc1 32125043 MNOZYYNQNPCCPT-QRVIBDJDSA-N 470.348 5.581 50 40 JKGB COc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)cc1 33538305 YZWKCTZVEYVZMG-MZOFLMDJSA-N 469.566 5.069 50 40 JKGB O=C(CBr)CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 40227636 CKHARRSHAHDLRR-UHFFFAOYSA-N 468.394 7.483 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 59255335 AKJPLBNVQIZHEU-RCCKNPSSSA-N 461.359 6.136 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(OCc2ccccc2)c(Br)c1 100195115 WSVJVGAZIKFDFN-GRSHGNNSSA-N 483.369 6.037 50 40 JKGB CC(C)CCN1C(=O)/C(=N\NC(=O)c2cc(-c3cccs3)nc3ccccc23)c2ccccc21 102051448 NWXWMMOLTLXUFI-GNVQSUKOSA-N 468.582 5.490 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3)N=C3CC(C)(C)CC(O)=C32)cc1 102536182 GRTBWQFMZHPOLS-QHCPKHFHSA-N 465.018 7.187 50 40 JKGB Cc1ccc2[nH]c(/C(C#N)=C\c3cc(Br)ccc3OCc3cccc([N+](=O)[O-])c3)nc2c1 107745283 SFNVIHPWWAUMIT-WQRHYEAKSA-N 489.329 6.185 50 40 JKGB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OO[S@](=O)c5ccc(C)cc5)CC[C@]4(C)[C@H]3CC[C@]12C 118925924 OHAPMUUAMJFVSA-DSAHYRNISA-N 470.675 6.502 50 40 JKGB CC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccccc1)N2 229974306 BGFCFSUMQMMXNS-MZGZKICPSA-N 479.001 6.836 50 40 JKGB CC[C@H](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4C[C@@H](Br)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 252694396 KBSDBYDTKXUZDW-FYNIESJSSA-N 493.614 8.686 50 40 JKGB biogenic CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)c(C#N)c1C 408547440 WXFXBOPAJVVTLQ-UDWIEESQSA-N 488.540 5.542 50 40 JKGB COc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)c2C)c1 408555906 ZUFLDAXDCFADNC-UNOMPAQXSA-N 456.571 5.460 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccccc1Cl 408570307 TZIBGGFGBBMWKW-PXNMLYILSA-N 468.315 6.661 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1ccc(N2CCCC2)cc1 408675840 BPLXYOXQHQOXBU-LQKURTRISA-N 496.380 5.531 50 40 JKGB O=C(N/N=C/c1cccc(Br)c1)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 408723991 BUQYERLLROZZCO-RDRPBHBLSA-N 495.380 6.219 50 40 JKGB COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3C)n2)c1 408724522 LJUMMWHTSSNNIY-ZCTHSVRISA-N 490.563 5.782 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1sc2c(c1C#N)CCCC2 408734423 GIAROMPANBAISS-WOJGMQOQSA-N 460.990 6.105 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccccc1F 408745612 UFAYEHRDXXFXCR-ODLFYWEKSA-N 450.897 5.921 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 408818723 OPYMNALHBAXESI-KQWNVCNZSA-N 483.518 6.497 50 40 JKGB Cc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)cc1 408841904 IPCQGUJVPLOIKW-UVHMKAGCSA-N 482.392 6.533 50 40 JKGB O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cc2cc(Br)ccc2o1 408851264 ATDZNJJPPPNTLE-RMORIDSASA-N 488.681 5.781 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Cl)cc1)C(=O)Nc1ccc(Br)cc1 408867811 NYORDCHQTCTSDO-XMHGGMMESA-N 451.751 6.239 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(OC)c1 408871418 ZBGSSRQLLLADRD-VXLYETTFSA-N 484.383 5.642 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Cl)c(Cl)c1 408881262 IRDUKIKYFJLOKL-YBFXNURJSA-N 455.772 7.092 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1ccccc1C(=O)O 408887940 VCYIURCOULYQNV-HMMYKYKNSA-N 462.461 5.303 50 40 JKGB N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(C(F)(F)F)c1 408965262 VCRZRHVBZKRHER-KPGMTVGESA-N 473.454 6.073 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)c1 409040115 FPPMJHMYWGRXLC-VCHYOVAHSA-N 455.316 6.566 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1)C(=O)NCc1ccccc1 409056552 MSHGWQAAROJBOR-VXLYETTFSA-N 455.316 5.935 50 40 JKGB CN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccccc3Cl)c(Cl)c2)C2=C1CCCC2=O 409127411 COMDPDFXNDWMQR-QFIPXVFZSA-N 454.357 5.302 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(C)cc1 409138276 ZKBRVQKWHHNKBH-JOCHJYFZSA-N 495.373 5.160 50 40 JKGB O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc(Cl)cc1Cl 409176472 OJIDCLBKWQKODB-KBKYJPHKSA-N 468.167 6.643 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 409229401 OMQLQWYQYFRIHJ-UQEONJGVSA-N 496.994 6.865 50 40 JKGB Cc1cccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1C 409262877 KKRLQYPYIARPGT-HAHDFKILSA-N 453.542 5.483 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Cl)cc1C 409271804 NGOCMDAWTZSEQH-WKIKZPBSSA-N 470.356 5.392 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(Cl)c2)cc1OCC 409314551 RYOOACSUHBYKAA-MBTHVWNTSA-N 470.928 5.619 50 40 JKGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)cc1 409376012 SDRSLHLFKJAHBR-SFQUDFHCSA-N 479.895 5.051 50 40 JKGB O=C(N/N=C/c1c(F)c(F)c(F)c(F)c1F)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3232691 YXQNBJGNTXGGRY-WXMAUWIXSA-N 475.804 6.015 50 40 JKGB O=C(O)c1cccc2c1N[C@@H](c1ccccc1F)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21 6445678 PTUQDKITXDSGSS-VLDBVROHSA-N 498.963 6.471 50 40 JKGB O=C(N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1cccc([N+](=O)[O-])c1 8722711 HGZAMDMMYUCXIF-ZRGSRPPYSA-N 467.312 5.669 50 40 JKGB O=C(CCCCCCCCC(=O)NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1 8756585 DJCQEMKSGIGGQZ-UHFFFAOYSA-N 475.420 5.715 50 40 JKGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 8857118 YJBAESDKDQUBLQ-FOKLQQMPSA-N 456.980 5.344 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)c(C)n1-c1ccc(F)cc1 9261895 OPGOEAFKGRNQFV-NSKAYECMSA-N 468.743 5.723 50 40 JKGB COc1ccc2nc(/C(C#N)=C/c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)[nH]c2c1 9263528 ZTJFDUBFNYMCLI-FRKPEAEDSA-N 495.322 6.430 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1)c1ccc(Br)cc1 9375256 HLXYPSCCZUQALD-YVNNLAQVSA-N 452.139 5.300 50 40 JKGB COc1ccc(OC)c2sc(NNC(=O)c3cc(-c4cccs4)nc4ccccc34)nc12 9381913 GDPMGRPOUFJBAV-UHFFFAOYSA-N 462.556 5.347 50 40 JKGB COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)N/N=C/c1ccccc1C(F)(F)F 13465136 DVFJAQPGUCRGAT-XODNFHPESA-N 475.854 5.384 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 14151957 VGAWSNWEYPNLHA-CPNJWEJPSA-N 457.530 5.762 50 40 JKGB N#C/C(=C/c1cc(Cl)ccc1OCC(=O)Nc1ccccc1F)C(=O)Nc1cccc(Cl)c1 34794314 DOCVNAVKWMYDJF-YBEGLDIGSA-N 484.314 5.696 50 40 JKGB N#C/C(=C(\Cc1ccc(F)cc1)NP(=O)(c1ccccc1)c1ccccc1)c1ccc(F)cc1 104095944 WPFKLANJAXZSDR-DQSJHHFOSA-N 470.459 5.961 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1Br 408529441 JQALFEXCKYWJEA-KVSWJAHQSA-N 493.327 5.438 50 40 JKGB Cc1c(/C=C(/C#N)c2ccc3ccccc3c2)c2ccccc2n1Cc1ccc(Br)cc1 408549706 XKBRUKMXXJXUMO-UQQQWYQISA-N 477.405 7.978 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(Cl)c(Cl)c1 408587835 UZNYUVMMRDWWRH-MFOYZWKCSA-N 493.615 8.052 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc(Cl)c1 408608993 ITKUXKORBFTMGC-RPPGKUMJSA-N 476.747 5.315 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(Br)c2)cc1Cl 408735068 NNMCEBNCZDCGDM-NYYWCZLTSA-N 470.548 5.425 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1 408746845 WPQADXVIGZRJQL-BOPFTXTBSA-N 485.740 6.366 50 40 JKGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCCCCCCC1)c1cccc(C(F)(F)F)c1 408786086 LTBCSTZSJSDOTD-UHFFFAOYSA-N 475.577 5.248 50 40 JKGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OCC 408788858 GAZIMCPYDMKSKV-WOJGMQOQSA-N 453.336 5.022 50 40 JKGB CC(C)(C)c1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 408847919 VWIGMAQDHRCYIH-UVHMKAGCSA-N 460.525 5.896 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(C)c(C)c2)c(OC)c1 408873888 WSOVPKHMEYYVTL-YDZHTSKRSA-N 474.988 6.653 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)c1 408880333 HKIXZLVGCHCPKV-XQNSMLJCSA-N 466.968 7.235 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2cccc(F)c2)c(OC)c1 408883391 RADBLVFOFZSJDF-RGVLZGJSSA-N 464.924 6.175 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1c(Cl)cccc1Cl 408892080 ATYXDXROTBIMMP-UVHMKAGCSA-N 473.356 5.662 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2C)c1C)c1ccccc1 408976696 BVQCLXWCSOIYFI-QQNPRBCQSA-N 460.578 5.039 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1 408980315 QMXYJBOWRZSEII-QVKATGLSSA-N 495.579 5.746 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1cccc(F)c1 408983670 NIFGDVPGAKTRLB-VXLYETTFSA-N 499.369 6.964 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccccc2)o1)c1ccc(Br)cc1 408999149 SRKVWSBZKBXOPD-UVTDQMKNSA-N 461.178 7.020 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1 409045783 HORXHULUPKULGU-LICLKQGHSA-N 457.744 6.771 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccco2)cc(Br)c1OCc1ccc(Cl)cc1 409049626 ZJAFXYVWRXOZFY-WYMPLXKRSA-N 477.742 5.437 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2)c(C)c1 409268524 VAFKSFJMMRPXMK-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB CCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1Cl 409320858 FPWPAMDJYBIZEW-MBTHVWNTSA-N 487.383 6.134 50 40 JKGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3c[nH]c4ccccc34)nnc2-c2ccccc2)cc1 1253373 WUKZUXQQBCAJDS-STBIYBPSSA-N 496.596 5.057 50 40 JKGB Cc1ccccc1[C@H]1C=C(c2ccccc2)OC(c2ccccc2)=C1/C=N/NC(=O)c1ccncc1 1825857 HQLHBCAZDGSTJO-CFHCZDQCSA-N 471.560 6.372 50 40 JKGB CC[C@H](Oc1cccc(Br)c1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1 2771660 OYCKMOQQMIJJHC-LWROZRRASA-N 453.336 5.549 50 40 JKGB O=C(N/N=C(/C=C/c1ccccc1)c1ccccc1)c1ccccc1I 3068072 GARBGKSPQIOPAE-CZEXQWEWSA-N 452.295 5.139 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(SC(F)F)cc2)o1)C(=O)Nc1nc(-c2cccs2)cs1 3207672 NTRLABORLLEZRT-GXDHUFHOSA-N 485.562 6.992 50 40 JKGB CC(C)N1C(=O)/C(=N\NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c2ccccc21 3349958 RHBACOCBJVGXER-NFFVHWSESA-N 486.622 5.478 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 8812372 PEOOHQCZNAKPKC-LUOAPIJWSA-N 481.738 6.137 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c(C)n1-c1cccc(C(=O)OC(C)C)c1 9204041 GTXODBWYMRMRGE-JFLMPSFJSA-N 496.405 5.115 50 40 JKGB COc1cc(C)c(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1C(C)C 9296410 XCMGWTFSVVFPQK-KVSWJAHQSA-N 490.551 6.039 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1I 9323032 IKZCNABUYUPDNV-KPKJPENVSA-N 487.124 5.542 50 40 JKGB C/C(=N\NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)c1ccc(Br)cc1 12362327 FIZFYNUITJPVEN-YZSQISJMSA-N 459.428 6.082 50 40 JKGB O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCCCCCC1 19952809 DWESACBQXVSXTN-UHFFFAOYSA-N 470.639 5.054 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 20065023 XBQSMKCRZMTJIL-QHCPKHFHSA-N 497.979 5.276 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2F)c(C)c1 59201834 DIDPFPKZFWTESW-UDWIEESQSA-N 479.349 6.330 50 40 JKGB COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(/C=N/NC(=O)c2ccccc2Cl)c1 59417190 AFGOTFNIUYKHHA-KKMKTNMSSA-N 493.825 5.832 50 40 JKGB CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)Cc4ccccc4)cc3[N+](=O)[O-])sc2c1 59459215 WLTJBIUQHWUBJX-MFKUBSTISA-N 492.582 5.447 50 40 JKGB O=C(Oc1ccccc1/C=N/NC(=O)c1cccc2ccccc12)c1sc2ccccc2c1Cl 59500726 XPVYEFKQCZYVQD-MUFRIFMGSA-N 484.964 6.691 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1ccccc1Cl 59534321 BHROVBWISPIPRQ-XDHOZWIPSA-N 452.963 5.603 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 59922120 PBUSROQDGPDPGT-MZJWZYIUSA-N 472.969 5.699 50 40 JKGB N#CC1=C(SCC(=O)Nc2cc(Cl)ccc2Cl)N=C2CCCC(O)=C2[C@@H]1c1ccco1 102604759 LTVGHLXATZRDEU-FQEVSTJZSA-N 474.369 6.228 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1ccc2ccccc2c1 408553471 ZISJOWQYUOVICM-ITYLOYPMSA-N 490.400 8.399 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc(Cl)c(Cl)c1 408586060 KTOOBGOMFIYDDZ-GHXNOFRVSA-N 464.102 6.988 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)c3cccc(Cl)c3)c2C)sc2c1CCCC2 408741281 HZYFABBBIXKXRI-DEDYPNTBSA-N 465.018 6.929 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(C)c(C)c1 408803511 PVRBFPZAHLANDK-SRZZPIQSSA-N 495.406 7.134 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)c1 408818316 XLWSSTAKOYSPBZ-CJLVFECKSA-N 452.941 6.926 50 40 JKGB CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1 408828285 DIYMVDCHLNFVGA-RCCKNPSSSA-N 491.385 6.361 50 40 JKGB C/C(=N\NC(=O)CSC1c2ccccc2-c2ccccc21)c1cccc(NC(=O)c2ccccc2)c1 408838252 UABWRYUKDQRHRQ-UZWMFBFFSA-N 491.616 6.282 50 40 JKGB N#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Cl 408858604 QTTPPPVNZYSWHJ-AQHIEDMUSA-N 467.106 5.168 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1c(Cl)cccc1Cl 408880048 INKNRHTWIJXUSU-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1cc(C)cc(C)c1 408887374 QGBGWBLWMSWXDX-CIAFOILYSA-N 495.406 7.134 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc([N+](=O)[O-])cc1 409228930 HHQIBIRMYHADAD-GZTJUZNOSA-N 454.408 5.567 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1 409229245 MAOVTPRZZQBXHQ-JVMBGAFUSA-N 475.386 6.121 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1 409250219 LUPAITJTESEWIW-WKIKZPBSSA-N 470.356 5.392 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)c(C)c1 409257295 PVFKYNNUNYYJLZ-XDHOZWIPSA-N 494.378 6.173 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409268673 XJVGZLPPNBRLNB-MBTHVWNTSA-N 479.964 5.137 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)ccc1OC 409321293 FIUZJXRJYYDBJE-VYYCAZPPSA-N 456.901 5.229 50 40 JKGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)nnc2-c2ccccc2)cc1 1819642 OWPXVXWNQVLQIB-RDRPBHBLSA-N 499.640 5.699 50 40 JKGB Cc1ccc(C(=O)NN(C(=O)Nc2ccc(Cl)cc2)c2nc(-c3ccc(F)cc3)cs2)cc1 3768092 HARLGHNBPJFMDE-UHFFFAOYSA-N 480.952 6.295 50 40 JKGB O=C(CCl)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(Br)cc1 9066762 CXRHMHAKZPJNKS-MRXNPFEDSA-N 456.565 5.128 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1ccccc1Cl 9291363 CPMACACLOSCOIJ-JOCHJYFZSA-N 454.917 5.527 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)s2)cc1)c1nc2ccccc2s1 9368913 BCRQKHAIWHFQCP-SDNWHVSQSA-N 467.369 6.404 50 40 JKGB O=C(Nc1ncc(Cc2cccc3ccccc23)s1)[C@@H](Br)Cc1ccccc1 11692852 RNULFTCDZISUPN-NRFANRHFSA-N 451.389 5.832 50 40 JKGB Cc1ccccc1N1CSC2=C(C#N)[C@H](c3cccc(OCc4ccccc4)c3)CC(=O)N2C1 12251013 BNNWPHDTNDHHBX-DEOSSOPVSA-N 467.594 5.794 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2cccs2)C2=C(CCCC2=O)N1 13174454 DCUGFFJJGCCXFT-OAQYLSRUSA-N 470.019 5.511 50 40 JKGB N#CC(C#N)=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2ccc(/C=C/c3ccccc3)cc2)C1=O 13573781 XIMUUFFTNKIFJJ-ZEWVGQQJSA-N 476.561 5.593 50 40 JKGB C#CCOc1cc(Br)c(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1OC 15009020 INIOHBVZULVKET-VULFUBBASA-N 477.314 5.133 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)SCc3ccccc3)c2C)cc1 20243839 ZPCFPQKOZVZJMC-YMSFFTPVSA-N 484.463 5.937 50 40 JKGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c1 28213689 IQAUIOOROQAPOP-CCVNUDIWSA-N 496.032 5.358 50 40 JKGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccc(Cl)cc1 30735396 ZJVZIKMECCIOHT-NKVSQWTQSA-N 469.444 5.380 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)Sc3nc4ccccc4s3)c2C)cc1Br 33416184 DKXKFZFLVKGVSJ-YBFXNURJSA-N 480.456 7.432 50 40 JKGB CCOc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl 33491500 NUUSBPULKPJISQ-MWLSYYOVSA-N 491.975 6.082 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)c1cccc([N+](=O)[O-])c1 33708859 CUYQBOHZMWNZQL-IUXPMGMMSA-N 487.712 6.793 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nnc2n1CCCCC2 34857528 JDVGUNBXMMVELI-ITYLOYPMSA-N 476.580 6.227 50 40 JKGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c1 34882189 GVFFWLGJKDLLCA-XODNFHPESA-N 479.367 5.719 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cccc([N+](=O)[O-])c1 35105071 RHAKOBRNTWEGGX-NVMNQCDNSA-N 480.274 5.909 50 40 JKGB CC/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc2c(c1)OCCO2 59473451 DLSVIINORDEURN-HPNDGRJYSA-N 466.990 5.948 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)N=C3CC(C)(C)CC(O)=C32)cc1 100708029 KNBHWFSMXPZOCA-DEOSSOPVSA-N 473.598 5.973 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccccc1Cl 107901018 QQXPBJBNAZBQCV-LGJNPRDNSA-N 495.944 5.814 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1F)C(=O)Nc1ccccc1Cl 108097442 XNZDXNRURZNRHM-LFIBNONCSA-N 484.314 5.696 50 40 JKGB CCN1c2cc(C)c(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2C(C)=CC1(C)C 208523802 JZZLPEUKSUGKOQ-AFUMVMLFSA-N 452.580 5.167 50 40 JKGB O=C(Cl)/C=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 226341035 KEKFDRFZBVDDLJ-ZZXKWVIFSA-N 464.968 6.223 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(I)cc2)c2ccccc12)c1cccc(C#N)c1 408569032 YEKQUSMGRLXVPY-FYJGNVAPSA-N 485.328 6.230 50 40 JKGB Cc1ccc(COc2c(Br)cc(Br)cc2/C=C(\C#N)c2ccc(C)cc2)cc1 408581353 WIJMVMGUZFOGRP-SRZZPIQSSA-N 497.230 7.472 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1OC 408581621 JRUAXLVGINMKRL-XDHOZWIPSA-N 469.946 5.498 50 40 JKGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1 408724934 NDYZCFHJSGFIOH-MTDXEUNCSA-N 461.481 5.365 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(-c2ccccc2)cc1 408744990 OOXWTHQXIYQRRE-JJIBRWJFSA-N 496.408 7.069 50 40 JKGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC 408788579 LIHPAWHDYWPHLC-OVCLIPMQSA-N 461.743 5.530 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccccc1F 408793530 PISLIEUHPICJOF-XDHOZWIPSA-N 495.348 6.112 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(C)c(C)c3)ccc3ccccc23)cc1 408798396 DXFHEXBUUFZSOY-KOEQRZSOSA-N 490.559 6.368 50 40 JKGB CCCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(C)cc2)cc1 408836671 UEJGUHRMRFVMEU-XQNSMLJCSA-N 456.542 5.917 50 40 JKGB Cc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(C)c1OCc1ccc(Br)cc1 408843884 BAAHDAQPKGRLPZ-FYJGNVAPSA-N 497.230 7.472 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1OCc1ccccc1C 408922788 GOJSZRDKLDJFPG-OEAKJJBVSA-N 482.967 6.935 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1cccc2ccccc12 409053074 JXCDCWPTVVIQFT-OCSSWDANSA-N 472.972 6.543 50 40 JKGB COc1cc2c(cc1/C=N/NC(=O)c1ccc(Nc3nc(-c4ccccc4)cs3)cc1)OCO2 409055597 ZWEHGKHSLAVATN-LGJNPRDNSA-N 472.526 5.055 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)c1 409068313 RVGKLSGKHWCIPS-QGOAFFKASA-N 497.370 5.071 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)NC1CCCC1 409192075 UKFOTQGKFSIPDG-STZFKDTASA-N 475.386 6.147 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccccc1Cl 409214223 RQBFMCNHMIUYPY-ZDLGFXPLSA-N 499.748 6.662 50 40 JKGB Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccccc2)cc1Cl 409251006 NUBCXFHNOFTTMI-ZMFRSBBQSA-N 456.329 5.083 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)cc2)ccc1OCc1ccccc1 409334397 LGBCIBYFOXQBBX-MZFJOGFUSA-N 498.554 6.146 50 40 JKGB Cc1ccc(C)c(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1 409360323 DUIGWEPRKLXVHN-IPPBACCNSA-N 464.396 6.306 50 40 JKGB N#CC1=C(N)OC2=C(CC/C2=C\c2cccc(Br)c2)[C@@H]1c1cccc(Br)c1 1445420 XSZWMKLFBBGEQK-ULXKQSRTSA-N 484.191 6.151 50 40 JKGB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1 8741226 GYLBADUBJACUSJ-AQTBWJFISA-N 479.989 5.857 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(I)cc3)n2)cc1 9353394 GUDBLVMUNVRZIK-SDNWHVSQSA-N 459.312 5.400 50 40 JKGB O=C(COC(=O)C1(c2ccccc2)CC1)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 12691018 UMKIPHZRUYESMC-OCSSWDANSA-N 466.459 5.348 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C(=O)N(CC)CC)c3ccccc3)c2C)cc1 13095853 QUWDYNZZKSGUJC-PDUUCECCSA-N 499.611 5.553 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/C=C\c3ccco3)n2-c2ccc(C)cc2)cc1 13940525 DNUAQFBYMGZULT-BCPLCYIZSA-N 457.559 5.052 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 14134327 XPXGZLNWKUMWNL-UVHMKAGCSA-N 477.775 6.388 50 40 JKGB CCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(SC)cc2)/C(=C/c2ccc(SC)cc2)C1 19816629 PVCDLYMFCPBXAU-MFGYPMPUSA-N 461.656 5.611 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl 28216510 JKSNXWZOJGGRJP-ZXGJNYTGSA-N 480.848 6.685 50 40 JKGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 34257501 LSULTPMAJBIVDX-GHXNOFRVSA-N 461.688 6.151 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccccc1Cl 34687507 ITWCXQYYOQYYFS-JFLMPSFJSA-N 465.937 5.040 50 40 JKGB C/C(=N/NC(=O)c1ccc(N/N=C(/C)c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1 96399218 BZNINBMFAOBGFK-PVZQIEDDSA-N 470.576 6.983 50 40 JKGB N#C/C(=C\Nc1ccc(Cl)cc1Cl)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 100480669 OBHGMEWINXUSMQ-FMIVXFBMSA-N 485.308 6.108 50 40 JKGB CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(O)CCCC3=N2)cc1 102593653 XCRYMDCHDPEZNF-QFIPXVFZSA-N 477.542 5.098 50 40 JKGB CCn1c(C)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1C 108139824 FZBWRAMJOZPQLU-NTFVMDSBSA-N 458.562 5.468 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1F 209483453 BKBOMHJHQPMJKH-RGVLZGJSSA-N 452.323 6.548 50 40 JKGB Cc1cc2c(cc1/C=N\NC(=O)COc1cccc3ccccc13)[C@H](C)CC(C)(C)N2C(C)C 223596079 BDZPDTAHAYOCHT-KRTSHMNHSA-N 457.618 6.178 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408569630 OWBYQWSDLWEOMD-PXNMLYILSA-N 478.867 5.915 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccc(Cl)c(Cl)c4)c3)CC2=O)cc1C 408611189 VJFJGMLRZACSID-LJQANCHMSA-N 498.410 5.685 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(OCc2ccccc2)cc1 408677782 UVEMTKGTPDEJTH-RUMWWMSVSA-N 492.623 6.037 50 40 JKGB COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3cccc(C)c3)n2)cc1 408724063 DJUBBVQFKSJTSE-ZCTHSVRISA-N 488.547 5.551 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c1 408745642 OADACDZQCSAHJY-WQRHYEAKSA-N 454.357 6.345 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1ccc(O)cc1 408789397 PSOZQPFWNZLCPN-KGENOOAVSA-N 454.913 6.323 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 408798047 ULNXYHBJXOCZMT-CAOOACKPSA-N 471.315 6.266 50 40 JKGB COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)c1 408843910 BFDBFRYCFRWSEY-GDNBJRDFSA-N 455.297 5.894 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(Br)c2)cc1 408865061 ALHMIRMWTIOLSS-UDWIEESQSA-N 493.332 5.511 50 40 JKGB Cc1ccc(Sc2oc(/C=N\NC(=O)COc3cccc4ccccc34)cc2Br)cc1 408915082 UMEQWDJDEVVOKS-WGARJPEWSA-N 495.398 6.184 50 40 JKGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2ccc(F)cc2)o1 408977689 FFXIWWSVWUJXSO-BULNNFJJSA-N 455.489 5.097 50 40 JKGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 408985828 NNKISGAREONDJP-OPEKNORGSA-N 484.785 5.230 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCC(=O)OCC 408989746 LWEFJQWMRSDXPV-DEDYPNTBSA-N 482.964 5.263 50 40 JKGB O=C(O)c1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(Cl)cc2)cc1 409193280 IGOCFDISCSFKEE-RWPZCVJISA-N 458.901 5.534 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1 409214179 WEJCCTNVCCMLTF-LGJNPRDNSA-N 475.397 5.823 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1OC 409303231 MMOVARXBWPKSRI-RHANQZHGSA-N 494.975 5.655 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Cl)c2)ccc1OC 409316269 LXDWSKFSUHJDEK-LQNQUEJISA-N 488.971 6.243 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1OC 409324860 VIZJXOPMEAMXLF-FDVSRXAVSA-N 498.938 5.404 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2)cc(Br)c1OCc1ccc(Br)cc1 409366401 UWSDVXRZRXLKCI-ODLFYWEKSA-N 499.202 6.863 50 40 JKGB CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)cc1 1241660 CBTWRBAKURZBLG-QJOMJCCJSA-N 480.568 5.781 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl 2078257 YEXWTFXTBOFFES-KKMKTNMSSA-N 493.774 5.764 50 40 JKGB N#Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)Cc2ccc(Br)cc2)cc1 9204819 YODMNVRJJSYKEM-OCSSWDANSA-N 498.380 5.746 50 40 JKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(I)cc3)n2)cc1 9404948 YXUYACWIIQODPI-NTCAYCPXSA-N 473.339 5.790 50 40 JKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(Br)c3)o2)cc1 10059265 XSUXASGKJJKOBH-MMDHUZEPSA-N 455.352 5.752 50 40 JKGB C/C(=N\NC(=O)c1c(O)ccc2ccccc12)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 13322009 FUPGEDDIBHJEQB-OCSSWDANSA-N 471.944 5.534 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 13595764 VSUUYYJJFMDCAM-VULFUBBASA-N 491.345 5.053 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2ccc(C)cc2Br)o1 18272138 LRLHIWXZFBNFDI-RQZCQDPDSA-N 457.331 6.026 50 40 JKGB N#CC1=C(N)OC2=C([C@@H]1c1cccc(Cl)c1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12 20558475 VIKBUGGOZLPSOF-JOCHJYFZSA-N 493.947 5.006 50 40 JKGB CCCc1n[nH]c2c1[C@H](c1cc(Cl)ccc1OCc1c(F)cccc1Cl)C(C#N)=C(N)O2 22709062 RJLRQPWKDJTOTQ-HXUWFJFHSA-N 473.335 5.605 50 40 JKGB COc1cc(-c2nnc(S/C(=C/C#N)c3ccc(F)cc3)n2C2CCCCC2)cc(OC)c1OC 96925403 SHHTZSDJYFXYGT-YDZHTSKRSA-N 494.592 6.272 50 40 JKGB Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)c(C)c1 101179204 UYBASLRNZQQCKP-AQTBWJFISA-N 491.598 5.501 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(O)CCCC3=N2)c1 104101176 MNZGCIKBVLYRRI-HSZRJFAPSA-N 463.990 6.290 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Br)cc1 107921249 IUJTZDAMANWMAK-NVMNQCDNSA-N 499.748 6.662 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Cl)c(Cl)c1 408862011 WHOZCADCZKJNNX-KIBLKLHPSA-N 455.172 6.472 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Cl)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408872834 JOIBRACNFGQXAG-LGUFXXKBSA-N 478.979 7.055 50 40 JKGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 408873114 NAPQKPVUAFZODR-SFPMXJBOSA-N 454.401 6.273 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1cccc2ccccc12 408880375 HNYHEVWPDDUPRT-PXLXIMEGSA-N 478.504 5.671 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1c[nH]c2ccc(OCc3ccccc3)cc12 408882136 NNCHVNUHVHLNIB-MZJWZYIUSA-N 472.595 5.599 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cc(C)cc(C)c1 408891216 NAJPPDGQCROSRG-WSDLNYQXSA-N 460.961 6.399 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 408924598 PLFZQMJWHXYZGH-OPEKNORGSA-N 495.204 5.936 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408965443 HLWWAJGECYKKGQ-XODNFHPESA-N 496.882 5.001 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1 409043301 YTJBDTZESLPDBC-DHRITJCHSA-N 493.386 5.786 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409069500 DDTXWBZMUMVUNV-MHWRWJLKSA-N 475.309 5.733 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)cc2c1 409187410 QCKWLVFYPGELNI-WKIKZPBSSA-N 453.901 5.795 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc(Br)c3)o2)c(Br)c1 409243922 YZUNMXBLCHPGOA-SSDVNMTOSA-N 462.141 5.544 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c1C 409265137 NWNNODYJRCYXIH-LPYMAVHISA-N 473.960 5.198 50 40 JKGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3Cl)=C2C#N)cc1 409323222 ZPWWJRCZCPKSOF-HNNXBMFYSA-N 476.385 5.103 50 40 JKGB COc1ccc(C(=O)N/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1OC 409326305 JPQRSXBLANHUOV-WKIKZPBSSA-N 489.406 5.187 50 40 JKGB Cc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1 409365690 RNEHBLPLCKZCEA-RPPGKUMJSA-N 492.200 6.407 50 40 JKGB Cc1c(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)c(C)c1COc1ccc(F)cc1 647914 NIRVFHICRCVVHU-SANMLTNESA-N 474.576 6.089 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1OCC(=O)Nc1ccccc1C 873380 UXPFPXUTVHGZMU-MUUNZHRXSA-N 491.547 5.393 50 40 JKGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C/c1ccc(-c3cc([N+](=O)[O-])ccc3Cl)o1)CO2 1763227 NYLDUQSVGYJISB-ORMFSKTFSA-N 483.908 5.096 50 40 JKGB Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C1CC(C)(C)CC2=O 2187774 AEIKKYNXLBLZHM-JOCHJYFZSA-N 452.385 6.243 50 40 JKGB N#C/C(=C\Nc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2204978 OUWTUWYGKZKFRB-FMIVXFBMSA-N 450.829 6.367 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccccc1Cl 2306622 QGVVMNMCFVYBMZ-VCHYOVAHSA-N 472.741 6.893 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 2848552 XDSPRMBJDINNDD-VXLYETTFSA-N 454.309 6.343 50 40 JKGB O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 3656905 ICSIXKSTPOKPFP-OCSSWDANSA-N 496.408 6.298 50 40 JKGB Cc1cc(C)c([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1CSc1cc(Cl)ccc1Cl 8416737 HRTKPJKPKJFCGQ-OAQYLSRUSA-N 471.413 6.152 50 40 JKGB COc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 9272596 REEQEGFJEMWWAH-YMGIJWJESA-N 489.984 5.414 50 40 JKGB COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1 9428343 PXLULPGZXZXDFI-WGOQTCKBSA-N 463.607 5.010 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H](C)NC(=O)c2ccccc2)ccc1OCc1cccc2ccccc12 9892585 NTULHURZYWBTKK-RQQFFKHGSA-N 495.579 5.086 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Cl)cc4)c32)ccc1OC1CCCC1 12951389 QGGQUJGEMGNHQI-NRFANRHFSA-N 462.937 5.278 50 40 JKGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 13939803 DSEKMELOXDXOID-MDWZMJQESA-N 482.161 5.875 50 40 JKGB CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)OCc2ccccc2)=C(C)N1 20171420 BMKFXRSSTIKXLF-XMMPIXPASA-N 497.016 5.466 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)o2)cc1 33862581 JCSVARCLTBPWLK-LGMDPLHJSA-N 465.303 5.431 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccccc4F)c(Br)c3)[nH]c2c1 34704869 HCKNUYYHFJZYKJ-WQRHYEAKSA-N 462.322 6.416 50 40 JKGB COc1cccc2cc(C(=O)N/N=C/c3cc(C)n(-c4sc5c(c4C(=O)O)CCCC5)c3C)oc12 35327869 RHQSPFLBQTVXIG-UVHMKAGCSA-N 491.569 5.251 50 40 JKGB N#CC(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)/C(O)=N/c1nc2ccccc2s1 41120712 XKMWBCKJDRIGCI-QGOAFFKASA-N 468.969 7.148 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1cccc2ccccc12 59101796 VAOFCPZZMMZACP-AJBULDERSA-N 475.548 5.982 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(C)c1 59117507 HTVVMHGPWHCMEV-YBFXNURJSA-N 467.352 6.435 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cccc(Br)c1 59336306 GFCLOXGZVDPZBA-YBEGLDIGSA-N 489.200 6.709 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 59447350 RREBHVRYSLMZCS-JFLMPSFJSA-N 459.889 5.744 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1Cl 59536613 BKJXRJMWOLEPMC-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408542745 NRQFGWZFVHZAAI-NHDPSOOVSA-N 477.900 5.778 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1cccc(C)c1 408545035 XXHGEMRZABTHMR-HYARGMPZSA-N 480.568 5.969 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1 408740780 IBFQKHCXEIRYPD-SFQUDFHCSA-N 497.429 6.350 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc2c(c1)OCO2)C(=O)Nc1cccc(Br)c1 408764679 MXWSCJNWVMTIJW-WQRHYEAKSA-N 477.314 5.302 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(Br)c1OC(C)=O 408766452 QVQKTJGRYZDPTI-GIJQJNRQSA-N 465.303 5.082 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1 408777310 YEGYFGHLZMGESN-STZFKDTASA-N 487.386 7.580 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccc2ccccc2c1 408790980 ZWBQKGLWIZGKGO-WPWMEQJKSA-N 476.576 6.926 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1OCc1ccccc1C#N 408794754 JDDPCSKWHIOMIM-CVKSISIWSA-N 477.564 6.037 50 40 JKGB COc1ccc(N(Cc2ccc(C(=O)NN=C3CCCCC3)cc2)S(=O)(=O)c2ccccc2)cc1 408822696 SGIMKMKCAQNIPS-UHFFFAOYSA-N 491.613 5.141 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)cc3Cl)c(C)c2)c(C)c1 408843995 AQTVNENPBAFLQF-WSDLNYQXSA-N 479.407 7.352 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(F)cc1 408848380 UIJQHNOCAZQBED-CXUHLZMHSA-N 475.734 6.911 50 40 JKGB N#C/C(=C\c1c(OCc2cccc(F)c2)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1 408888231 UDMKFFALQXMNKR-XSFVSMFZSA-N 456.904 6.757 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 408898934 YLUKLNXIRXJLQW-WOJGMQOQSA-N 471.771 7.080 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1Cl 409053165 LRPMGZVTSKXFAG-DHRITJCHSA-N 457.755 5.754 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1 409060215 YLJRAKIGKFTKTL-WOJGMQOQSA-N 480.351 5.865 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1OCc1ccc(C)cc1 409065088 GAXMLUXSTWRSGI-HZHRSRAPSA-N 454.526 5.562 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1OCc1ccc(C)cc1 409075829 YIGACIRHMRDWDH-HZHRSRAPSA-N 472.972 6.510 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1Cl 409148462 YVRRLELJLMZOTG-QHCPKHFHSA-N 484.383 5.311 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)c1ccccc1 409232317 QBDACAYBHZRBJO-MLJKTZRHSA-N 456.285 5.946 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2)cc1Cl 409257257 PMKIALJRSZXEOZ-WQRHYEAKSA-N 480.351 5.865 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2)cc1Cl 409261602 FBIFYQHJOUXRSQ-NDENLUEZSA-N 459.933 5.520 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)[C@H](O)c1ccccc1 409264088 JOUPRYVLSMXGJX-NJTCQAJUSA-N 452.341 5.180 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)ccc1OC 409325523 ZOHSIIPQAMCHCN-MUXKCCDJSA-N 487.383 6.052 50 40 JKGB Cc1cc(C)c([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(Cl)cc1C 650685 FCYUMVYYYLEQEL-WNCULLNHSA-N 483.015 6.438 50 40 JKGB O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1sc2ccccc2c1Cl 672409 SBJLEBFNSKSAAG-UHFFFAOYSA-N 489.778 5.310 50 40 JKGB CC(C)(C)c1cc(/C=N/NC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O 2060039 JCMSLAUQJMAROW-KBVAKVRCSA-N 480.693 7.052 50 40 JKGB N#C/C(C(=O)Nc1ccccc1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2356242 JKFCNINQRRNUCM-IVYNLYIOSA-N 494.403 6.058 50 40 JKGB CC(=O)c1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1)N2 6074200 BGFCFSUMQMMXNS-DDFGHHCKSA-N 479.001 6.836 50 40 JKGB O=C(N/N=c1\scc(-c2ccc(Cl)cc2)n1C(=O)Nc1ccc(Cl)cc1)c1ccccc1 8694203 HDWRKMUSCYLITB-NFFVHWSESA-N 483.380 5.849 50 40 JKGB CCCCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OC)cc4OC)CC(=O)N3C2)cc1 9693525 CWKSXRPMDXHBHF-JOCHJYFZSA-N 463.603 5.266 50 40 JKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 10059247 RIHUNCWXZBQVCM-DVQSINOTSA-N 450.966 5.962 50 40 JKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 18180361 FVALOFSEFLAQMT-DXTZOESMSA-N 488.012 6.022 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 20197378 RCHNVSNNINAAJE-OGLMXYFKSA-N 466.965 5.870 50 40 JKGB CC/C(=N\NC(=O)c1cc(-c2ccc(CC)cc2)nc2c(Cl)cccc12)c1cc(C)ccc1C 20212764 TZDPKKGEHPDMAA-HMZBKAONSA-N 470.016 7.279 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 20763822 AHNAEVYPHMCBKJ-VULFUBBASA-N 487.781 5.844 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Cl)c1Cl 28216143 FEKVEYGVRZCJBS-OPEKNORGSA-N 491.400 5.693 50 40 JKGB C/C(=N/NC(=O)CCCCC(=O)N/N=C(\C)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 30951362 AOSRMEHLTGPAIP-QXLZFTBOSA-N 494.724 5.964 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 33631638 GRVUTHHIVVAIIX-ZROIWOOFSA-N 468.365 6.611 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1ccc(F)cc1 59435295 BBBHIWLWPQOLKU-RPPGKUMJSA-N 491.744 5.593 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccccc2F)cc1)c1cc2cc(Br)ccc2o1 83313463 UBXNCIVUWZZSBR-ZMFRSBBQSA-N 467.294 5.677 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cc(Br)c(Br)o1 98035268 NYWOKLPATOVDRE-JJFYIABZSA-N 478.140 5.001 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccccc1Cl 408544833 XUJWPJHBTBRKBK-JAIQZWGSSA-N 468.336 6.733 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c(C#N)c1C 408546976 PUKGJANEAFLBAB-MHWRWJLKSA-N 489.509 5.300 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(Br)c1OCc1ccccc1Cl 408568608 VNEWHVDNEMNTLA-NHDPSOOVSA-N 493.788 7.016 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1OC 408579667 JIFYQLGPDLIMAM-YBFXNURJSA-N 468.322 6.249 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)Sc1nc2ccccc2[nH]1 408599634 XWDAWEPFQRPEIG-GZTJUZNOSA-N 496.817 7.215 50 40 JKGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 408612342 VBTLAVSRRKDGTA-MZJWZYIUSA-N 470.356 5.224 50 40 JKGB Cc1cc(/C=C(/C#N)Cn2cnc3ccccc32)c(C)n1-c1ccc(I)cc1 408691723 NKHXLEWWAVDUOZ-PDGQHHTCSA-N 478.337 5.656 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccc(C)cc3)n2)cc1OC 408727317 VTCVNKOYQFVUOZ-ZCTHSVRISA-N 490.563 5.782 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)c2C)cc1 408744681 ZHLYRUSVVJRJFH-CPNJWEJPSA-N 478.346 5.189 50 40 JKGB Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(F)c(Cl)c1 408750374 LYZOVDRPPHFWQE-LQNQUEJISA-N 475.951 5.273 50 40 JKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)c1 408777559 CARXYZYZZQPNOP-BKUYFWCQSA-N 457.486 5.507 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(I)c1OC 408788637 DZSMPCZGDVYPBS-VGOFMYFVSA-N 496.732 5.206 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1cccc(Cl)c1 408791564 YTBIIDOQSLMKBF-LICLKQGHSA-N 485.740 6.366 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OC(C)C 408805509 KWZCGKFIZOSESU-RIYZIHGNSA-N 496.732 5.286 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)ccc1OCc1cccc(C)c1 408806577 FNKMIDCRJYCQCO-HZHRSRAPSA-N 456.542 5.835 50 40 JKGB C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 408831961 HYQLSCXKJGILDY-XSFVSMFZSA-N 479.363 6.683 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)c1 408849999 CNPZYSLMQJYETJ-MXAYSNPKSA-N 450.336 5.675 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1OC(C)C 408872266 CDSVTZWIMKLRNK-WOJGMQOQSA-N 457.368 5.743 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cc(C)cc(C)c1 408881664 MAPVERBUJUQRRW-LPYMAVHISA-N 494.513 6.846 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1Cl 408885673 DRKDBUHCKRTAAK-KGENOOAVSA-N 470.931 7.065 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Cl)cc1 408889774 HBAXNLVHTKACKR-CPNJWEJPSA-N 466.946 5.270 50 40 JKGB O=C(O)c1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1 408963556 OJMOQFJAHRMQRX-IBBHUPRXSA-N 492.453 5.900 50 40 JKGB O=C(N/N=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)c1cccc(C(F)(F)F)c1 408965684 XDOGILCUROUISF-FJEPWZHXSA-N 493.441 6.110 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccco2)cc(OCC)c1OCc1ccc(Cl)cc1 408998423 JBRPFRFOKWHGDX-HMAPJEAMSA-N 476.960 5.863 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1)c1nc2ccccc2[nH]1 409047048 MHHIBXVGVHTXNY-CXUHLZMHSA-N 454.744 7.166 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1OCc1ccc(C(=O)O)cc1 409067316 CLNKAWAKLVHCSJ-BUVRLJJBSA-N 482.536 5.555 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)c2ccccc2)cc1 409068723 BQIRTRGABAMJED-CPNJWEJPSA-N 454.345 5.589 50 40 JKGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1 409072227 MSBLLNYHFAFPEK-YDZHTSKRSA-N 457.964 5.642 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 409190411 MQZFEKODYQCTAO-MFOYZWKCSA-N 493.818 6.590 50 40 JKGB O=C(N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccc(Cl)cc1 409193539 GBPUFFIZCBLEGH-JFLMPSFJSA-N 459.889 5.744 50 40 JKGB Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccc(C)cc3)c2)cc1 409219783 QIJZJTHAFXIFGJ-UHFFFAOYSA-N 491.547 5.539 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 409260921 YMKKNRWGWMTTJC-LICLKQGHSA-N 498.322 5.992 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccc(Cl)cc1 409393284 PQCAVCKTCNTISK-NVMNQCDNSA-N 472.741 6.893 50 40 JKGB CC(C)Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 985839 IVGXJCMVINQOIW-RUZDIDTESA-N 490.563 5.713 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OC(=O)c1ccccc1Cl 10060122 MYOMMEAIGPUXNG-MZJWZYIUSA-N 471.340 5.684 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 12585857 USTDTNRMSCHQNQ-LICLKQGHSA-N 467.308 5.767 50 40 JKGB Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)c1 12859595 PGDJIBHJNLCLQV-KIBLKLHPSA-N 451.737 6.053 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C)C5)o2)cc1 14358985 GJUIBNFBNNIMKF-VUODPORTSA-N 485.565 5.610 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1sc2c(c1C#N)CCCC2 15945132 RTVVQOASBMNURI-UVHMKAGCSA-N 487.541 5.324 50 40 JKGB CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)c1C 16035574 MTVJDVNSELJQTL-GZTJUZNOSA-N 477.448 5.438 50 40 JKGB Cc1ccc(C)c(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccccc2)c1 19948339 RPQXZSOOHKVCEK-UHFFFAOYSA-N 497.705 6.276 50 40 JKGB CC(C)(C)c1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(C(C)(C)C)c1O 33394101 MTDMOHHIPSUKOL-WJDWOHSUSA-N 455.396 6.295 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccccc1 33722249 GKNSKEZMBMKPQY-JAIQZWGSSA-N 479.330 6.399 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)c(C)c1 59201847 OKOVUPRWWPEAMD-UDWIEESQSA-N 495.804 6.844 50 40 JKGB Cc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)cc1 59281970 AMIMIRKGVWOSLA-WOJGMQOQSA-N 461.861 5.322 50 40 JKGB N#C/C(=C/c1cc(Br)c(Br)o1)C(=O)Nc1cccc(Cl)c1Cl 59336605 UQLXRSJZVWGSRP-DAXSKMNVSA-N 464.928 5.657 50 40 JKGB CC1CCN(C(=O)[C@@]23CC[C@](C)(/C(=N/NC(=O)c4ccc(Br)cc4)C2)C3(C)C)CC1 100869162 YGRMXTYHNVJECM-LPCCRRKSSA-N 474.443 5.010 50 40 JKGB CCCCCCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 108356585 JUBRVJMQARPHLS-XDJHFCHBSA-N 489.841 7.387 50 40 JKGB C[C@H](CCC(=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 118914655 XNTZTQJAAZNSGD-LNSYYDGKSA-N 453.461 6.089 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc(F)cc1 408543434 RBWYPVAGDBCRBA-GRSHGNNSSA-N 482.305 5.938 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(OC)c1OCc1ccc(Cl)cc1 408568302 SMMPNKIBHGKBGS-NDENLUEZSA-N 473.935 6.736 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1cccc(F)c1 408570387 ULLFOXPPVLYZAO-IUXPMGMMSA-N 465.887 6.536 50 40 JKGB COc1ccc(/C(C#N)=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1OC 408582684 OXBHLNHPUMAZPA-PXLXIMEGSA-N 455.941 7.154 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 408583038 RFZUZSCOGYGRCR-XDHOZWIPSA-N 454.751 6.754 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc4ccccc4c3)c2C)cc1Br 408599263 REKDSMCBHXTUFK-JFLMPSFJSA-N 460.375 6.082 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Br 408765798 YCVDCAIQDNWEHY-WUXMJOGZSA-N 484.575 5.809 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Br 408809470 RSQHZMIYDDCBOT-PXLXIMEGSA-N 497.392 7.035 50 40 JKGB COc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1[N+](=O)[O-] 408817978 XIIJTVACQKENSH-PKAZHMFMSA-N 454.486 5.133 50 40 JKGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)cc1 408839466 SSJWUBGJUFABTI-JFLMPSFJSA-N 476.989 5.637 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cccc2ccccc12 408879264 CNEBWAFDHDMDSN-XSFVSMFZSA-N 493.475 5.521 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccccc1Cl 408899263 OUOIMNQYKIVPOV-XDHOZWIPSA-N 477.904 5.690 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C\c1cc(Br)c(Sc2ccccc2)o1 409018887 XZLAVCMCVGVZNF-MXAYSNPKSA-N 482.359 5.271 50 40 JKGB CCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)c2cc(C)ccc21 409040266 STSBEVQBLRWXFV-MNBJERMJSA-N 476.580 6.266 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)cc1 409048613 SRNLPJNBDIXRMP-VCHYOVAHSA-N 499.325 6.044 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OCC)c1OCc1ccc(Cl)cc1 409071153 FFKAGNBPIUZNRH-PXLXIMEGSA-N 470.956 7.252 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1OCc1cccc(Cl)c1 409071529 GUQMRLCVGBPEPQ-FYJGNVAPSA-N 455.945 6.597 50 40 JKGB N#C/C(=C/c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1cccc(Cl)c1 409072097 BEDHSHZMNHGSQQ-WJDWOHSUSA-N 473.337 5.307 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc2ccccc2c1 409200171 HGXIGXIRYIWXLO-MUFRIFMGSA-N 491.012 6.323 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)c1 409271197 KIZFYSAAEPKDTI-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccccc1F 409392905 OHJDWWHHVDJDPL-NVMNQCDNSA-N 456.286 6.379 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3cc4oc5ccccc5c4cc3OC)n2)cc1 1817403 GPFIESZXPSCVRZ-SAPNQHFASA-N 453.523 6.703 50 40 JKGB N=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1sccc1OCc1ccc(F)cc1 3128096 RXCUFUZUCTVIOG-UHFFFAOYSA-N 468.337 5.064 50 40 JKGB CCOc1cc(/C=N/NC(=O)NC2CCCCC2)ccc1OCCOc1ccc([C@H](C)CC)cc1 8984386 SARQAJXRCKPLNH-ZLGPJQJGSA-N 481.637 6.022 50 40 JKGB Cc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(Br)c4)CC(=O)N3C2)cc1Cl 9693438 UNQGLIWXRJIVMH-KRWDZBQOSA-N 474.811 5.630 50 40 JKGB COc1ccc(Br)cc1[C@H]1CC(=O)N2CN(c3cccc(Cl)c3)CSC2=C1C#N 9693464 BJXCIQBOLYBELX-MRXNPFEDSA-N 490.810 5.331 50 40 JKGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(/N=N/c2cccc3ccccc23)ccc1O 9905824 OVYUOPOKPUOUQM-AFLDOIPMSA-N 469.457 5.398 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 9948817 UIAMRVWSNUKMCA-GHRIWEEISA-N 497.429 6.350 50 40 JKGB O=C(N/N=C\c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)[C@@H]1COc2ccccc2O1 13598970 RHFRSEUPXZXWQL-AEODDEPQSA-N 451.693 5.197 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@H]1[C@H]2c3ccccc3C=CN2[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 15905877 XGMRBSIJVDWHQT-KQFVITFDSA-N 467.572 6.433 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(Br)c1O 16943260 CESVUAMEVZJSNG-NYYWCZLTSA-N 482.186 6.658 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)ccc1OC(C)C 17307197 KFUCJDNIBDWGSZ-YBFXNURJSA-N 458.539 6.167 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)cc1 20197455 YQDPPMNFDRDWHO-YDZHTSKRSA-N 472.295 5.170 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3C#N)c3ccccc23)cc1 20198113 QXMPNBITOZYMEY-UXHLAJHPSA-N 450.542 5.422 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Cl)c1OCc1cccc(F)c1 108139110 UXHZNOZLMBPSPB-GRSHGNNSSA-N 461.924 6.706 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 108932355 RAXQQJGILWXASN-OCSSWDANSA-N 451.957 6.189 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 408602190 AZRAUXQIIPIVSN-OMNSNBSWSA-N 466.541 5.282 50 40 JKGB CC(=O)c1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4cc(C)c(C)cc4[nH]3)cc2)cc1 408603718 GXQDQHMIAMFJBC-HYARGMPZSA-N 464.525 5.464 50 40 JKGB O=C(O[C@@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408640982 BWRFUUACGGVWNE-GUYCJALGSA-N 489.182 5.423 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Cl 408752711 JPSBABIXCQWIRH-MLPAPPSSSA-N 498.160 5.243 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc(O)cc1 408789622 QJZYNUHRZDXKBZ-GZTJUZNOSA-N 494.301 5.188 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OCC 408847180 MDQDBDALEMTKCN-QFEZKATASA-N 471.351 5.485 50 40 JKGB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N\NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 408851237 WRRZXBBSUKDVBW-KAECXJSPSA-N 475.552 5.207 50 40 JKGB CCOc1cc(/C=N/NC(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(F)cc1 408852473 LGHIDGWFSUCPKB-VULFUBBASA-N 486.341 5.722 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1cccc(C(F)(F)F)c1 408962356 HSBDPKAZPWTVOF-PNQUVVCRSA-N 490.312 6.779 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 409047638 PBJDBMIDMVZUFB-LDADJPATSA-N 478.302 5.439 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(Br)cc1OCc1ccc(F)cc1 409126510 BSCAPYZDMYWMAM-HSZRJFAPSA-N 497.320 5.100 50 40 JKGB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)o1 409191142 TULIFRDZGJZFRR-YSURURNPSA-N 451.693 5.457 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 409199195 BSQUMGYJOJHOSK-JLPGSUDCSA-N 483.955 7.299 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1cccc(C(=O)O)c1 409394325 YVWFALNDSILWFH-OCKHKDLRSA-N 482.305 5.938 50 40 JKGB Cc1ccccc1[C@@H]1C(C#N)=C2N=C(N)c3c(sc4c3CCCCC4)N2C2=C1C(=O)CCC2 708321 SRVDHFMQZSLUEH-JOCHJYFZSA-N 454.599 5.390 50 40 JKGB aggregator Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3Br)o2)cc1Cl 3140639 ICUKZEYVKJRFCW-YSURURNPSA-N 482.161 5.853 50 40 JKGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1sc2ccccc2c1Cl 8398770 KNVXXMWQVWVIBP-UHFFFAOYSA-N 457.766 5.482 50 40 JKGB CCCCCCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2cccc(OC)c2)cs1 9042877 XLEDRKQAUPFEGZ-LVZFUZTISA-N 461.587 6.532 50 40 JKGB CCCCCOc1ccc(C(=O)NNC(=O)c2ccc(COc3ccc(OCC)cc3)cc2)cc1 13164261 GZUWDYJZXGFLAG-UHFFFAOYSA-N 476.573 5.308 50 40 JKGB CCC(=O)Nc1sc(/C(C#N)=C/c2cccc(Oc3ccccc3)c2)nc1-c1ccccc1 13646826 POHRXMMCLDCGLU-LTGZKZEYSA-N 451.551 7.015 50 40 JKGB Cc1ccc(C(O)(C(=O)N(/N=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)c2ccc(C)cc2)cc1 15240029 MMRIFNAMKONMQO-TWKHWXDSSA-N 479.536 5.515 50 40 JKGB O=C(/C=C(/SS/C(=C/C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 17107272 RDQLJLYLKAZUSR-VFIVCBTMSA-N 478.638 8.216 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1 33664010 RBCWVKRPNGLFCI-LQKURTRISA-N 485.496 5.108 50 40 JKGB CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c1O 44965610 ZNFOGGPEAIJYEQ-XODNFHPESA-N 495.447 6.341 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 59201248 HAQRRAIHZFUGKW-CIAFOILYSA-N 495.406 7.134 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 59224807 MEAUNXZORSZGCI-LDADJPATSA-N 497.776 6.236 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccc(Cl)cc1Cl 59272355 UWSYIKORCAEBJR-WQRHYEAKSA-N 459.373 5.937 50 40 JKGB O=C(N/N=C/c1ccc(Br)cc1)c1ccc(OCc2ccc(Br)cc2)cc1 59367088 BGSIJZVCTXNHPW-ZMOGYAJESA-N 488.179 5.555 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1F 59536344 IOIVSXSEHGLEMQ-UDWIEESQSA-N 464.924 6.311 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCCC(C)C)c(OC)c2)sc2c1CCCC2 97990694 KEJKAPWFGPQVMX-RGEXLXHISA-N 496.629 5.783 50 40 JKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccccc2Br)cc1 98001598 DLESSTLFUQLEKO-LGUFXXKBSA-N 459.428 6.733 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 107784831 PXXQLBAZDSVZOO-ZMFRSBBQSA-N 488.327 5.182 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1 408544806 XPPMSNOCOKHHOW-ODLFYWEKSA-N 477.314 5.272 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1cccc(C)c1 408548830 LUCBQYPJUBLXGI-MXAYSNPKSA-N 484.393 7.563 50 40 JKGB O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc(Oc5ccc6ccccc6c5)cc4)[C@@H]13)[C@H]2Br 408689523 SBGNIKIVFOLWBX-PTROGCMSSA-N 478.342 5.142 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408724931 FDRRSZMWVMTYGZ-PDGQHHTCSA-N 463.877 5.381 50 40 JKGB O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1ccccc1Cl 408733687 ZONCMEIENJZRDX-QXPFVDMISA-N 475.979 7.229 50 40 JKGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1 408766666 WKRZQVZGGJTNBK-CCVNUDIWSA-N 491.307 5.740 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 408787149 SLHQQPYHMANRMU-FXBPSFAMSA-N 486.040 7.195 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)c1 408809215 RAZGSJUWEDSIPI-XQNSMLJCSA-N 466.968 7.235 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1ccc(Br)cc1 408819542 XPPDGKVMINFXDJ-VDCHDYNVSA-N 483.406 5.639 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1O 408819830 UEDYDMGUMMVXMG-YVNNLAQVSA-N 478.140 5.156 50 40 JKGB Cc1cc(C)cc(Cc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 408874305 ZYTRIHADDPWQNP-ZTKZIYFRSA-N 472.588 7.019 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccccc2-n2cccc2)c1OCc1ccc(Cl)c(Cl)c1 408889000 ANHCSSWDGFXAAA-MUFRIFMGSA-N 494.378 6.136 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1ccc(I)cc1 408889927 LEAHEFBTRWZYDH-QGOAFFKASA-N 498.295 5.555 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(OCc2cc(C)cc(C)c2)c1 408890825 ZTMFZDROAKRNCW-LPYMAVHISA-N 460.961 6.399 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccccc1 408890924 IMDWQXALMKJMCI-HMMYKYKNSA-N 497.348 6.367 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Cl)c1OCc1ccccc1 408899181 ZRBDVJNCAUHEDH-MZJWZYIUSA-N 495.988 5.701 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 408899875 RIBLACFWKWXCSS-LDADJPATSA-N 478.302 5.482 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 409221387 PPMWXUPFIBNDJS-ODLFYWEKSA-N 466.415 5.528 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 409235110 AKGJGFVDIFNREY-UQEONJGVSA-N 497.551 5.695 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2)cc1C 409253388 BCSZQKDLCILUIS-MOSHPQCFSA-N 459.933 5.520 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1cc(C)ccc1C 409264152 PIVFWJMPDREIEC-OEAKJJBVSA-N 483.568 5.492 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 1452671 QKZHSFBFIPJNSX-CAPFRKAQSA-N 452.489 5.623 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccccc1F 1915812 DBWCLLUBDGKWPM-LGJNPRDNSA-N 481.574 5.265 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc2c1CCCC2 2207596 WUESHSCOJWYJNK-QINSGFPZSA-N 470.019 6.557 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1ccccc1O 9076001 RUKCFLFMJSLOTO-NLRVBDNBSA-N 463.607 5.097 50 40 JKGB CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 12273764 SSSLKBGSWXQEDG-DBJYNHDPSA-N 495.648 6.403 50 40 JKGB O=C(Cc1ccccc1)N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 16478573 TVDZBWXGVFNLDN-TWKHWXDSSA-N 450.538 5.537 50 40 JKGB CC(C)(C)c1ccc(/C=N\NC(=O)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 29763365 CVXKSLXPOGNBQU-MBTHVWNTSA-N 455.385 6.634 50 40 JKGB Cc1ccccc1N[C@H](C)C(=O)N/N=C\c1ccccc1OCc1cccc(Br)c1 33145612 GLMVTVQTPRBKPQ-WTTSBOSASA-N 466.379 5.287 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2C#N)c(OC)c1 34795364 XAMPJARRLCYNMJ-WCMJOSRZSA-N 499.954 5.725 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1ccc(F)cc1 59116806 DPLDCOYAUBPNGX-PDGQHHTCSA-N 451.295 5.713 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc2ccccc12 59281812 GRNQEFGZEMZZTC-KGENOOAVSA-N 473.359 7.271 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OC)c1OCc1ccccc1 59332868 AMYOFBLJHXZBGV-OOAXWGSJSA-N 493.607 5.258 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 59335880 FQFKAXKRTXTBQP-YBEGLDIGSA-N 492.189 7.425 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(C)cc1 108276287 WJOHUBRTJYHEQL-DICXZTSXSA-N 481.936 5.227 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)[nH]c2cc1C 408541962 GGTGCGKKJHGOAR-GZTJUZNOSA-N 455.430 5.853 50 40 JKGB O=C(NNc1cccc(OCc2ccc(Cl)cc2Cl)c1)[C@H]1CC(=O)N(c2ccccc2)C1 408606917 MOQBWGLUZSCXNR-KRWDZBQOSA-N 470.356 5.069 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)c(OCC)c2)c1 408747040 YHBUKVXBNQOGAZ-MTJSOVHGSA-N 486.524 5.337 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1O 408764047 VTIQXEHCFWJRRU-ZSOIEALJSA-N 462.141 5.191 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1I 408790224 VHJYMZWINIDPHS-RIYZIHGNSA-N 466.706 5.197 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1cccc2ccccc12 408799806 LKLRTBKGVXYXCE-HDPWPAKNSA-N 454.570 6.029 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1c(C)ccc2ccccc12 408803375 OEYDNEDWWFNOQE-HYARGMPZSA-N 482.967 6.935 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)cc2Cl)cc1C 408805961 DBZUXHTXLSCYAM-UDWIEESQSA-N 495.804 6.844 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1cccc(Cl)c1 408828418 MKFLVYXXNLKGFP-LGJNPRDNSA-N 488.327 5.643 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1cccc(F)c1 408854739 BZJIUWCBELFOIO-MUXKCCDJSA-N 466.896 5.967 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OCc2ccccc2Cl)c1 408894131 JHRHZXMKFUQOPH-WOJGMQOQSA-N 493.903 5.390 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc2ccccc12 408895664 VINQUNSXSHFFDZ-STBIYBPSSA-N 472.928 5.875 50 40 JKGB COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1cccc(C)c1 408903922 BFBCUNHVLUBMQZ-WGARJPEWSA-N 482.378 5.809 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)ccc1Br 408904266 HHXAABZZVVCDHB-MXAYSNPKSA-N 472.770 6.146 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4c(O)ccc5ccccc45)cc3)cs2)cc1 409033407 LFCRFJJFWZMBGQ-MUFRIFMGSA-N 478.577 6.485 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409083802 WIELSCIJFZUUSE-MHWRWJLKSA-N 478.848 5.803 50 40 JKGB Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)c1 409253717 BWXCJJYCDCOKEK-ZHZULCJRSA-N 459.933 5.520 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1C 409260447 QLADQTGOZYFFKK-DEDYPNTBSA-N 493.485 5.885 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1OCC 409314064 QGZKQZXUDGDCQV-MBTHVWNTSA-N 487.383 6.134 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)c1cccc2ccccc12 409320026 OUJIHRLJBMJMOG-KGENOOAVSA-N 458.330 7.385 50 40 JKGB C/C(=N\NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 12624851 WWQVBLAEIUBBJZ-CVKSISIWSA-N 469.954 5.101 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 14152060 VXCBKBBHYTWQHU-NTEUORMPSA-N 477.929 5.656 50 40 JKGB N#CC1=C(N)N2C(=C(C#N)[C@@]13C(=O)N(Cc1ccc(Cl)cc1)c1ccccc13)Sc1ccccc12 15084617 FFCVIKDQRDBKTQ-MHZLTWQESA-N 493.979 5.180 50 40 JKGB Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@H](C)Sc3ccccc3)c2C)c1 20243737 RWBBTLIMUKFWSD-MJDKSPQASA-N 470.436 5.796 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Br)c1OC(C)C 20761010 MIDREHJOOMBMSZ-SSDVNMTOSA-N 484.188 5.161 50 40 JKGB O=C(CCCC(=O)N/N=C/c1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(-c2ccccc2)cc1 31670082 KKBJEKRLMYFNHC-BDZLSRGKSA-N 488.591 5.791 50 40 JKGB C#CCOc1ccccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1 33450611 JGWSDVREAXDHHF-MIXAMLLLSA-N 467.525 5.042 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)c1ccc2ccccc2c1 33742559 BJNBYUUOZFPSCM-UCQKPKSFSA-N 483.365 6.684 50 40 JKGB C/C(=N\NC(=O)[C@H](C)Sc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 58917134 QZBNTNJJGNFPJL-SIRAYWPTSA-N 467.638 6.534 50 40 JKGB CCS/C=C(/NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100470987 REXLHHHTTKBTJK-NFFVHWSESA-O 468.582 5.963 50 40 JKGB CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)cc2)cc1 102653131 ZPOPXAWDGVHMBH-OGVIVNNGSA-N 484.390 5.286 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OC(C)(C)C)c3)o2)cc1 107579942 DPXZISMCKNHZEA-YKQZZPSBSA-N 485.584 6.207 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1OCc1ccc(F)cc1 408769357 RYPLPYIJNPNERT-HMAPJEAMSA-N 474.532 6.136 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 408791049 SRVYXZYIQLBAGT-CHHVJCJISA-N 498.204 5.775 50 40 JKGB N#C/C(=C\c1ccc(O)c(I)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408792264 AHKNGOCJYVOSKY-LDADJPATSA-N 496.304 5.121 50 40 JKGB Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1 408805630 BDCVCDQKKDUDSG-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OCc2ccc([N+](=O)[O-])cc2)c1 408809758 IQLRSJAOUWAESR-FYJGNVAPSA-N 457.486 5.345 50 40 JKGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3cccc(C)c3)cc2)c1 408848394 WBOUOWNHSQJISC-ZCTHSVRISA-N 491.547 5.539 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1cccc2ccccc12 408897828 UGIBFICYHCXRGO-HYARGMPZSA-N 479.492 5.881 50 40 JKGB O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1cc(-c2ccccc2)nc2ccccc12 409030527 DSQKRJBBARFUJN-DHRITJCHSA-N 491.301 5.042 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409053564 ZRQPJDKIVSEMKS-RPPGKUMJSA-N 488.327 5.562 50 40 JKGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 409173030 KTATUAMJOXMTIY-OKCVXOCRSA-N 461.521 5.264 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(C)cc1C 409261018 ZXOJFWFWAJWPCG-OEAKJJBVSA-N 483.568 5.492 50 40 JKGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1OC 409331035 CENQFKLKLMAWJZ-ZMFRSBBQSA-N 459.329 5.354 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 409366508 SXAKLCJXGMGEMM-JLPGSUDCSA-N 453.929 7.387 50 40 JKGB O=P(CCOCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 3099853 VYTCFZJQVZHFPV-UHFFFAOYSA-N 474.477 5.031 50 40 JKGB biogenic Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N/N=C/c3cc(Br)ccc3O)cc2)c1 3251346 CWYIRGPUMUEABV-MZJWZYIUSA-N 481.390 5.929 50 40 JKGB C[C@H]1CCC/C(=N\NC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)C1 12622882 WKWZJTFCPXXFOU-LPCAMTDXSA-N 454.379 5.090 50 40 JKGB COc1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc(Br)cc4)o3)sc2c1 13590581 ZQDKFLVOZUEKJA-GXDHUFHOSA-N 480.343 5.873 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(=O)c1ccccc1 13658495 XKLBOUXEVLBCNI-FYJGNVAPSA-N 486.980 6.798 50 40 JKGB Cc1ccsc1/C=N/NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 20233062 IQRNBFOOGOIPSC-OVVQPSECSA-N 489.622 5.216 50 40 JKGB CC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccc(Cl)cc1 20347690 PVVGVVSGWTXANS-XMMPIXPASA-N 480.033 5.922 50 40 JKGB Cc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(Cl)c3)NC3=C2C(=O)CCC3)cc1 20348384 ORJTZVSLGXTONQ-DEOSSOPVSA-N 478.017 5.758 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1 28216879 FXOXBSQXFCUNAX-STBIYBPSSA-N 474.029 6.804 50 40 JKGB CSc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1 33655017 DWRXXDHAUQCQJL-YUMHPJSZSA-N 459.571 5.752 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc4c(cc3Cl)OCO4)o2)cc1 34856630 DEHRSJUVWPGFOG-QDTIIGTASA-N 491.931 5.412 50 40 JKGB Cc1ccccc1OCCOc1ccc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)cc1 41108883 YFLBRKAZNBJRRK-CAPFRKAQSA-N 455.539 6.258 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)C(=O)N1CCN(c2ccccc2)CC1 59333197 FRUFXWYULPMVDI-JXAWBTAJSA-N 496.792 5.618 50 40 JKGB CCCCCCCC[C@@H](Cl)[C@H](Cl)CCCCCCCC(=O)[C@H](C(=O)O)[C@H](O)C[N+](C)(C)C 100500837 TYGGPHDVLKGGFC-KOVSNXQUSA-O 497.568 6.020 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)C3=C(O)CCCC3=N2)cc1C 100703104 GUNCEIFDBGDJIK-RUZDIDTESA-N 457.599 6.253 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(Cc2cccc(C)c2)c2ccccc12 137023209 KBJOFYUKDJOJOW-DEDYPNTBSA-N 455.945 6.206 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408580200 MZTSQRCNXANVEI-VCHYOVAHSA-N 455.297 6.553 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408761313 DMBNHDVSYABKIU-RPPGKUMJSA-N 486.380 5.956 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1ccccc1Cl)c1cc2cc(Br)ccc2o1 408849662 XKCWPFMRNCBRAB-ZMFRSBBQSA-N 483.749 6.192 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2Br)c1C 408865986 FDQHHPYSNVTDFN-FYJGNVAPSA-N 479.805 6.856 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1Cc1cccc(F)c1 408871257 WODFLJTYTLERDR-CAOOACKPSA-N 455.316 6.278 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Cc2ccccc2Br)c1 408881773 KKPGXWXSIRHBOG-UDWIEESQSA-N 495.804 6.556 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OCc1ccc(C)cc1 408891829 VXNLCRMFBDWCGW-XDHOZWIPSA-N 467.352 6.435 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1-c1cccc(Cl)c1 408940931 OSQPNGYMQBFPOQ-OPEKNORGSA-N 463.752 5.143 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 408994768 ITEVDYSXZGBVDV-YKQZZPSBSA-N 455.533 5.505 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2[C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 409135922 RDGBCGOTCCXYMQ-HSZRJFAPSA-N 463.331 5.260 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccccc1 409250403 LAJDYOTZUQJFPQ-SFQUDFHCSA-N 466.324 5.557 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(C)c1 409268946 BSHCAXWCSGBJGL-XDHOZWIPSA-N 475.932 5.226 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)ccc1OCc1ccc(Cl)cc1Cl 409380003 FRBASJUCTUBNIG-JAIQZWGSSA-N 484.383 6.067 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1ccc(Br)cc1F)C(N)=C(C#N)[C@@H]2c1cccs1 1064840 MORJSNGRNZSSDV-LJQANCHMSA-N 472.383 5.591 50 40 JKGB Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)s2)cc1 1797149 SZCNSJYSQPXEHF-FSJBWODESA-N 456.662 5.505 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccccc1Cl 3616034 QXOBJQNWZGABLG-FMIVXFBMSA-N 472.682 5.816 50 40 JKGB CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC 3672637 JAJUUYKASQFAHS-FQEVSTJZSA-N 451.320 5.228 50 40 JKGB O=C(/C=C(\SS/C(=C/C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 5493087 RDQLJLYLKAZUSR-DWVPNOFWSA-N 478.638 8.216 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OCc1ccc(Br)cc1 6143350 SFNPRYHIIMZWNV-CPNJWEJPSA-N 474.358 5.988 50 40 JKGB CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 8590239 UQUGFARTVWSTCN-FBMGVBCBSA-N 461.525 5.725 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(CCOc3cc(C)ccc3C)c3ccccc23)cc1 9010561 PEORZSLOXMJJMI-NKFKGCMQSA-N 479.580 6.282 50 40 JKGB Cc1cc(-n2c(C)cc(/C=C(\C#N)c3ccc(Cl)cc3)c2C)ccc1I 9259152 XUFJXQRKLSFKCB-XDHOZWIPSA-N 472.757 6.725 50 40 JKGB COc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(Br)c1OCc1ccccc1 13016263 VKBSYHUKOOBNIX-YDZHTSKRSA-N 495.464 5.073 50 40 JKGB C[C@@H](CC(=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1ccccc1 13114478 VPUOCQQMKKLHBC-WMMCOQJOSA-N 468.475 5.810 50 40 JKGB C/C(=N\NC(=O)c1csc(C(C)C)c1)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 20550104 BJJBNRQFFCJMTO-VPUKRXIYSA-N 497.436 5.797 50 40 JKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C(=O)OCC)cc1 27563353 CDPBPBBIHQDBIY-XMHGGMMESA-N 498.601 5.523 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccccc2Cl)ccc1OC(=O)c1cccc2ccccc12 28616313 JILISCGOFJGFOD-RHANQZHGSA-N 472.928 5.875 50 40 JKGB CC/C(=N/NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1cccc(Cl)c1 33708871 USANPUQPOGCTQH-PNHLSOANSA-N 484.021 5.013 50 40 JKGB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)[C@@H](Br)[C@]21C 36372111 KLRIHFBNZZHISJ-HTXDSVSRSA-N 483.487 5.699 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 59117700 CIJBVTPILACRKE-ATVHPVEESA-N 451.309 6.067 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccccc1F 59333190 IVVOYJJHUYZAJB-CLCOLTQESA-N 478.571 5.393 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)ccc1OCc1ccc(Br)cc1 216042279 LUDZNQGHUZMHMF-DICXZTSXSA-N 481.390 5.346 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3)n2)cc1OC 408727422 WRTACTATCLQZIE-NDZAJKAJSA-N 476.536 5.474 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccc(O)cc1 408793857 QNAKUJPCPZPSPQ-LICLKQGHSA-N 467.294 5.418 50 40 JKGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3C)cc2OC)c1 408819931 ZJLHDKPKSDFPBX-XDHOZWIPSA-N 492.959 5.799 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(C)c1OCc1ccc(Cl)cc1Cl 408854778 BBOXGYNSPQFIRV-FJEPWZHXSA-N 477.391 7.106 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3F)ccc3ccccc23)cc1 408873727 WNGXTRJLCSTCBV-HKOYGPOVSA-N 478.523 6.292 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c(C)n1-c1ccc(Cl)c(Cl)c1 408886828 MLTOVIQPJKNZKS-OQLLNIDSSA-N 479.194 7.253 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)n1-c1cc(Cl)cc(Cl)c1 408924846 OVPMPOLXKPOJEY-FRKPEAEDSA-N 455.301 5.855 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1cccc2ccccc12 409127093 IORVMHXPUCWSRA-NDEPHWFRSA-N 479.580 5.547 50 40 JKGB COC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OC 409185296 WCWRSNPNSUWXOR-VULFUBBASA-N 484.961 5.550 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 409212402 LWRVFESJHCWYJY-RPPGKUMJSA-N 479.816 6.468 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1 409214139 VZBFRYCMUXIOSJ-MZJWZYIUSA-N 489.424 6.214 50 40 JKGB COc1ccccc1-c1cc(C(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2n1 648230 XQIWEPFPDQSXHS-UHFFFAOYSA-N 481.339 5.684 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 1454165 JTSUKGQNDPVQNT-MHWRWJLKSA-N 498.366 6.985 50 40 JKGB COc1ccc(-n2c(-c3ccccc3)cc3c2CCC(C=O)=C3Sc2ccc(C)cc2)cc1 2383839 KGDZNKPYIUAZQQ-UHFFFAOYSA-N 451.591 7.110 50 40 JKGB C/C(=N/NC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1)c1ccc(F)cc1 8694819 GDZLTEHSOWNMIT-QDTIIGTASA-N 473.455 5.308 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccnc2)cc(Br)c1OCc1cccc2ccccc12 9028324 TXRHNAYIGQIEIM-CCVNUDIWSA-N 490.357 5.349 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/C=C/c1ccccc1 9186796 GPDNJTGRIAEPCK-MPCPQKGKSA-N 480.037 6.011 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1cc(C)ccc1F 9187469 RPMHQCAYKVRFLQ-UDWIEESQSA-N 484.531 5.718 50 40 JKGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 9720514 GDVWPMHGCOOTDN-KIBLKLHPSA-N 451.737 6.053 50 40 JKGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1c(F)cccc1Cl 12465579 TYSYXUSWGIWJFD-UYOCIXKTSA-N 487.434 5.519 50 40 JKGB Cc1cccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c1C 13945623 VPXJRGLMOBCFSW-VULFUBBASA-N 467.363 5.174 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 16439413 OHHMKJYVGGCALJ-JLHYYAGUSA-N 468.263 5.172 50 40 JKGB C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 16728738 ZGPMXNFQVFHTAQ-HKOYGPOVSA-N 460.537 5.327 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c(C)n1-c1ccccc1Br 20240912 JPTAWXHLIKPVMM-BRJLIKDPSA-N 490.854 5.894 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CCSc3ccccc3)c2C)cc1C 20243906 OTOLKEQVMLAAMP-CVKSISIWSA-N 484.463 6.106 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC 34719175 BMJUOXYYQOLDFW-OQLLNIDSSA-N 459.727 5.059 50 40 JKGB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3C[C@H](Br)C(=O)[C@@](C)(CCC(=O)O)[C@@H]3CC[C@@]21C 34909196 KPIZABGNNPKJMS-IBVGTCLOSA-N 483.531 7.115 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(F)cc1 59232965 KADSMEKKBIBVEQ-DEDYPNTBSA-N 479.349 6.275 50 40 JKGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cccn2-c2ccc(Br)cc2)c1 59303510 VZVQKZASFCZNGB-WGOQTCKBSA-N 461.363 5.411 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Br)cc1)c1ccc(Cl)cc1Cl 59464367 LCJCFMYDUMJZPX-BRJLIKDPSA-N 491.172 5.772 50 40 JKGB O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95670136 OLVCKTXXONYSKV-UHFFFAOYSA-N 466.062 5.492 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccccc1C#N 102137066 CPFJHTRDJBAKMJ-MUXKCCDJSA-N 459.889 5.309 50 40 JKGB CC(C)=CCC/C(C)=C\C=N/NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C\C=C(/C)CCC=C(C)C 104385040 NBVXLNMQFFNYMV-RHXWUJNDSA-N 474.715 6.086 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccccc1F 107872143 HTEZYHIRXYHWPC-MUFRIFMGSA-N 458.489 5.339 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl 408538301 KOOVDQPCSOPYPQ-AQTBWJFISA-N 479.835 7.932 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 408553378 YFSCPXOKQPTVFD-CFRMEGHHSA-N 482.967 6.892 50 40 JKGB O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 408719606 HEMNDOPWDKVIOJ-AFUMVMLFSA-N 483.387 5.052 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(C)cc1 408799360 YUIGWUNABUYSSD-RGVLZGJSSA-N 491.931 6.080 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)c1C 408813449 OAPCNDUSFYCNSD-XQNSMLJCSA-N 477.520 6.490 50 40 JKGB Cc1ccc(Sc2ccc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)cc1 408857946 NWUSJEXPUQMVHP-GTWSWNCMSA-N 491.616 7.269 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 408860645 AXJVNDXWBQFFDU-XAYXJRQQSA-N 477.630 5.050 50 40 JKGB N#C/C(=C\c1ccccc1Cc1ccccc1Br)C(=O)Nc1ccc(Cl)c(Cl)c1 408875130 GDAPMNDNKNTSFM-LDADJPATSA-N 486.196 6.892 50 40 JKGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408906089 HGPBNJNRDVCMLQ-MOYYISEASA-N 474.344 5.061 50 40 JKGB N#C/C(=C/c1cccc(OCc2cccc(F)c2)c1)C(=O)Nc1ccc(Br)cc1 408939379 RZYCPOZMTFAAJQ-WQRHYEAKSA-N 451.295 5.713 50 40 JKGB COc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OCc1ccccc1 408953211 PCLWTVRKGWTFPR-HAHDFKILSA-N 451.526 5.021 50 40 JKGB N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 408956879 YYIXDFUXCWXJCC-JCMHNJIXSA-N 478.983 6.090 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C)c1ccccc1 408982421 XVNHMEZPFOSDJG-SWOYFSSUSA-N 480.996 5.384 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1cccc([N+](=O)[O-])c1 408985262 WBWJGCFYKWGRFF-GRSHGNNSSA-N 477.904 5.690 50 40 JKGB CN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)C2=C1CCCC2=O 409127529 NLZJZDPTKFCWIB-QFIPXVFZSA-N 498.808 5.411 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 409203707 XJSNHUYPTRSEJR-OCKHKDLRSA-N 450.281 6.416 50 40 JKGB O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)C(O)(c1ccccc1)c1ccccc1 409230034 AWVNWPJGMKAQAS-RGXNXFOYSA-N 477.539 5.215 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=N\NC(=O)Cc2ccc(F)cc2)cc1 409232506 IVADMUANCWLWBZ-WGARJPEWSA-N 455.327 5.168 50 40 JKGB N#C/C(=C/c1c(OCc2ccccc2C#N)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 409245606 WLKIDROQJVYEOC-HMAPJEAMSA-N 497.476 6.855 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1C 409254846 GCFTXDPTTUCGHY-XDHOZWIPSA-N 494.378 6.173 50 40 JKGB Cc1c(/C=N/NC(=O)CNc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 409360440 FLPAHZINXSYBDR-VVEOGCPPSA-N 499.829 6.520 50 40 JKGB O=C(NN=C1CCCCC1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 825724 ZZRHNJYIEYKAIB-UHFFFAOYSA-N 461.587 5.132 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)ccc1OCc1ccccc1 867516 BXAPYPFJLQOEAN-XDHOZWIPSA-N 461.449 5.257 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(SCc3ccccc3)NC3=C2C(=O)CCC3)cc(OC)c1OC 1476129 RUYFJRRDKVULKZ-HSZRJFAPSA-N 462.571 5.075 50 40 JKGB CCn1c2ccccc2c2cc(/C=N/NC(=O)CCCOc3ccc(Cl)cc3Cl)ccc21 1948600 HPRPDRRNDDWGTB-LQKURTRISA-N 468.384 6.431 50 40 JKGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(COc2ccccc2-c2ccccc2)cc1 2637693 YUNQECUREPHDKN-MTDXEUNCSA-N 451.482 5.605 50 40 JKGB O=C(CCc1nc2ccccc2s1)NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 3305214 LRCSCIBHXNEJPQ-UHFFFAOYSA-N 486.984 5.559 50 40 JKGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(SC(F)(F)C(F)(F)C(F)(F)F)c2)cc1 8386826 SSBMZHPSHDOZBN-LCYFTJDESA-N 478.389 6.123 50 40 JKGB CCCCCCCCCCCC(=O)N/N=C(/C)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 8398248 TZDPKJXTSBUWCO-OFWBYEQRSA-N 470.057 7.353 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc(Cl)c1OC(C)C 8812924 JKPHABQYGGREST-FOKLQQMPSA-N 469.763 5.061 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCc2ccccc2Cl)N1 8896684 KMGQGIJRUCYLMT-HSZRJFAPSA-N 478.042 6.670 50 40 JKGB C/C(=N\NC(=O)c1ccc(CSc2nncn2C)cc1)c1ccc2c(c1)Nc1ccccc1S2 9403906 BRFJBXSCOFHZCD-LQKURTRISA-N 486.626 5.470 50 40 JKGB O=C(N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)[C@H]1COc2ccccc2O1 12524103 PYPOOKHBSKHCQS-RYBVODPGSA-N 473.532 5.588 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)cc3Cl)nnc2-c2ccncc2)cc1 16804997 VJRAIBSHUFLXQZ-UVHMKAGCSA-N 497.411 5.187 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3cc(C)cc(C)c3)c2C)cc1 20243644 ZQBMMFRQLLGCEB-UVHMKAGCSA-N 498.490 6.165 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1ccc(Cl)cc1 33401935 FLNZZMBCTONRLJ-WQRHYEAKSA-N 486.768 7.283 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(Br)c3)[nH]c2c1 33681111 HQBSQPFNANBOEZ-MFOYZWKCSA-N 496.767 7.070 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1 36076641 IFWJPQYUHXEEJP-YBFXNURJSA-N 497.378 6.525 50 40 JKGB Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc2ccccc2c1 38194862 HTCWXVPKGSSAAB-QXPFVDMISA-N 473.576 5.634 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(I)cc3)n2)cc1OC 44827246 PNHGSZABBVOPQM-SDNWHVSQSA-N 489.338 5.408 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)c1C 59201430 FJQMPPQHZGMNAH-UDWIEESQSA-N 495.804 6.844 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1OCc1cccc(Cl)c1 59224672 AVDSRLXAIKBDEO-GZTJUZNOSA-N 498.322 6.035 50 40 JKGB CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 59334103 UFWFRXQCGFFWSZ-AUWJEWJLSA-N 454.151 5.330 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 83317333 UCLCCGRVUYPLES-HWIUFGAZSA-N 490.006 7.537 50 40 JKGB CCCCCCCCCCCCCCCCCC[C@H]1C(Cl)=C(Cl)C(=O)C(=O)[C@H]1Cl 101463444 SGDOMZCMJWILBP-FPOVZHCZSA-N 465.933 8.703 50 40 JKGB COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1Cl 107832086 BCNCOMHVVAWOGZ-VCHYOVAHSA-N 499.444 7.847 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408549957 CDSKFFRNFDNRSS-MXAYSNPKSA-N 483.951 7.233 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 408579596 IJPNMALUHSXCMS-QGOAFFKASA-N 474.365 6.224 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccc(Cl)cc4)c3)CC2=O)cc1C 408601582 BMJYJXQWGQYJAL-FQEVSTJZSA-N 463.965 5.032 50 40 JKGB O=C(N/N=C/c1ccc(Br)cc1)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 408724026 CONSBHIHFVIHEW-RDRPBHBLSA-N 495.380 6.219 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c1C 408791928 FKBJNSDACZEGPF-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 408804523 YARAAYZQANDRAI-WOJGMQOQSA-N 483.351 6.135 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 408820183 VXBTXVHCWPYMQG-UQQQWYQISA-N 471.560 6.075 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccccc1 408820710 ZJTSDIJVEBIREI-UNOMPAQXSA-N 495.348 6.112 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1Cc1cc(C)cc(C)c1 408864994 BASNIYCSDGVHSK-ZVHZXABRSA-N 473.016 7.054 50 40 JKGB Cc1cc(C)cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)c1 408886693 IGVKTMWYDNNZMF-FYJGNVAPSA-N 461.359 6.191 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc2ccccc12 408892469 ZUAFOKVSKXRQFK-KGENOOAVSA-N 473.359 7.271 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c(C)c1 408906515 CFUCYPNMWKCSMH-VULFUBBASA-N 454.910 5.088 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1ccc(F)cc1 409191767 MSWGCKQJINYKRG-WQRHYEAKSA-N 487.369 5.532 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(F)c(Cl)c1 409221540 RTHUCJQBTJSHFL-SXGWCWSVSA-N 461.846 6.451 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1C 409253066 AMSPQOFTGYPSKW-XDHOZWIPSA-N 494.378 6.173 50 40 JKGB CC1(CC(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)SCCS1 409259554 APRSIXFDZQTORZ-JVWAILMASA-N 459.640 5.879 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc(OCc4ccc(Cl)cc4Cl)c3)CC2=O)cc1 409262950 JRAZMZVWQKNRKE-ZVEFNMQLSA-N 496.394 5.384 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(OCC)c2)cc1OCC 409311293 FGVREOUIFFFIPU-CEUNXORHSA-N 476.573 5.616 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1F)c1ccc([N+](=O)[O-])cc1 409378374 OVNLOEWEVUEBJP-GZTJUZNOSA-N 496.292 5.578 50 40 JKGB Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)cc1 409394427 AHDONNKXLSMNQT-UHFFFAOYSA-N 487.559 6.435 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 1453294 PNCWQKQNCAIXQE-NTCAYCPXSA-N 455.297 5.976 50 40 JKGB CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 1743913 PKCIWGCEYKSKQP-MUUNZHRXSA-N 484.492 5.770 50 40 JKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)cc1 1812258 FJGVAOSDHKAHKU-RVDMUPIBSA-N 453.445 6.220 50 40 JKGB Cc1cc(C)c2nc(Cl)c(/C=C(\C#N)c3nc(O)c4cc(Br)ccc4n3)cc2c1 9090432 BGSGUDPUVTXQRR-OVCLIPMQSA-N 465.738 5.981 50 40 JKGB O=C(N/N=C\c1cc(/N=N/c2cccc(Br)c2)ccc1O)c1ccc(Cl)cc1 9972347 GBDQXSOXWFZDQL-LTKUWPENSA-N 457.715 5.987 50 40 JKGB N#CC1=C2SCN(c3cccc(C(F)(F)F)c3)CN2C(=O)C[C@H]1c1c(F)cccc1Cl 12251046 OPLHPBSPKBGRCB-CQSZACIVSA-N 467.875 5.717 50 40 JKGB CCOC(=O)/C(C#N)=C\c1cc(Br)c(OC(=O)C23CC4CC(CC(C4)C2)C3)c(OC)c1 15012181 FMVFWJVWDMHLRN-WSVATBPTSA-N 488.378 5.050 50 40 JKGB Cc1c(Br)c(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c(C)n1-c1ccccc1 20243837 YEYADLITMJPIAE-VBYICHLGSA-N 470.436 5.629 50 40 JKGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 20248068 FWFXMDSPJOQPTG-HDFIIFABSA-N 473.425 6.344 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(Br)c1O 31906007 NIZZDFRABDZMOQ-PQMHYQBVSA-N 457.305 5.080 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(Cl)cc3Cl)nc3ccccc3c2=O)cc1 32577056 DVRSANLGMFSEKE-WKIKZPBSSA-N 497.407 5.243 50 40 JKGB COc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)c1 33826384 ZYAUVZHLDAJQPT-OGCOBRASSA-N 469.566 5.069 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12 34760913 XXIKEEDSEGFRRP-OCSSWDANSA-N 476.536 5.206 50 40 JKGB CC(C)(O)c1ccccc1CC[C@H](Cl)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 34803897 VCNRAWNADFMASI-ZOYLIWTNSA-N 476.447 8.199 50 40 JKGB in-vitro Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1C 59202204 HDQRBTWVVXRNRK-UDWIEESQSA-N 451.353 6.735 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 59426559 BEQBGCYFFAFOAN-JVWAILMASA-N 452.938 5.019 50 40 JKGB Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1 59474266 UUYUMXZLEAAUCZ-STBIYBPSSA-N 454.595 6.111 50 40 JKGB C[C@@H](Cl)CN(Cc1cc(O)c(CN(C[C@@H](C)Cl)C[C@@H](C)Cl)cc1O)C[C@@H](C)Cl 104039218 IFUUBDRVHHROIC-KLHDSHLOSA-N 474.300 5.211 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1C 109018768 NQKQZUPDGGIERW-UXHLAJHPSA-N 480.568 5.979 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408565894 CFKZNPKFJBPLNT-OGLMXYFKSA-N 475.545 5.173 50 40 JKGB Cc1cccc(-n2cccc2/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c1C 408568934 LNXKWQVHCROIJN-MFKUBSTISA-N 451.617 5.102 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2F)c(Br)c1)c1ccc(Br)cc1 408581102 ULJHDZKULYJXQS-WOJGMQOQSA-N 487.166 6.994 50 40 JKGB COC(=O)c1ccccc1NC(=O)COc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1 408604997 KFEFTBPRXMWCDY-XSFVSMFZSA-N 480.524 5.048 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1 408743944 IMOFKKHGOFNBDF-OYKKKHCWSA-N 497.392 7.035 50 40 JKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2Br)c1 408792268 AHXYNENLGAXLKZ-LPYMAVHISA-N 475.386 6.499 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc(C)cc1 408857648 PCPSVHYVODVVJM-YKQZZPSBSA-N 468.553 6.211 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3cccc(F)c3)ccc3ccccc23)cc1 408867823 OBEZISKQFZUIOP-PTGBLXJZSA-N 450.513 6.514 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2F)cc1C 408876764 NMQCOLPWGRLTKT-UDWIEESQSA-N 479.349 6.330 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OC(=O)c1ccccc1 408885698 FEFQGMFAWHFWJI-XMHGGMMESA-N 491.341 5.613 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3)c2)c([N+](=O)[O-])c1 408887061 LRGWUBNTYKHVID-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1 408892822 CPPALUADRWCOCV-RPPGKUMJSA-N 477.731 5.395 50 40 JKGB C=CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1 409037912 OEVTUUHCVHTQRV-LQKURTRISA-N 489.000 6.536 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 409046309 JZCMCJZFQDGYNJ-RQZCQDPDSA-N 459.716 7.198 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1Cl 409053359 OWWLZNMVHNDXHW-LUOAPIJWSA-N 465.739 6.437 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409082616 JOKWLJTXNCLDGE-RIYZIHGNSA-N 492.831 6.163 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc2ccccc2c1 409123908 FTMKDHADUBJBIJ-MUUNZHRXSA-N 479.580 5.547 50 40 JKGB CCOc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OC 650405 NBDGAIAYJFOQRS-RPPGKUMJSA-N 478.496 5.006 50 40 JKGB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccccc1O 940848 KGYMQMMNQRGIDP-LFIBNONCSA-N 452.919 5.496 50 40 JKGB CC(C)=CCC1=C(OOC2=C(CC=C(C)C)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O 1701523 CRJRGAYADUGFTQ-UHFFFAOYSA-N 482.532 6.314 50 40 JKGB O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N/N=C/c1c[nH]c2ccccc12 1805432 HZNIIVLXLZHRBE-AUEPDCJTSA-N 474.036 5.208 50 40 JKGB CC(C)(C)[C@@H]1CCc2c(sc3nc(NNC(=O)c4ccccc4)n(Cc4ccccc4)c(=O)c23)C1 2183468 PDCVUUBXWAVVNP-HXUWFJFHSA-N 486.641 5.414 50 40 JKGB COc1ccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccccc1Cl 2769725 KEQMUOXTPUGDRA-NLFFAJNJSA-N 470.960 5.521 50 40 JKGB Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2ccccc2)c1Br 3096754 SWWZIAGGNHMGLS-LSHDLFTRSA-N 468.189 5.173 50 40 JKGB CCn1c(C)nc2cc(C(=O)NNC(=O)c3oc4ccccc4c3CSC3CCCCC3)ccc21 3297383 XEDNVRSVPAPUGV-UHFFFAOYSA-N 490.629 5.752 50 40 JKGB CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1 9019827 GBKFKGJDNZZFRB-JVWAILMASA-N 498.052 5.745 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1O[C@@H](C)CC 9259138 XFJQSGPERKBQBV-RONKMWSCSA-N 465.981 5.663 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(C(=O)OCc3ccccc3Cl)cc2)o1)c1nc2ccccc2[nH]1 9762918 OOCLWHPWZVOPKN-QNGOZBTKSA-N 479.923 6.897 50 40 JKGB COc1ccc2ccccc2c1[C@@H]1CC(=O)N2CN(c3cccc(Cl)c3C)CSC2=C1C#N 12250998 ATBWTYKUAFYQMV-LJQANCHMSA-N 476.001 6.030 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2C)cc1C 28216134 LWEGXQHCVHQJRB-DHRITJCHSA-N 450.564 5.003 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 32519862 FNRXTSRFBSHQEQ-DHRITJCHSA-N 468.003 5.771 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1 33679048 CYAHTAZMLODCEL-ZRGSRPPYSA-N 463.748 5.998 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c1 34746805 BEIGRCHBVPXIRW-NDENLUEZSA-N 458.359 6.585 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OCc1ccccc1Cl 59117463 AIHNUWSJNVGBOM-GZTJUZNOSA-N 487.770 6.780 50 40 JKGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccc(CSc2ccccc2)cc1 59473113 JAGCONIIBUYCNB-VUTHCHCSSA-N 466.562 5.962 50 40 JKGB CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 100839901 PUSNBRYOOZQRIC-QJOMJCCJSA-N 451.551 6.630 50 40 JKGB C[C@@H](CC[C@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1 108866607 PDXNCYRUWZPRJX-UIOOFZCWSA-N 454.534 6.809 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1 408580780 DXNHBVGDPHUVEE-LPYMAVHISA-N 460.360 7.798 50 40 JKGB CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(Cl)c1OCc1ccccc1 408609353 RALHKKAJNFRJQH-FQEVSTJZSA-N 493.991 5.122 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3C)cc2-c2ccc3ccccc3c2)cc1 408723928 AOIPZFZUOZNGKZ-UXHLAJHPSA-N 489.535 5.981 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(F)cc1 408735673 VZERAMGCYFBUOZ-XDHOZWIPSA-N 450.897 6.002 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 408779049 PWHAZFGBTIBEIV-XLNRJJMWSA-N 482.967 7.017 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1Cl 408790353 VUOMKGDTZXAZLR-GIJQJNRQSA-N 455.316 6.566 50 40 JKGB COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 408792021 GPVROFWARIKVKD-IZZDOVSWSA-N 470.548 5.419 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(C)c(C)c1 408809249 RCXVYGYJGXIXKH-UFFVCSGVSA-N 495.406 7.052 50 40 JKGB C#CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(C)cc2)cc1 408823235 NIMGOQSUCJKKGM-PXLXIMEGSA-N 456.929 5.785 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)ccc1OCc1cccc(C(=O)O)c1 408848668 SDYTYKNYEMWJNS-JMIUGGIZSA-N 453.416 6.055 50 40 JKGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 408849003 XQBVCAHEGQITKP-RPPGKUMJSA-N 476.945 5.700 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1ccc(Br)cc1 408896155 PMSNOMSUACYAED-LDADJPATSA-N 467.750 6.227 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 408900010 SFSHVXVACASTMQ-XDHOZWIPSA-N 482.367 6.123 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 408925351 RITOICGJGBEALU-VCHYOVAHSA-N 495.894 5.829 50 40 JKGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1 409132620 KHXXQKYJYAINPO-DFVFNMDZSA-N 454.595 6.358 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cccn3-c3ccc(Br)cc3)cc2c1 409186820 IHCXLUWDUXRHBZ-OYKKKHCWSA-N 452.308 5.149 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccccc1Cl 409196344 ZDTYDTHJDOYQSI-LICLKQGHSA-N 489.797 5.656 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl 409267264 MVEADFNZDCFTPK-LICLKQGHSA-N 496.350 5.571 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)cc1OCC 409330422 AAOOHLJIQCVYCG-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccccc2Cl)c(Cl)c1 669275 NOISPEWQGVVQES-QFIPXVFZSA-N 469.368 6.023 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1 1839602 RNVUYYDHPYAZOY-AUEPDCJTSA-N 468.797 5.168 50 40 JKGB Cc1ccccc1[C@@H]1C(/C=N/NC(=O)c2ccc([N+](=O)[O-])o2)=C(c2cccs2)Oc2ccccc21 1843080 LEIZNISBCKBCDK-SJUCLPJRSA-N 485.521 5.909 50 40 JKGB Cc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)c(C)n1-c1ccccc1Cl 3350171 QNKXKOQMYCBHLZ-CCVNUDIWSA-N 456.933 5.011 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-] 12566939 TWRSOSHQIRGDGG-CAPFRKAQSA-N 463.449 5.513 50 40 JKGB CC(C)OC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 17113483 RLFIDXQVQXVWTA-SFQUDFHCSA-N 491.956 6.112 50 40 JKGB COc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 20207215 RUEQPCKZOYERFP-UHFFFAOYSA-N 492.041 5.069 50 40 JKGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)COc1ccc(C(C)(C)C)cc1 23410970 FBKBNIDRNOJXBU-FOKLQQMPSA-N 498.215 5.047 50 40 JKGB CC(C)c1ccc(OCC(=O)N/N=C\c2cc(Br)ccc2OC(=O)c2ccccc2)cc1 31830382 NMNWKHYZXBYNEV-DICXZTSXSA-N 495.373 5.321 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(-c4ccc(F)cc4)o3)o2)cc1 34878486 AXMNVWXQWPKRSP-LJUMEUDFSA-N 497.526 6.429 50 40 JKGB CCCCCOc1ccc(CN2C(=O)/C(=N\NC(=O)c3ccccc3Cl)c3ccccc32)cc1 46085111 PYTUSHBOHJFZGC-GNVQSUKOSA-N 475.976 5.590 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 59334883 NVWTZWYMUMQXEQ-ODLFYWEKSA-N 459.373 5.695 50 40 JKGB COc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)ccc1OCc1ccccc1 59401557 TXDHRYGPMJWZON-WGOQTCKBSA-N 454.979 5.560 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1cc(Br)ccc1O 59410842 QJLKUFMNIFDRLC-WYMPLXKRSA-N 459.727 5.151 50 40 JKGB Fc1c(F)c(C(Cl)(Cl)Cl)c(F)c(F)c1C[C@@H](Br)CBr 103534261 PGUSOCQBQVPKPD-GSVOUGTGSA-N 467.309 5.771 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc2ccccc2c1 107846417 WEURTSGAIWHHSR-QFEZKATASA-N 483.951 7.233 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc21 223486647 GVFPPEYUCWFDKD-ODLFYWEKSA-N 464.407 6.405 50 40 JKGB CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(C)C)CO[P@@](C)(=O)F 299817377 ZLEFMXNNQCABDB-XDEQJNTQSA-N 478.626 8.170 50 40 JKGB in-vitro Cc1c(C(=O)NN=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)sc(N)c1C#N 408729561 GVNSTVKLMNRANE-UHFFFAOYSA-N 452.845 5.207 50 40 JKGB O=C(N/N=C/c1cc(Cl)ccc1O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 408743381 WESOWAPOCBCKRY-UZWMFBFFSA-N 491.978 6.934 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(OCc2cccc3ccccc23)c1 408806122 AKDCQKVJDIMRIH-PXLXIMEGSA-N 468.940 6.626 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1ccccc1F 408809798 JFNFXWKRELSNPI-NDENLUEZSA-N 491.349 7.410 50 40 JKGB COc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)cc1 408841707 GYJWFYPTRVQYFB-UHFFFAOYSA-N 493.972 5.199 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(C)c1OCc1ccc(F)cc1 408851764 NSYWIMRDUBJPIJ-MFKUBSTISA-N 450.513 6.720 50 40 JKGB N#C/C(=C/c1cc(Br)c(I)o1)c1ccc(C(F)(F)F)cc1 408853340 RFKGMVUIJWMBIS-UITAMQMPSA-N 468.010 5.730 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1OCc1ccccc1Cl 408887948 VGCNGRHROTUWOG-QGOAFFKASA-N 497.776 6.236 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1cc(C)cc(C)c1 408887958 VJZLZZOFAGSGGI-SRZZPIQSSA-N 495.406 7.134 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccc(F)cc1 408890256 QKKWMMUPYJHCPZ-UDWIEESQSA-N 475.476 5.566 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1 408891449 QQGHRDLONGHECD-HMMYKYKNSA-N 452.897 6.258 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OC(=O)c1ccccc1)C(=O)Nc1cccc(Cl)c1 408899256 ORISOMLKGRQXSG-GZTJUZNOSA-N 481.733 5.867 50 40 JKGB CCOc1ccc(N([C@@H](C)C(=O)NN=C2CCCCCCCCCCC2)S(C)(=O)=O)cc1 408921489 IEURXBYDMVYKHW-FQEVSTJZSA-N 465.660 5.017 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1C 408941626 XKOVDAJDCHGPAK-BKUYFWCQSA-N 461.359 6.191 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1cccc(C)c1 408966498 OTZRPHUEINJBMV-UVHMKAGCSA-N 493.903 5.654 50 40 JKGB CCCOc1ccc2ccccc2c1C=NNC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl 409020660 RSMKELTZPRTRPV-UHFFFAOYSA-N 459.977 6.453 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OCc1ccccc1F 409069782 WOEJXSBZWPHCOO-KGENOOAVSA-N 476.935 6.341 50 40 JKGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccccc2Cl)cc1 409222632 CRWVZUXQJQRDQA-MUXKCCDJSA-N 498.366 5.571 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409237346 TWBSQUNQCDLAOH-APTWKGOFSA-N 483.631 6.394 50 40 JKGB Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 409267225 UEDYSUQCGUBKBX-MUFRIFMGSA-N 498.410 6.140 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)ccc1OC 409309888 NQAGEIJSMWZMIM-MUXKCCDJSA-N 486.927 5.238 50 40 JKGB N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ccccc1I 1453317 DUAZBJXBQJHWBJ-ACCUITESSA-N 474.685 5.750 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)o3)n2-c2ccc(Cl)cc2)cc1 1831811 MBRAIGSICZPZJU-DHRITJCHSA-N 465.966 5.040 50 40 JKGB COc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1 2264485 XYHFKKGQIDSLSC-UZEPBSNMSA-N 483.593 5.377 50 40 JKGB COc1ccc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(Cl)cc1 2768400 RUSDJUYRFKGANO-WIOPSUGQSA-N 470.960 5.521 50 40 JKGB N#CC1=C(SCC(=O)c2cccc(Cl)c2)NC2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 3248527 VOGFKIQHURYVQW-QFIPXVFZSA-N 452.938 5.524 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1C 3772282 UTCJORFSWVNLHK-UDWIEESQSA-N 474.391 7.159 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)n1-c1cccc(Cl)c1Cl 9261979 VEGBLEOUAGDMAI-XODNFHPESA-N 467.356 5.478 50 40 JKGB COC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1 9354754 BKLWVQHHOMYHBB-NRFANRHFSA-N 488.396 5.234 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1ccccc1 9667608 SRZONCUGMVYNER-MFKUBSTISA-N 453.336 5.191 50 40 JKGB CCCCOC(=O)CSC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)C2=C(O)CCCC2=N1 13174801 HJCYKJAROYEMPY-IBGZPJMESA-N 465.402 6.339 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3)c2C)c(C)c1 20243611 CNFDDQNSUOTDRN-LGJNPRDNSA-N 484.463 5.857 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)c(C)n1-c1cccc(Cl)c1Cl 28215993 VTCHXJKCLJYXAJ-KBKYJPHKSA-N 480.848 6.438 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(C(F)(F)F)cc3)n2-c2ccccc2)cc1 31870535 GXAVNFQXSFWKCO-FDVSRXAVSA-N 495.530 5.504 50 40 JKGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 32520597 WSXBJFQKYKIWMQ-RPPGKUMJSA-N 485.396 5.691 50 40 JKGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC 33775915 JOVARZGUWVYNQC-YKQZZPSBSA-N 499.567 5.603 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC 34716414 PBZDRWFKYIUUKZ-QGOAFFKASA-N 457.368 5.962 50 40 JKGB COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)ccc1OCc1ccc([N+](=O)[O-])cc1 34806087 MFIQZDONJXSZOW-XDHOZWIPSA-N 475.551 6.449 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C)c3)c(OCC)c2)cc1 59224665 QNULCARUUXMOOE-KQWNVCNZSA-N 456.542 5.917 50 40 JKGB Cc1ccc(/C=C(/C#N)C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)cc1 67321631 FXTNDRZPXFXGSK-JRFVQPTRSA-N 457.577 6.725 50 40 JKGB CCOC(=O)c1c(NC(=O)[C@H](Br)CC)sc2c1CC[C@@H](c1ccccc1)C2 74941535 XUFBZUQBAGXDBC-GDBMZVCRSA-N 450.398 5.309 50 40 JKGB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100844470 OVJOEFOKERIQPI-RVVSJWLRSA-N 459.590 5.985 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c1 408543716 QKSWDRCOHSQCFX-JAIQZWGSSA-N 491.341 5.580 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 408581918 ZXHVVPWSJHCJBI-XSFVSMFZSA-N 453.947 5.879 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3C)cc2-c2cccc3ccccc23)c1 408728062 ZMWFZZSTERJBLY-UXHLAJHPSA-N 489.535 5.981 50 40 JKGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c(C)n1-c1ccc(F)c(Cl)c1 408820052 UUAWEIALDVNXGR-XFBXUWOASA-N 458.928 5.094 50 40 JKGB O=C(COc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1)Nc1ccccc1Cl 408836461 RLHDVZUGRCLHBY-DXJNIWACSA-N 497.982 5.640 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1 408837322 CHCPFUBAMDQSQO-DHRITJCHSA-N 498.333 5.017 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)c1OS(=O)(=O)c1ccc(C)cc1 408892359 AQZKXBAHQZNBAP-XMHGGMMESA-N 496.972 5.279 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc2ccccc2c1 408893150 FUFNWEWDSXYXRV-RWPZCVJISA-N 493.788 6.599 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(C#N)cc2F)c1 408966071 JTBGMXDTTLOVHP-UVHMKAGCSA-N 466.310 5.111 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(OC)c1OCc1ccc(F)cc1 409017041 VQTBEKQJLOLQIN-MNDYBZJGSA-N 492.934 6.305 50 40 JKGB Cc1ccc(CN(c2ccc(C(=O)NN=C3CCC(C(C)(C)C)CC3)cc2)S(C)(=O)=O)cc1 409028950 VJLRTVIDYJFOKS-UHFFFAOYSA-N 469.651 5.283 50 40 JKGB CC(=O)Oc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br 409034482 NXXNRSDQQOSXBR-JFLMPSFJSA-N 488.341 5.354 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(Br)cc1OCc1ccc(C)cc1 409139739 BTMKTGJKKNMXMF-DEOSSOPVSA-N 493.357 5.269 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1ccc2ccccc2c1 409221666 UNXXCKZBKUZMHT-YKQZZPSBSA-N 456.517 5.649 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1cccc(C)c1 409225596 NCFWBVDQCAQFOS-XYGWBWBKSA-N 489.015 6.282 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OCC)c1OCc1ccc(F)cc1 409238759 NSGOSENQXHQMIN-UGHLTKRUSA-N 484.571 6.316 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1OCC 409310431 UTVVVKWYIHSLKF-RHANQZHGSA-N 480.536 5.365 50 40 JKGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1Cl 409320926 FUUJWJLDKBPHAK-MWLSYYOVSA-N 499.394 6.300 50 40 JKGB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@@H](Cl)[C@@]2(Cl)C1 627260065 JFNJWGVLTHTDCN-QPQZNLSGSA-N 499.607 8.618 50 40 JKGB ClCCN(CCCl)c1ccc([C@@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 1722205 MDMIUDPJRKMOFJ-WUFINQPMSA-N 477.435 6.894 50 40 JKGB COc1cc([C@H]2C(C#N)=C(SCc3cccc4ccccc34)NC3=C2C(=O)CCC3)ccc1O 2203651 AUQFLDJUIXQQFT-SANMLTNESA-N 468.578 5.916 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(-c2cccc(Br)c2)o1 2280267 FCHBFGPWLDFRQS-AUEPDCJTSA-N 468.134 5.545 50 40 JKGB Cc1c(Cl)cccc1-n1c(C)cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 2300234 SGUOLUTUGUHBRI-HYARGMPZSA-N 456.977 5.803 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@H](c3ccc(F)cc3)Nc3ccc(Cl)cc3[C@@H]2[C@@H]1Cl 9035479 ZFEGTITZQRQEDZ-JCTDHXFVSA-N 489.399 7.426 50 40 JKGB N#C/C(=C\C1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1)c1nc2ccccc2s1 9090382 ZABSYIPSRRDTNB-UFDHTVHMSA-N 470.554 5.575 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccccc1Cl 13661924 DKWQHHXTBLRGMI-UUYOSTAYSA-N 483.471 5.770 50 40 JKGB N#C/C(=C\c1ccc(I)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 13739527 YPVGRYJPWQKVQM-KPKJPENVSA-N 472.263 5.178 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1C 15018821 WJFXIDPUPSWXKZ-XSFVSMFZSA-N 489.959 5.610 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c(C)c1 16736016 UNCACSVNYXQJQH-MOHJPFBDSA-N 488.591 6.575 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2c(-c3ccccc3)nc3ccccn23)sc2c1CCCC2 16742620 LHEGRLNQTXRXGU-KNTRCKAVSA-N 496.592 5.664 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@H](C)SCc3ccccc3)c2C)c(C)c1 20243846 DRKYEUKHNXTCAQ-SODVTCOWSA-N 498.490 6.245 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccccc1 33633319 DRZNBGHJDUBEPH-WQRHYEAKSA-N 485.296 6.082 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1O[C@@H](C)CC 33717932 MNCDRCLHDXQORV-DUPVFGOHSA-N 487.350 5.269 50 40 JKGB N#CC1=C(N)O[C@H]2[C@@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl 35183007 HUXGBZDILHAPAC-MDZRGWNJSA-N 453.251 5.182 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c1 59198853 VYJLOPPUIPTDHB-UDWIEESQSA-N 495.804 6.844 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 59201347 KMFVESDLANMBBS-MTJSOVHGSA-N 495.406 7.134 50 40 JKGB CCCCCCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1 97981401 NBEWXRCHXPBGMV-FLFQWRMESA-N 450.598 7.671 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1Cl 408539077 SLPXQKLPALKHHA-QGOAFFKASA-N 461.389 6.897 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Br)c1OCc1ccccc1 408724520 FGJUWTLQLBZRCO-CBYAMXAJSA-N 485.422 5.703 50 40 JKGB Cc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)c(C)n1-c1ccc(Br)cc1 408767788 OHCALOGBNRTJHM-MSXFZWOLSA-N 499.459 5.709 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc(C)c1 408798695 WRLHJCZGVBWHEF-LPYMAVHISA-N 460.961 6.480 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(O)cc1 408803365 OANGBZFTJNVRPP-CXUHLZMHSA-N 473.743 6.477 50 40 JKGB Cc1cc(/C=N\NC(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408853069 YJOBZUIRMHFUGT-MYKKPKGFSA-N 489.757 5.364 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(Br)c2)c(C)c1 408868896 QMCQKXJLDZRYSZ-CIAFOILYSA-N 479.805 6.856 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccccc1Cl 408890870 HRNDZDDVAFHZBN-YBFXNURJSA-N 477.904 5.690 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC(=O)c1ccc(C)cc1 408891272 NWFVSYGWVJVUHW-WOJGMQOQSA-N 491.887 5.330 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 408898442 LIDUVMINNRBQOL-DEDYPNTBSA-N 495.804 6.790 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408898593 XGICVTPMMJYZKZ-YRNVUSSQSA-N 473.228 5.615 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1cccc(F)c1 408985876 YPHYFRNNCNKSQF-XKZIYDEJSA-N 460.936 6.641 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccc(Cl)cc1 408992439 RZMLFYOEDZEQBS-UYRXBGFRSA-N 471.725 6.588 50 40 JKGB O=C(N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1ccc(Cl)cc1 409194186 OBISXQHDJNETOO-RWPZCVJISA-N 493.788 6.599 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 409242021 ZZJZFFVVDYXJNT-ZRGSRPPYSA-N 476.291 5.313 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(c1ccccc1)c1ccccc1 409390975 GLNYMVAAXFKPKA-FSGOGVSDSA-N 499.408 6.310 50 40 JKGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)[C@@H]2CCCC=C12 1085020 XRHRIXOKQSCKNC-HYBUGGRVSA-N 485.931 5.421 50 40 JKGB O=C(CCCCC(=O)N/N=C/c1ccc(Cl)cc1Cl)N/N=C/c1ccc(Cl)cc1Cl 1681410 RCIRGEVFVFPDPP-KOZSXFMUSA-N 488.202 5.461 50 40 JKGB CCOc1ccccc1/C=N/NC(=O)CSc1nnc(SCc2ccccc2Cl)s1 1836105 WUYDWZIEYLDTBY-SSDVNMTOSA-N 479.052 5.125 50 40 JKGB N#CC1=C(N)OC2=C(CCC/C2=C\c2ccc(Br)cc2)[C@H]1c1ccc(Br)cc1 2111199 JBVAZYLNOKGSLO-CZIOWHBQSA-N 498.218 6.541 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)sc2c1CCCC2 2202525 DTTPVUVNVMMBTG-LGMDPLHJSA-N 463.628 6.521 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCc3ccccc3)N(c3ccccc3)C2=O)cc1C 2225855 UWQAUBASAGTUEK-IEQIIXMPSA-N 467.594 5.046 50 40 JKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)c(C)c1 2308365 DNQSTZCGAYWJEK-RVDMUPIBSA-N 467.472 6.529 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1 2318518 OXQLIKGMQANCTB-DEOSSOPVSA-N 478.976 5.769 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 2334688 GPMSFHKLFMHANB-NLTRVXJZSA-N 453.567 5.368 50 40 JKGB CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)sc2c1CCCC2 2349817 DNPZAKXONVZBAD-GHRIWEEISA-N 478.545 6.137 50 40 JKGB C=CCN1C(c2ccc(Br)cc2)=CS/C1=C(/C#N)c1nnc2n1CCCCC2 3180220 ABIZACQHQWOGFM-FXBPSFAMSA-N 454.397 5.193 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2c(OCc3ccccc3C#N)ccc3ccccc23)c1 8811207 ANTSLEVCYCTQQC-OCSSWDANSA-N 465.509 5.072 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc(Br)c1OC(C)C 13939810 UERVBLWSCKDEKC-CXUHLZMHSA-N 459.340 5.189 50 40 JKGB CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 20170478 ZDBQUVCOHWGLTC-SILNSSARSA-N 481.021 5.939 50 40 JKGB O=C(CCCCCCCCC(=O)N/N=C/c1ccc2c(c1)CCC2)N/N=C\c1ccc2c(c1)CCC2 33600589 FOUVZCAFPUVDLK-MXEGIGMXSA-N 486.660 5.385 50 40 JKGB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C 35635710 MFEGXCLQSLHLPH-HAJWRMEISA-N 453.406 5.217 50 40 JKGB in-vitro N#CC(=C\c1cn(CCOc2ccc(Cl)cc2)c2ccccc12)/C(O)=N/c1nc2ccccc2s1 41120705 ZWMNDSYAMXFTJR-OBGWFSINSA-N 498.995 7.179 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 59117590 JOJJFZWOZWWANY-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2F)c1 59536366 FDRWTPSOWKSPBX-XDHOZWIPSA-N 465.322 6.021 50 40 JKGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccccc3F)c(OCC)c2)cc1 83301280 XAAUMCRQWMKAPL-IONSAMEVSA-N 494.563 5.166 50 40 JKGB CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(O)CCCC3=N2)cc1 102584599 CIWKGKNXYKKICX-XMMPIXPASA-N 461.587 6.263 50 40 JKGB CC(C)N1c2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2[C@H](C)CC1(C)C 260565113 GXCSJYSURZEFLX-SPMKTWQFSA-N 454.618 5.934 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)c(C#N)c1C 408546408 IWZRGLFNZRTHNP-FYJGNVAPSA-N 470.550 5.403 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 408548301 FXSYWORHKNULMG-DXJNIWACSA-N 479.583 7.762 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3Br)c2C)cc1 408742596 BGNMTGAMKAIETP-RGEXLXHISA-N 464.363 5.801 50 40 JKGB C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC 408795113 LGCWNFXDAAFKNR-NTEUORMPSA-N 494.716 5.064 50 40 JKGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 408802253 XVHUTXZWTIQUEK-RCCKNPSSSA-N 489.369 6.139 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccc(C)cc1 408817246 XLXUJWSRRPPUSN-ODLFYWEKSA-N 495.348 6.030 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1Cc1ccccc1F 408868329 LYGWGPIJBOHXSD-DEDYPNTBSA-N 479.349 6.123 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccccc1Cl 408888477 VVNMDPULGCYRHT-LICLKQGHSA-N 498.322 6.035 50 40 JKGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1)c1cccc(Br)c1 408888498 WCWXIXBNBHCFQZ-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OS(=O)(=O)c1ccccc1 408891759 UWPCTWVLNDAHIK-LTGZKZEYSA-N 484.533 5.162 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(N3CCOCC3)cc2)cc1 408941150 JWWDYNINVFZAOM-OFWBYEQRSA-N 464.569 5.053 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)cc2Cl)c1 408964840 FGNZZRIJRGMQSC-KVSWJAHQSA-N 456.304 5.656 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Br)c3)c2C)cc1Cl 408984440 RAZIEWLFFXJPBS-ZDLGFXPLSA-N 468.782 6.364 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(C)C)c(Br)c2)c1 409046205 JNKQKRKITBEMJF-LZYBPNLTSA-N 492.211 6.101 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409072234 UMVMCEQGMVQDPZ-SFQUDFHCSA-N 485.315 5.189 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)cc1 409248905 FXSOZSJRSDNTQD-CJLVFECKSA-N 469.541 5.265 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1OCC 409317787 VTFHBNOLISYUQF-NTFVMDSBSA-N 482.964 5.489 50 40 JKGB CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)cc(Cl)c3)=C2C#N)cc1 409324609 UCXQMSWSAHCZBU-KRWDZBQOSA-N 478.426 5.426 50 40 JKGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)=C2C#N)cc1 639229 FCPVSASPIGRKBF-OAHLLOKOSA-N 479.911 5.378 50 40 JKGB CN(C)c1ccc(C(=O)N/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 2051745 WHCWLHDXQNFGII-STBIYBPSSA-N 457.961 5.902 50 40 JKGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1Br 6073530 YOGDXKYKWPRXDL-ZMOGYAJESA-N 488.179 5.694 50 40 JKGB O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccc(OCc2ccccc2)cc1 9231867 GWGSGCRPTNNPCU-WPWMEQJKSA-N 494.389 5.287 50 40 JKGB C/C(=N\NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)c1ccc2ccccc2c1 15912350 HFKJIPAZUCAWOA-NJZRLIGZSA-N 450.582 6.870 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 16480439 XYZPJBKXYMIWJL-XIEYBQDHSA-N 494.978 7.044 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)c(C)c1 16804885 ACIAFMACRRIXSA-NMWGTECJSA-N 482.628 6.383 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccc(C(=O)O)cc1 98086615 ZHEXFBYYHTUNDU-MTJSOVHGSA-N 453.498 5.530 50 40 JKGB O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1Cl)Oc1ccc([N+](=O)[O-])cc1 103593039 CEMZPEJKCZQJCZ-LFYBBSHMSA-N 488.721 6.209 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1 108895729 WUTOQOOEYWVNKF-NHDPSOOVSA-N 493.357 6.708 50 40 JKGB Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C(/C#N)c3nc4cc(C)c(C)cc4[nH]3)cc2)cc1 108997190 NIWJMGZMPQDELX-HMAPJEAMSA-N 464.525 5.348 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1 139412714 JSPIUVQJYWFRQT-XDHOZWIPSA-N 467.352 6.435 50 40 JKGB COc1ccc([C@@H]2[C@H](C(=C(C#N)C#N)C3CC3)[C@@H]3c4ccccc4C=CN3[C@H]2C(=O)c2ccccc2)cc1 245283973 PKOCHAJLNMAWDA-OKDNLZPVSA-N 497.598 6.441 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cc(C(=O)O)ccc3C)o2)c(C#N)c1C 408547203 UXBQXJCWABTKEO-RQZCQDPDSA-N 488.521 5.090 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccc(Cl)c(Cl)c1 408588935 XHNFNNRQBAPQKL-LICLKQGHSA-N 472.202 8.367 50 40 JKGB Cc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c(C)n1-c1ccc(I)cc1 408599181 PRMLBXIYNHZMDP-XDHOZWIPSA-N 496.377 6.232 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)c1 408746127 RDMVDYVDXNAPRN-ODLFYWEKSA-N 497.378 6.525 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408746395 YVSLWFISVOBFSH-BOPFTXTBSA-N 474.429 5.158 50 40 JKGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 408775189 ORMXIYZBIHAXPJ-ULJHMMPZSA-N 469.585 5.975 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1F 408793547 FRQYGHAZBVXSSP-RQZCQDPDSA-N 471.315 6.266 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1 408798902 XMZZVNIPGMFGBB-FYJGNVAPSA-N 461.359 6.191 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OCc2ccc(Cl)c(Cl)c2)c1 408801925 WUNXKJIIGPWVTI-GZTJUZNOSA-N 487.770 6.780 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(OCc2cccc(C)c2)c1 408818382 XTHMQCKEOCKKKZ-DEDYPNTBSA-N 477.358 5.891 50 40 JKGB COC(=O)c1cccc(-c2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)o2)c1C 408851779 NZGMPLKINKNCEZ-ROTLSHHCSA-N 481.302 5.314 50 40 JKGB CC(C)c1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 408855634 HPURIDCXIVGBKX-YSURURNPSA-N 479.389 5.321 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2Cl)c1 408868762 BEPLGUQKABXBHC-DEDYPNTBSA-N 465.778 6.547 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Cc2cccc(F)c2)c1 408869820 RRGTWDUETUCJGU-NLRVBDNBSA-N 492.550 6.550 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc([N+](=O)[O-])cc1 408896135 PFMUNELDKGRMFU-XQNSMLJCSA-N 493.519 6.271 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)CSc3nc4ccccc4s3)c2C)c1 408966275 LBLMDCKIAMUJRB-WGARJPEWSA-N 492.626 5.123 50 40 JKGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(CSCc2ccccc2)cc1 408995259 LNYWYTZWLZCVID-WPWMEQJKSA-N 476.602 5.638 50 40 JKGB O=C(N/N=C/c1cc(Cl)ccc1OCc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 409032772 DFGCPXKRYYYXIO-BIZUNTBRSA-N 491.978 6.898 50 40 JKGB CC(C)OC(=O)c1cccc(-c2ccc(/C=N/NC(=O)COc3ccc4ccccc4c3)o2)c1 409174693 NYHYMZPCLYMNMV-LQKURTRISA-N 456.498 5.194 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc(F)c1 409202288 QSCJBNKEXBFZEO-GRSHGNNSSA-N 452.869 6.429 50 40 JKGB CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)CC(=O)N1 409310795 WMWAJCLZLUDYGX-SFHVURJKSA-N 484.419 5.031 50 40 JKGB Cc1ccc([C@@H]2C(C#N)=C(n3cccc3)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CCC3)s1 1432880 OYGKPJKBNMURBF-DEOSSOPVSA-N 470.554 6.078 50 40 JKGB N#C/C(=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc(F)cc1 1439516 APQQLOVCZHEHIR-LGMDPLHJSA-N 465.278 5.353 50 40 JKGB CCn1nc(C)c(/C=N/NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)c1C 2776252 NWHKZRCZEXZQJG-UVHMKAGCSA-N 466.372 5.806 50 40 JKGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 3143646 TUTRCCJLJYGBAB-HNSNBQBZSA-N 495.667 6.933 50 40 JKGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 8569310 VSRGJCYOPHCZLB-XMMPIXPASA-N 464.525 5.273 50 40 JKGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 8843165 CIJOJKPFGGWEMZ-XGVLDKRDSA-N 484.408 5.532 50 40 JKGB Cc1ccc([C@@H]2C(/C=N/NC(=O)c3ccc([N+](=O)[O-])o3)=C(c3cccs3)Oc3ccccc32)cc1 12436455 ODNHHTAAZORKBW-SJUCLPJRSA-N 485.521 5.909 50 40 JKGB N#C/C(=C\c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)NC1CCCCC1 13810850 IDNZEXRPEOZJPL-NTCAYCPXSA-N 483.355 5.149 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 14131264 WRQRJIPCLABXBN-JAIQZWGSSA-N 479.330 6.318 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1nc2ccccc2[nH]1 22711228 TVNCDPZOYICHQA-GZTJUZNOSA-N 475.302 5.877 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)c(C)n1-c1ccc(F)cc1 28216125 OPGFGLUHJYSSDN-BRJLIKDPSA-N 474.399 5.379 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1ccccc1C#N 33422897 MUFKPMANPFEBIR-JMIUGGIZSA-N 499.368 6.157 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 33890387 KDRYWROBBXMTDL-RGEXLXHISA-N 460.364 6.851 50 40 JKGB N#C/C(=C\c1cn(Cc2c(F)cccc2Cl)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 59087265 OEYLPKWVMRERSM-WOJGMQOQSA-N 487.918 5.434 50 40 JKGB Cc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 59117534 UOOYXZSLEOENRA-WOJGMQOQSA-N 451.309 6.067 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccc(Cl)cc1 59272360 GEXACFQZKQGAHV-JCMHNJIXSA-N 460.961 6.426 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccccc1F 59536336 JFRSVDULMWMWGY-UDWIEESQSA-N 464.924 6.311 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 95611987 JZVXOJQKCLCRAG-UHFFFAOYSA-N 462.469 5.084 50 40 JKGB O=C(Br)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 97949851 WQELDDKOSOQCBX-UHFFFAOYSA-N 476.961 5.282 50 40 JKGB Cc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1 408580389 PDDPPBZYQFXKHI-CPNJWEJPSA-N 454.345 5.589 50 40 JKGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 408724030 CPHQNWJXSNERBM-STBIYBPSSA-N 460.493 5.185 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3Br)c2)cc1 408760749 FJBLJFCAQNXEII-QGOAFFKASA-N 497.370 5.071 50 40 JKGB C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 408768948 MRSDQPUMYQXDPP-ZXVVBBHZSA-N 484.021 5.199 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 408806183 BBHGJHKQKFEOOI-WOJGMQOQSA-N 453.325 6.127 50 40 JKGB O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccccc1Cl 408850987 SVWANXWZVSTUPD-LSHDLFTRSA-N 470.175 6.264 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 408866321 GTEKWLQCFGMZJL-PXLXIMEGSA-N 472.466 6.983 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Cc3cccc(F)c3)ccc3ccccc23)cc1 408874148 ZEBCPCBSGAFWFZ-HKOYGPOVSA-N 478.523 6.292 50 40 JKGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408878824 BPXWTIOEZHKBAH-SSPMSMSOSA-N 454.401 6.273 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 408897814 UDWUNFSMCFOVKH-RQZCQDPDSA-N 474.841 6.623 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1 408900091 SQCLPBMLVDPKCL-GHRIWEEISA-N 461.861 5.322 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1c(C)cc(C)cc1C 408986249 PCKBPQVNWACZIL-HYARGMPZSA-N 474.988 6.789 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2F)c(Br)c1 408989671 UYFUZJJWENCHDE-WQRHYEAKSA-N 499.767 6.675 50 40 JKGB C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 409063880 AJMMOSSQDWKOMV-CPNJWEJPSA-N 456.464 5.943 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409083187 NRIGIQJQUXYRHZ-SFQUDFHCSA-N 497.429 6.350 50 40 JKGB Cc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1 409224019 JYQVIAVEOLXHTP-MBTHVWNTSA-N 477.948 5.226 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)cc1 409227108 XLRYGKFASCDFQX-LDADJPATSA-N 480.351 5.865 50 40 JKGB Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)c1 409396823 BPGUIIHPSNBQPL-UHFFFAOYSA-N 498.542 5.998 50 40 JKGB COc1ccccc1OCCn1cc(/C=C(\C#N)C(=O)NCc2cccs2)c2ccccc21 781441 LOSWZPVVHSHANR-XDJHFCHBSA-N 457.555 5.014 50 40 JKGB aggregator N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 1888775 KHADTKVHOWSOBV-YMGIJWJESA-N 491.975 5.222 50 40 JKGB C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1ccccc1Cl 2100579 VOFDKGXPZWSIGK-RWPZCVJISA-N 491.020 5.125 50 40 JKGB C/C(=N/NC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 8398502 JYEULYYQJYPRKW-NVJOKUIPSA-N 495.193 6.707 50 40 JKGB CCN(CC)c1ccc(C(=O)NNc2ncnc3scc(-c4ccc(Br)cc4)c23)cc1 13133838 PNZXIXNGBLTHGB-UHFFFAOYSA-N 496.434 5.724 50 40 JKGB O=C(N/N=C/c1cn(Cc2c(F)cccc2Cl)c2ccccc12)c1c(O)ccc2ccccc12 13321953 PEJUDHOMTIQPNP-AMVVHIIESA-N 471.919 6.105 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cc(Br)cc(Cl)c1O 13943672 DDALCBNLNXTIJO-MSXFZWOLSA-N 459.727 5.004 50 40 JKGB Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3)c2C)c1 20243615 XXVGBVHUTZCJCK-LGJNPRDNSA-N 484.463 5.857 50 40 JKGB COc1ccccc1OCC(=O)N/N=C/c1c(Br)c(C)n(-c2cc(C)cc(C)c2)c1C 20243731 XHZHOYKHZSLPCT-LGJNPRDNSA-N 484.394 5.011 50 40 JKGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2csc(N(C(C)=O)c3ccc(CC)cc3)n2)c1C 22062198 FJUJBDMFMUVZGV-OEAKJJBVSA-N 490.629 5.869 50 40 JKGB Cc1ccc2c(Cl)c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)sc2c1 26967025 GMQACBPIWGNYTP-LGJNPRDNSA-N 477.014 6.541 50 40 JKGB CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OC(C)C)cc4)ccc32)cc1 38682407 CKVKDVSMXYMHKT-RUZDIDTESA-N 472.566 5.633 50 40 JKGB CCCCOc1ccc(/C=N/NC(=O)COc2ccc3c(c2Br)CCCC3)cc1 59459333 BSICFHMUTGNLLT-MFKUBSTISA-N 459.384 5.036 50 40 JKGB CCN(CC)c1ccc(P(=O)(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)cc1 97944971 JBBTUZZANSMICJ-UHFFFAOYSA-N 491.660 5.865 50 40 JKGB CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C/C(=N/NC(N)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118929297 QWWXGNJMFCGJLT-KVFDKFOPSA-N 467.742 7.464 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(=O)NC1CCCC1 207053463 CTHMAYPCTFFZBO-SXGWCWSVSA-N 494.216 6.301 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1cc(Cl)ccc1Cl 408544073 RRWQFRYQXYLRTI-MFOYZWKCSA-N 454.313 5.645 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)c2nc3ccc(F)cc3[nH]2)cc1Br 408567706 PISLPIYFPSPWKG-WUXMJOGZSA-N 477.131 5.856 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccccc1Cl 408580405 PIHWPAZIZNRVFU-LZYBPNLTSA-N 479.190 7.952 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2cccc3ccccc23)cc1 408580987 FNWNUTDFZSCYBT-HZHRSRAPSA-N 470.366 7.254 50 40 JKGB CC(C)(C)c1cc(CCC(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)cc(C(C)(C)C)c1O 408718782 IJLMINDSNRMSPI-UHFFFAOYSA-N 465.421 5.688 50 40 JKGB Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1)CCCC3 408730437 GFYFYEUXKQMOHV-MZJWZYIUSA-N 476.989 5.052 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1 408735635 VKWNPHQYWREFHW-WOJGMQOQSA-N 467.750 6.227 50 40 JKGB CCN(CC)c1ccc(-n2c(C)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1 408749107 DMIZESWUDLZWQE-JDCMOKTRSA-N 494.639 5.327 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408775816 SHOKJARPIMITNS-MTJSOVHGSA-N 482.411 6.412 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1cccc(F)c1 408791631 ZWMOMQPHJCKKMT-VCHYOVAHSA-N 485.342 6.656 50 40 JKGB CCOc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(OCC)c1 408809824 JOJRZSCZEDMPQT-COEJQBHMSA-N 467.569 6.014 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(OCc2ccccc2)cc1 408832793 RHAJTLHEFUJBBR-IMRQLAEWSA-N 461.565 5.897 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)c(Br)cc1OCc1ccc(F)cc1 408850181 HQFSNEVGQGRMNM-MZJWZYIUSA-N 485.353 5.638 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCc1cccc2ccccc12 408882994 PVHZVLIOFMRSAG-HYARGMPZSA-N 468.940 6.626 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccccc1Br 408892594 CVJCXAKSVWFNND-KGENOOAVSA-N 491.385 6.281 50 40 JKGB N#C/C(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1ccc(C(=O)O)cc1 408896878 UMMGYCCHIREXSK-SFQUDFHCSA-N 467.308 5.816 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Br)cc1 408897630 ZCSJEWSPTCRROT-RCCKNPSSSA-N 461.359 6.136 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCC1 408920156 HVHFYWYTWYTHFQ-GZTJUZNOSA-N 463.792 6.582 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccccc2)c(Br)c1)c1cc2cc(Cl)ccc2o1 409017369 NPYIBMFFWBAUPK-ZMFRSBBQSA-N 483.749 6.192 50 40 JKGB CC(C)(C)c1cc(/C=N/NC(=O)COc2ccc(Br)cc2)cc(C(C)(C)C)c1O 409020794 TYSJDNYSURPDEJ-DHRITJCHSA-N 461.400 5.279 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1ccc2ccccc2c1)c1cc2cc(Cl)ccc2o1 409022694 PNRZPJPMYGELSW-MWLSYYOVSA-N 454.913 6.582 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Br)c1 409046755 LXMLBTNIYPALJB-XDHOZWIPSA-N 492.329 5.747 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCC)cc3OCC)cc2c1 409187369 PONLJKSIPCSNKX-CFRMEGHHSA-N 475.339 5.155 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc(C)c4)c(OC)c3)cc2c1 409190298 RSHCKYZDUCVLCP-FDVSRXAVSA-N 492.959 6.145 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl 409247106 BFULBVNSYMMOIB-WQRHYEAKSA-N 480.351 5.865 50 40 JKGB CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC 409379365 WKWPJDBEMYJGFC-MIDUAYCOSA-N 469.763 5.061 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 409393607 RGGAVIRGWZILOZ-MFOYZWKCSA-N 454.860 5.708 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c1 1096845 ZZBAOBWYSZPUBM-RCCKNPSSSA-N 450.498 5.760 50 40 JKGB CCOc1ccc2ccccc2c1/C=N/NC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O 1784690 ANDQPGMXPPTKQI-AMVVHIIESA-N 496.592 5.136 50 40 JKGB COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1OCc1ccccc1 2078262 LJHNRTHXGLFOKQ-AFUMVMLFSA-N 463.584 5.126 50 40 JKGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@H]1c1ccc(C(C)C)cc1 2309587 CMUUEDKHKFIYNA-DHIUTWEWSA-N 491.613 5.377 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc4ccccc4c3)cs2)sc(C(C)=O)c1C 2337268 JIDPUHAATDKLLP-MOSHPQCFSA-N 487.606 6.689 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2801860 GYVBLQHAUFXCRI-NTEUORMPSA-N 460.795 5.863 50 40 JKGB O=C(CC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 3088648 HREKOKJFYAFDAO-UVHMKAGCSA-N 490.774 5.705 50 40 JKGB CCOc1ccc(/C=N/NC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)cc1OC 3278669 YPKLLCBQCQASJO-OCSSWDANSA-N 479.536 5.171 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8453580 QSKYGPCEKLNGLQ-RCCKNPSSSA-N 487.535 5.677 50 40 JKGB CC(/C=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)=C\c1ccco1 8735737 NZANXQRLMNRKSL-IFZMBRQNSA-N 480.640 5.874 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc(C)c1C 10232886 LCLBXFDCWCQUOM-DHDCSXOGSA-N 453.545 5.370 50 40 JKGB COc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc2c(c1Br)CCCC2 16227889 MNGRESSYBARLOG-VULFUBBASA-N 467.363 5.019 50 40 JKGB Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c1C 20243844 PMSQNWVSOIXCSI-FOGHPNEFSA-N 484.463 5.937 50 40 JKGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccccc2Br)c2ccccc21 20760353 DIOIOTJJGFNQQZ-MZJWZYIUSA-N 457.331 5.088 50 40 JKGB Cc1cc(C(=O)Oc2ccc(/C=N\NC(=O)[C@H]3C[C@@H]3c3ccc(C(C)(C)C)cc3)cc2)ccc1[N+](=O)[O-] 30738594 ZJLJIUJLFZGTMJ-YZJHEVQWSA-N 499.567 5.674 50 40 JKGB O=C(/C=C\c1ccco1)Oc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1 30817656 UDOUKJJQXPXZAS-MPKJUOOFSA-N 473.710 5.078 50 40 JKGB Cc1c(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 33518452 SDUAOOPDNZUQBG-CCVNUDIWSA-N 495.366 5.906 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 33592285 HJDKRNFCXSQDSL-UUYOSTAYSA-N 471.469 5.883 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 58913027 WXCZFBNEBXHDEL-OPEKNORGSA-N 463.752 5.143 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccc(Br)cc12)C(=O)NCc1cccs1 59087054 PWYMUVXXIAYXIR-WOJGMQOQSA-N 476.399 5.737 50 40 JKGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 59101721 DUCJMINZPJRPRF-MZJWZYIUSA-N 486.355 5.060 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccccc1 59117338 FHVNSWMZVMDRPF-SFQUDFHCSA-N 467.308 5.767 50 40 JKGB CC(C)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 59117482 ORXAJWRDJDFODR-NTUHNPAUSA-N 454.151 6.089 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OCc1ccc(Br)cc1 59445011 AXJMQVIIUNCCPS-DHRITJCHSA-N 473.754 5.454 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1)c1ccccc1O 100924507 AKYHPJKFDVKRJA-YUMHPJSZSA-N 460.921 5.169 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccccc1F 107617861 HMQRUZVWGZHFMU-MOSHPQCFSA-N 473.504 5.014 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccccc1F 107818465 XPYYSFFURSVFDS-CHHVJCJISA-N 467.154 8.082 50 40 JKGB CCN1c2cc(C)c(/C=N/NC(=O)c3cc(Br)ccc3OC)cc2[C@@H](C)CC1(C)C 223575543 AMLSYPOSWXDGJZ-HEOQCTJZSA-N 472.427 5.642 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1cccc2ccccc12 408580443 PPTUSEHMXYOMBM-RGVLZGJSSA-N 494.805 8.452 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1cccc(Br)c1 408754139 MBKWUVWWFDQDCZ-NDENLUEZSA-N 458.315 5.445 50 40 JKGB N#C/C(=C/c1ccccc1OCc1cccc(F)c1)C(=O)Nc1cccc(Br)c1 408761519 FMJVUQALVGLDOJ-PDGQHHTCSA-N 451.295 5.713 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 408797442 RNPDBVLBRGDTAV-CAOOACKPSA-N 489.761 7.219 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)Nc1ccccc1F 408811155 KLTWBWWNQKUSRO-MFOYZWKCSA-N 495.304 5.442 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccncc2)c(Br)cc1OCc1ccccc1Cl 408859403 WXWFZQMHXSADJT-LGJNPRDNSA-N 488.769 5.239 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 408938767 RNCHXZCBFVWHIG-PDGQHHTCSA-N 486.471 5.327 50 40 JKGB Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1 409047657 PHTLDOBNUYQUOL-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 409223461 FOHZFYLPNAYYQV-GZTJUZNOSA-N 496.350 5.565 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)n1 409243772 YHXUYYUAAVXLJE-OPEKNORGSA-N 475.401 5.222 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1C 409260082 KKYHIODDOMYSGV-KGENOOAVSA-N 457.486 5.384 50 40 JKGB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@@]4(C)[C@@]3(O5)C(=O)[C@@H](Br)[C@@]21C 2038223636 XDHSPKUJYNEBHS-ZSQLCVDFSA-N 481.471 5.308 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(N2CCOCC2)cc1 797693 ABMCYWFXRIPBNG-LTGZKZEYSA-N 460.965 5.130 50 40 JKGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 1097693 HMYQCOJPSWVLSU-QHCPKHFHSA-N 463.990 5.449 50 40 JKGB CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1 1814560 HZXGELPIUADIOQ-LQKURTRISA-N 490.032 5.701 50 40 JKGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N3CCCCC3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2235204 DPKPQMHMHNEWSP-LVZFUZTISA-N 470.573 5.012 50 40 JKGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc(C)c1C 2326175 AVGFNKISCUMWBF-RIYZIHGNSA-N 485.905 5.519 50 40 JKGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3cc(C)ccc3C(C)C)nc3ccccn3c2=O)cc1 3644059 AFDUUBITEFWEAA-CJLVFECKSA-N 499.592 5.565 50 40 JKGB CCc1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 8454790 GIDNPWTXZXYTBY-YRICHZAJSA-N 494.251 5.438 50 40 JKGB COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)c1 9428749 YYKFEZZSEYVYHX-WGOQTCKBSA-N 463.607 5.010 50 40 JKGB CCOc1cc(C(=O)NNC(=S)Nc2ccc(Oc3ccccc3)cc2)cc(OCC)c1OCC 9601504 FGRWNOXKLHHTJK-UHFFFAOYSA-N 495.601 5.306 50 40 JKGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccccc1Cl 13661434 ARUJLPOKIINJDJ-RWPZCVJISA-N 497.407 5.325 50 40 JKGB Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 13770155 WYVSQOYOLDKFOH-GPSDDGMOSA-N 491.975 5.853 50 40 JKGB CC(C)N1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 20528789 SDVIFSNPLNJRHI-JBSURENYSA-N 452.385 5.863 50 40 JKGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(OC)c1 33445987 ROBZMODHMYVEPP-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)ccc1OCc1cccc2ccccc12 33959678 CIJNWZLUDGAIPX-UXHLAJHPSA-N 484.552 5.599 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2F)c1 59201302 KAIUJQFULXIGKE-UDWIEESQSA-N 479.349 6.330 50 40 JKGB Oc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12 100011062 LWZAKMZAVUALLD-UHFFFAOYSA-N 454.509 7.124 50 40 JKGB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]4[C@H](C)C#C[C@H](C)C(C)C)[C@@]34CC[C@]2(C1)OO4 257349685 QICKSUTUHBCJRE-AIVZPAIESA-N 470.694 6.716 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(I)cc1)c1nc2ccc(F)cc2[nH]1 408566933 BOKCICJUJNGITB-BOPFTXTBSA-N 495.295 5.950 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)NNc3ccccc3OCc3ccccc3Cl)CC2=O)cc1C 408603257 FZPQXUATYKCTLW-HXUWFJFHSA-N 463.965 5.032 50 40 JKGB CCc1ccc(N2C[C@H](C(=O)NNc3ccccc3OCc3ccc(Cl)cc3Cl)CC2=O)cc1 408609949 SOXQBLQQKUWXLF-LJQANCHMSA-N 498.410 5.631 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Br)c1 408751949 DZANLHONEHCTRD-PDGQHHTCSA-N 478.302 5.482 50 40 JKGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(I)c3)c2C)cc1 408753847 KRKVYJKAPJIECY-ZVHZXABRSA-N 471.342 5.025 50 40 JKGB CCOc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2)cc1 408756288 YNYIJPMTKJEPEG-XMHGGMMESA-N 475.932 5.302 50 40 JKGB CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1OCC 408769617 XISDSTKMADJKGW-WQRHYEAKSA-N 457.368 5.799 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1 408792884 LZTVMCATODAFQK-UDWIEESQSA-N 476.916 5.562 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(Br)cc2)cc1 408802256 YRVKYCANUBIIGR-KGENOOAVSA-N 491.385 6.145 50 40 JKGB C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2cccc(Cl)c2)c1 408828369 MOQDDKKUCBTOIT-CCVNUDIWSA-N 490.774 5.818 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccn2)c(Br)cc1OCc1ccccc1Cl 408857604 OSAXKOIPQAGTOI-LGJNPRDNSA-N 488.769 5.239 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Cc2cccc(F)c2)c(Br)c1 408865913 DSJLOVUYBQQSDA-VXLYETTFSA-N 483.768 6.687 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2F)cc1 408870197 VLQHOHJSBYXZLV-XSFVSMFZSA-N 479.349 6.123 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1Cc1ccccc1F 408875822 LLBRNRIGPNCSCA-RQZCQDPDSA-N 499.767 6.387 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1Cc1ccccc1Br 408881995 OOBFDZFKTNVVEK-RGVLZGJSSA-N 495.804 6.556 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2C)cc1C 409006948 LNEXREOWSDTVLN-KBVAKVRCSA-N 476.580 5.329 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCC(=O)Nc1ccc(C)cc1 409017350 FXHIHAVLHNPVQW-UXHLAJHPSA-N 481.552 5.328 50 40 JKGB Cc1cc(O)nc(Sc2oc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)n1 409105563 LCEVIKZEZPAXSL-YRNVUSSQSA-N 491.754 5.196 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4cc(C(=O)OC)ccc4Cl)c3C)cc2c1 409188254 XURZUDUDVHSVSJ-MUXKCCDJSA-N 493.947 5.443 50 40 JKGB O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cccc2ccccc12)c1ccc(Cl)cc1 409226304 UTOJDBCCTOKDLQ-DICXZTSXSA-N 473.872 5.385 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 409234674 OVYCCJTWNSKHKT-WKIKZPBSSA-N 461.320 5.413 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1cccc2ccccc12 409246479 BVEQJWHPWNGJQT-RWPZCVJISA-N 486.597 5.077 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)cc1OC 409310250 STGRKWGZTNESJA-YUMHPJSZSA-N 495.373 5.365 50 40 JKGB COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1OC 409312542 LRPUUYPPWKEBHG-VYYCAZPPSA-N 468.937 5.017 50 40 JKGB COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@@]4(C)[C@@]3(O5)C(=O)[C@@H](Br)[C@@]21C 2038223633 XDHSPKUJYNEBHS-CIMOWHSUSA-N 481.471 5.308 50 40 JKGB N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 935219 HOMPCDJDJODJME-YDYXIROLSA-N 491.975 5.222 50 40 JKGB N#C/C(=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)NCc1ccco1 1102860 UMQWIMPHMKYJNR-XSFVSMFZSA-N 453.454 5.143 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1ccc(Cl)cc1 1902542 GUBUEJICNPBDQK-JVWAILMASA-N 492.004 5.653 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1 2285417 KYWJPSIPEOPOSS-LTGZKZEYSA-N 469.972 6.596 50 40 JKGB O=C(Cn1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21)Nc1ccc(F)cc1 4065293 YWFVTSWSPOSQTO-KVSWJAHQSA-N 483.330 5.490 50 40 JKGB CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccccc1Br 8386279 ZQWTYIXXNJODPX-QJTDOHDFSA-N 490.195 5.673 50 40 JKGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 9009132 LMHMXQWCBUVRTA-VWLOTQADSA-N 478.552 5.663 50 40 JKGB COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1 9019191 CYOHJCBPHBKFLE-CVKSISIWSA-N 484.025 5.355 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1ccccc1 9043834 NUPWQMWGUMOPAC-ONUIUJJFSA-N 468.026 5.736 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 13943706 OURKMKDZUJLBRV-JFLMPSFJSA-N 475.888 5.704 50 40 JKGB CCCc1n[nH]c2c1[C@@H](c1ccc(OC)c(CSc3nc4ccccc4s3)c1)C(C#N)=C(N)O2 22748009 VOWXAYIFOWUQAM-NRFANRHFSA-N 489.626 5.491 50 40 JKGB O=C(COc1ccc(Cl)cc1-c1ccno1)N/N=C\C1=C(Cl)c2cc(Cl)ccc2OC1 33937763 PNTIPBMHWGOTNX-MWYAZZEHSA-N 478.719 5.172 50 40 JKGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 59101902 SDKXVWDDKOHQTQ-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc(F)c1 59332889 ZIXUTHLAXBPIHP-ULJHMMPZSA-N 485.559 5.059 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 59334717 NIFCQEQAJODVPO-NVNXTCNLSA-N 498.204 5.729 50 40 JKGB O=C(CCl)Nc1ccc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)sc2c1 59497884 SQYKZANBLFQXTO-UHFFFAOYSA-N 459.902 5.223 50 40 JKGB CCc1c/c(=N\NC(=O)Nc2cccc(C(F)(F)F)c2)oc2cc3c(cc12)CCC1(CCCCC1)O3 70655963 VQWFQZJOVKPGLB-FEZSWGLMSA-N 499.533 6.679 50 40 JKGB Cc1ccc(C(=O)N/N=C2/C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)c(Cl)c1 100814861 IQOKTOWFKMQPHG-HPNDGRJYSA-N 496.792 5.134 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(O)CCCC3=N2)cc1Cl 102585179 KRHPJNPMYFSOKM-QHCPKHFHSA-N 498.435 6.943 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Cl)c1ccc(Br)cc1 408580293 NZEBNDGWUNLSQL-WOJGMQOQSA-N 459.170 7.399 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccc(Cl)cc4Cl)c3)CC2=O)cc1C 408609768 RXVJYJUOPNJEKW-IBGZPJMESA-N 498.410 5.685 50 40 JKGB COc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)ccc1OCc1ccccc1 408719915 PPXFNCRLXZIGIL-VULFUBBASA-N 454.979 5.311 50 40 JKGB Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CSc3nc4ccccc4s3)cc2)cc1 408736887 BNGFWLLPZIDKNM-AFUMVMLFSA-N 461.568 5.066 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Br)cc2F)c1C 408742601 BKEFLYWNKSCMBY-WQRHYEAKSA-N 452.327 5.850 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2ccc(Cl)cc2)cc1 408774866 XWPLIXRZFPAYLE-OGLMXYFKSA-N 492.000 5.147 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2F)c(Br)c1 408788295 JLURYZZZARIRGF-VCHYOVAHSA-N 499.767 6.675 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2Br)cc1 408789095 NYASCPDQIQGZCV-LPYMAVHISA-N 475.386 6.499 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1cccc(Cl)c1 408793241 DJAYGNFVRXFUQL-LICLKQGHSA-N 485.740 6.366 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408797308 RCMSOXKCMGCTEP-KPKJPENVSA-N 462.676 6.361 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1cc(OC)ccc1OC 408807250 KTWSDLCVRMQRDP-BQXGIBMSSA-N 478.589 5.283 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1Cc1ccccc1F 408867439 KUQIRYMHXKWJQZ-LICLKQGHSA-N 483.312 5.872 50 40 JKGB N#C/C(=C\c1c(Cc2ccccc2F)ccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 408879647 DJGUGTXXSCHDHV-RCCKNPSSSA-N 451.457 6.024 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c1OCc1cccc(Cl)c1 408885577 CFUQHEWFQZNDTD-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB Cc1cc(C)cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2F)c1 408888362 USQPIFHIBXWFET-UDWIEESQSA-N 479.349 6.330 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1Br)C(=O)Nc1ccccc1F 408893581 HAWCBBVYCVCVHF-QGOAFFKASA-N 451.295 5.713 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccccc1F 408992217 SJZPCFCUKILZRW-XKZIYDEJSA-N 490.962 6.649 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1 409046161 JEUKSQLEJDLNCV-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)OCO3 409099891 MQSQKIPVRUFROY-JOCHJYFZSA-N 485.298 5.658 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1O[C@H](C)CC 409207916 CNHLSFZCYGZNCB-REMUQMNCSA-N 455.407 5.812 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1ccccc1F 409220767 FLIMTBAOTZLLJH-UYRXBGFRSA-N 477.461 6.702 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409226771 WTHIZYAQDBVSOF-UDWIEESQSA-N 489.959 5.529 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccccc1Cl 409239203 CKFXLPPCYXHWQV-KQWNVCNZSA-N 460.961 5.584 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1cccc(C)c1 409243593 TWRRDOXXSQYCRG-AYBNGVQBSA-N 460.961 6.020 50 40 JKGB Cc1cc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2)ccc1Br 409322958 LZKOCLMISPFPAM-MRXNPFEDSA-N 490.810 5.122 50 40 JKGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)[C@H]2CCCC=C12 1085022 XRHRIXOKQSCKNC-GBXCKJPGSA-N 485.931 5.421 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2C)ccc1OC(=O)c1ccccc1Cl 2052908 MKWYKBBBVNLKAL-UVHMKAGCSA-N 487.339 5.059 50 40 JKGB COc1ccc2c(c1)[C@@H]1C(=S)SS[C@@H]1C(C)(C)N2C(=O)Nc1ccc(Cl)c(Cl)c1 3193826 JXDRAZZSUFJDHZ-IRXDYDNUSA-N 485.483 7.007 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(F)cc1 4196372 BXGGJTKNWDBXGP-VCHYOVAHSA-N 472.741 6.893 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(I)cc2)c(C)n1-c1ccc(Cl)cc1 10118545 HTMSARCCDRZMRQ-FSJBWODESA-N 477.733 5.116 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 10475949 VXKZLDNKIGBSMP-JFLMPSFJSA-N 457.357 5.664 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1O 13943864 VJSUNBGIOTXOCZ-JLAZDCSASA-N 453.458 5.562 50 40 JKGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1OCC 15018690 FXGLDJIZTDGECC-JFLMPSFJSA-N 493.357 6.076 50 40 JKGB N#C/C(=C\c1c(Cl)cccc1Cl)c1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 16733961 GSHKPXFNFRDCPL-NBVRZTHBSA-N 476.388 7.433 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(N(C)C)cc1 33352583 ONRUBBLWHWJRRR-WGARJPEWSA-N 479.378 5.433 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cn(CC(=O)Nc2ccc(C)cc2)c2ccccc12 33407191 UHVNPZKAXXMPGV-KBVAKVRCSA-N 490.563 5.514 50 40 JKGB CCOc1cc(/C=N\c2cc(Cl)c(O)c(Cl)c2)ccc1N(CCCl)CCCl 104093410 TVLGRKWRDDDXTC-MSXFZWOLSA-N 450.193 6.132 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c1 107716633 LEMQEGQQVXWKGK-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB CCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Br)cc1 408533478 RDZNMNGLBDMMHQ-MTJSOVHGSA-N 454.162 5.154 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)C(=O)Nc1cccc(Br)c1 408543118 PCYBKUFIMSOPOG-GDNBJRDFSA-N 490.313 5.289 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1cccc([N+](=O)[O-])c1 408543813 QZAXLTQZHXBIRN-RGVLZGJSSA-N 454.486 5.740 50 40 JKGB Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 408568155 IEKQQLGNLHJBCT-OYKKKHCWSA-N 487.538 6.624 50 40 JKGB CC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)o2)cc1 408570778 YLOMEXHYHNMFBP-AFUMVMLFSA-N 466.584 5.157 50 40 JKGB CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 408712052 XLUFYYBYYQELBQ-YUMHPJSZSA-N 497.389 5.128 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OCc3ccccc3Cl)cc2)c1C 408743988 IYEXAKWDKSHOOZ-UQQQWYQISA-N 496.010 7.181 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1 408757660 BIHPSMQKMRSWEX-LDADJPATSA-N 453.325 6.127 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c([N+](=O)[O-])c1 408879487 DQJSJAGJJDKIEV-XYOKQWHBSA-N 458.257 5.716 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccccc3)o2)c1C 408996042 GSULEAGEWKGSBY-WJDWOHSUSA-N 453.361 6.356 50 40 JKGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Cl 409030708 FHHFMUHCKZFKFG-LQKURTRISA-N 489.000 6.536 50 40 JKGB C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1 409056195 KZTWBVSSGSJPPF-RIYZIHGNSA-N 462.097 5.196 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1 409060428 ZXGUFMFOYUTVBN-CXUHLZMHSA-N 475.734 6.911 50 40 JKGB Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)c2C)ccc1Br 409204781 JNIVZFPKXLMXTN-RGVLZGJSSA-N 492.373 5.117 50 40 JKGB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1cccc2ccccc12 409217495 CNKGXAYNXNFRJN-ZWENPOLKSA-N 499.910 5.784 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1F 409228846 FYMVZRHGXXNPIK-CTPANLQCSA-N 464.924 5.851 50 40 JKGB COc1ccc(N2CSC3=C(C#N)[C@H](c4c(OC)ccc5ccccc45)CC(=O)N3C2)cc1 2212633 TUNIWOJSCOUZNF-OAQYLSRUSA-N 457.555 5.076 50 40 JKGB CCc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1 3662543 IJPWXXSDTQPXQW-MFKUBSTISA-N 450.336 5.028 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 9057457 FOYICUILUFXRFZ-LDADJPATSA-N 478.302 5.482 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1OCc1ccc([N+](=O)[O-])cc1 9235016 QSMAKHVOKHQCNO-KGENOOAVSA-N 457.486 5.345 50 40 JKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3I)n2)c(C)c1 9404951 HCPRMDOBJYHDCY-RVDMUPIBSA-N 457.340 6.008 50 40 JKGB N#Cc1ccccc1COc1ccc2ccccc2c1/C=N\NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 9934781 IASQBQWWLZAXDR-UHBFCERESA-N 490.475 5.709 50 40 JKGB O=C(N/N=C/c1cc(Cl)ccc1OCc1ccccc1)c1ccc(I)cc1 10118594 HFVVBRXDFRPHFV-ZMOGYAJESA-N 490.728 5.288 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(=O)O 12470051 NQUSJTFQWZMBLO-RVDMUPIBSA-N 481.291 5.456 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Cl)c3Cl)C3=C(CCCC3=O)N2)cc1 13174590 OENYQVQNRQVJRO-QFIPXVFZSA-N 498.435 6.103 50 40 JKGB COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)c1cc3ccccc3cc1O)oc1ccccc12 16137028 CQUSAEXWLSNOLM-OKCVXOCRSA-N 481.508 5.588 50 40 JKGB CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)cc1 16741510 CKPHUZXTIVRYDO-HAHDFKILSA-N 468.582 5.263 50 40 JKGB C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 19948276 BRBJYDMZFVSIJC-QUPMIFSKSA-N 491.657 5.337 50 40 JKGB CC(C)(C)c1ccc(Oc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3F)cc2[N+](=O)[O-])cc1 33647606 DOYDQSRFFRBMJA-JXAWBTAJSA-N 459.477 6.369 50 40 JKGB CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)c1 34256576 UCYBXJXISSALJG-PTGBLXJZSA-N 473.580 6.669 50 40 JKGB Cc1ccc(NS(=O)(=O)c2cc(NC(=O)/C(C#N)=C\c3ccccc3)ccc2Cl)c(C)c1 34888135 ZSXIADICENCDFY-UYRXBGFRSA-N 465.962 5.303 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1 59116882 KQFFVDLRKJQUOE-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 59335644 NYAJQOAZLQHKJQ-KQWNVCNZSA-N 487.397 6.611 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 59435253 ADVWCCAFHUPMSU-RPPGKUMJSA-N 486.380 5.956 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1cccc(C(F)(F)F)c1 59921615 MHQGWVGFDLHRNK-KVSWJAHQSA-N 495.270 5.950 50 40 JKGB CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC 105659953 JOINHQZGGFSFJX-FCDQGJHFSA-N 464.606 6.769 50 40 JKGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)oc12 208217298 ZUPBJWGOMBPOBV-QJXMJWHHSA-N 498.421 5.998 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)ccc1OCc1cccc(Cl)c1 408719343 BWKCMLUDQMKQAT-AXNZHVIBSA-N 469.006 5.949 50 40 JKGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1Br 408745586 SZBWLCHLZPZDGO-GDNBJRDFSA-N 461.743 5.612 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(-c2ccccc2)n1-c1ccccc1 408776793 RKXFPVUSSZACSH-XLNRJJMWSA-N 482.381 6.761 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(N2CCOCC2)cc1 408790536 SFBKGBFIZDMJDX-ZHZULCJRSA-N 495.410 5.783 50 40 JKGB N#C/C(=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 408791328 WBSWSFGBVXPLLY-PXLXIMEGSA-N 472.504 6.297 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1OCc1ccc(Cl)cc1 408791981 GCLAPIQULNVLGZ-KGENOOAVSA-N 493.390 6.855 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc2ccccc2c1 408798777 WWYPNQJDUMUZSF-MFKUBSTISA-N 496.994 7.325 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1 408805329 ABVZCFCTBBYANM-LICLKQGHSA-N 468.296 6.026 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)Nc2ccccc2C)c1Cl 408815820 SGZIVRSZUFCPJV-RVDMUPIBSA-N 484.339 6.361 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 408820002 ZTZGTOMYXIJJGL-WOJGMQOQSA-N 482.323 6.335 50 40 JKGB COc1ccc(SCC(=O)N/N=C\c2c(Br)c(C)n(-c3ccccc3)c2C)cc1 408844290 HSTPZAYVUYYJNM-CFRMEGHHSA-N 472.408 5.108 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1Cc1ccccc1F 408870111 VKQIAMWZHXJXED-KGENOOAVSA-N 463.350 6.287 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccc(Cl)c(Cl)c1 408888266 YEWISHYOOFHMQN-MUFRIFMGSA-N 494.378 6.136 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccccc1C(=O)O 408889662 IPUCQFVDLHDLOW-GZTJUZNOSA-N 467.308 5.816 50 40 JKGB COc1ccccc1NC(=O)N/N=C\c1cc(Br)c(Sc2ccc(C)cc2)o1 408914942 SDIHZADWQDCNIF-UUYOSTAYSA-N 460.353 5.666 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(Br)cc1F 408968029 YUKLWHCHTUGPIC-OPEKNORGSA-N 499.296 5.414 50 40 JKGB COc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(SC#N)c1O 409052797 AMPUDEUVLRBEDN-UHFFFAOYSA-N 466.603 5.289 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1cccc2ccccc12 409070626 CYSBGCIVKZOHKN-YZSQISJMSA-N 476.532 7.128 50 40 JKGB CN1C(N)=C(C#N)[C@@H](c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C2=C1CCCC2=O 409144735 OUYORSAJSCMLLE-JOCHJYFZSA-N 479.367 5.174 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)cc2c1 409191068 ZHIQAASUBXBIDJ-YSMPRRRNSA-N 459.458 5.083 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)NC1CCCC1 409191905 QAHHJANTVHIXPB-BOPFTXTBSA-N 459.771 5.647 50 40 JKGB COc1cc(C(=O)N/N=C\c2ccccc2OCc2ccccc2F)ccc1OCc1ccccc1 409310306 UGDDPSYCCSIFKX-MNBJERMJSA-N 484.527 5.756 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1OCC 409311420 GKLCSBPROUWRKY-MBTHVWNTSA-N 470.928 5.619 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1OCC 409326792 OFYQJNJZKIUBEC-YKQZZPSBSA-N 492.547 5.531 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)C(c1ccccc1)c1ccccc1 409392810 SCTJLUQAGJNNGD-WPWMEQJKSA-N 459.343 5.991 50 40 JKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)cc3C(F)(F)F)n2)cc1 2209087 OZLJMXXPNAYOHW-SFQUDFHCSA-N 461.940 7.657 50 40 JKGB O=C(N/N=C/C1=C(c2ccccc2)Oc2ccccc2[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])o1 2291147 MHOYKVUBLKYOGY-GLYRRZRCSA-N 465.465 5.539 50 40 JKGB CCC/C(CC)=N\NC(=O)CNc1c(Br)cc(Br)cc1Br 8809632 MWOZTSUIHLFDCW-GRSHGNNSSA-N 484.030 5.068 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 9075483 ODLQYYYWOPRLES-JOCHJYFZSA-N 454.917 5.527 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCc1ccc(Cl)cc1Cl 10039450 CCVNPLGMRFJFLW-LGJNPRDNSA-N 459.329 5.441 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1ccco1 13943650 GSRWSRNSKAWYRM-RDRPBHBLSA-N 484.508 5.094 50 40 JKGB CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 14359115 ZASJPBWRMLFEHW-LTGZKZEYSA-N 466.610 5.954 50 40 JKGB CCOC(=O)C1=C(CSc2nc(-c3ccccc3)ccc2C#N)OC(N)=C(C#N)[C@H]1c1ccccc1 17440311 YBQROXDQYKERMV-XMMPIXPASA-N 494.576 5.037 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)ccc1OCc1ccc(Cl)c(Cl)c1 20195124 ZVEOWIVMNHPVJH-CCVNUDIWSA-N 471.384 5.891 50 40 JKGB COc1ccc(OC)c(CN(C(=O)CBr)c2ccccc2Oc2ccccc2)c1 59086035 IKVVNTUNSFIAJK-UHFFFAOYSA-N 456.336 5.424 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(=O)c1ccccc1 59281792 DTKZACKFDUDREC-LDADJPATSA-N 491.887 5.412 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1cccc2ccccc12 59335715 DFIDDNFABHQMGK-IMRQLAEWSA-N 488.587 7.010 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 209281552 JHDXIGUZXWCVLQ-WCEBZYJUSA-N 481.379 6.365 50 40 JKGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2[C@@H](C)CC1(C)C 223581558 YOZZJCVPUIABTG-PMFHANACSA-N 456.417 6.960 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(I)c1OCC 408599775 ZLGLITFPXMBTOO-ZVHZXABRSA-N 494.373 5.150 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408744027 DGMJFSMJYVWXKM-MFOYZWKCSA-N 498.322 6.035 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1OCc1ccccc1C#N 408789146 OEXAFYOPYNPQJS-OEAKJJBVSA-N 483.955 6.073 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl 408800707 OQYPQTOEEIGIPF-GZTJUZNOSA-N 468.296 6.026 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3C)c2C)cc1 408803038 KONGNUQMEXFTOM-KGENOOAVSA-N 461.949 5.778 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(Cl)c2)cc1 408805110 DUIVKEOKLAWFBE-LPYMAVHISA-N 474.944 5.868 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(C)c(C)c1 408808780 FZYAKACYRXUGLB-SRZZPIQSSA-N 495.406 7.052 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3Br)ccc3ccccc23)c1 408871868 YMZQUVSXVJIWQG-JJIBRWJFSA-N 495.420 7.356 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1cccc2ccccc12 408888198 TUVFBLXLQYOSJP-UZWMFBFFSA-N 488.543 6.375 50 40 JKGB Cc1ccc(Sc2oc(/C=N/NC(=O)Cc3cccc4ccccc34)cc2Br)cc1 408911573 NYJGFSUKRMYUON-CVKSISIWSA-N 479.399 6.348 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1OCc1ccccc1Cl 409067430 DBHMFAUJYHEGIB-KGENOOAVSA-N 455.945 6.597 50 40 JKGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1)S(C)(=O)=O 409118997 VMBMIMRAOLQMQY-VULFUBBASA-N 490.412 5.032 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Br)ccc1OCc1cccc(F)c1 409144425 OAJWUPQIDUJICP-JOCHJYFZSA-N 467.294 5.091 50 40 JKGB Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)c1 409255647 IDADCSIRHCAPGV-LICLKQGHSA-N 496.350 5.571 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3cccc(F)c3)cc2Br)cc1 409394260 XUVOFWXQTDITLA-ODLFYWEKSA-N 465.322 5.978 50 40 JKGB N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 1888762 YTLAZWZDDLPCTO-GFPZRUSRSA-N 491.975 5.222 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3cccc(Cl)c3)N(c3ccccc3)C2=O)cc1 2354489 YSRYQYXAAXMSHR-YMGIJWJESA-N 473.985 5.713 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)cc1 2671755 FEWHDJYKCANJFG-OQKWZONESA-N 478.552 5.801 50 40 JKGB O=C(CCC(=O)Nc1cccc(Br)c1)N/N=C/c1c2ccccc2cc2ccccc12 3112462 YWJLDHKXTHWXCL-JVWAILMASA-N 474.358 5.625 50 40 JKGB CC(C)=CC(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 3447642 VBDWRILWHFXISZ-UHFFFAOYSA-N 498.564 5.318 50 40 JKGB CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 8860801 WABIBKDEOIQVEL-MKMNVTDBSA-N 485.161 5.814 50 40 JKGB N#C/C(=C\Nc1ccccc1OC(F)(F)[C@H](F)Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 9044963 LLTPCLKVQJZCOY-QHSLDKKCSA-N 480.855 6.201 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)OCC)cc(OCC)c1OCc1ccc(Br)cc1 9233730 OVTMPHGKXZVNJO-DEDYPNTBSA-N 470.363 5.625 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccc(I)cc1 10476084 UAPDHTKAVJUYIK-ZMOGYAJESA-N 490.728 5.288 50 40 JKGB O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 13098379 GTMPDDSWTMNMEV-VFLNYLIXSA-N 495.284 6.236 50 40 JKGB O=C(CSc1nnc(-c2ccco2)o1)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 13109786 WCKCCIYCLPOFEA-LGJNPRDNSA-N 472.448 5.508 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=N\NC(=O)c3cccc(-n4cccc4)c3)c3ccccc32)c1 33736479 FSGOPYXEEZBVRT-YKQZZPSBSA-N 476.536 5.031 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1ccc(Cl)cc1Cl 35328126 RETVRGYBQTZEPT-DHDCSXOGSA-N 496.188 5.058 50 40 JKGB O=C(N/N=C/c1cccc(Br)c1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 58900622 MOMBXTZNGZZJKB-ZMOGYAJESA-N 456.727 5.119 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Br)c2)cc1 59335236 CZKOQSCXAMWUDK-NVMNQCDNSA-N 499.767 6.675 50 40 JKGB O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408640980 BWRFUUACGGVWNE-CXAGYDPISA-N 489.182 5.423 50 40 JKGB COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Br)c1OCc1ccccc1 408722626 MOGXATYFKXLBLG-FGQSVRNTSA-N 471.395 5.313 50 40 JKGB Cc1ccccc1C(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 408729666 BVZJFSOJRNHVPH-HWIUFGAZSA-N 490.006 7.537 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2cccc(Br)c2)c(C)n1-c1cccc(Cl)c1 408759773 LGJZZOILHADUOA-MSXFZWOLSA-N 460.759 5.039 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12 408764501 UEBPJCGNMSAPSM-BIZUNTBRSA-N 488.543 6.293 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1 408764873 TZTYXHPGAOYEJR-WYMPLXKRSA-N 460.759 5.039 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c(Br)cc1OCc1ccccc1 408812911 XMWDSGHCBHAEMY-UJXHEIMFSA-N 483.406 5.639 50 40 JKGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 408828710 LXCIVNSIXFTODN-PTGBLXJZSA-N 492.962 6.630 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(OCc2c(C)ccc3ccccc23)c1 408871648 IDJWHISVXFXLNN-PXLXIMEGSA-N 466.512 6.421 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OCc2ccc([N+](=O)[O-])cc2)c1 408880642 HPGKTAACUCPYJS-WOJGMQOQSA-N 497.429 5.747 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3Cl)c2)c([N+](=O)[O-])c1 408898922 NMLPRPSFGHVFMV-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409019241 ILROPHHMALREFK-WKIKZPBSSA-N 486.355 5.092 50 40 JKGB Cc1ccc2c(c1)c(/C=N/NC(=O)CSc1cccc3ccccc13)c(C)n2Cc1ccccc1 409044567 OHMVYLZZAXGALY-FDAWAROLSA-N 477.633 6.702 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 409045014 XKEIBEHTRKCXFD-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Cl)c1OCC(=O)Nc1ccccc1 409047694 PWTKEGHJWUEJKN-GZTJUZNOSA-N 459.889 5.571 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1 409072916 FHORTIRGGJDOCM-RCCKNPSSSA-N 485.565 5.440 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1OCc1cccc(F)c1 409075427 YPWVQDGVPJELNR-HYARGMPZSA-N 472.516 5.783 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 409265776 PACVMWBFEHVONQ-LICLKQGHSA-N 498.322 5.992 50 40 JKGB C[C@@H](C1=C(c2c(N)ccc3ccccc23)CC(C)(C)CC1=O)c1ccc(N(C)CCCl)cc1 409336110 SFBUDBOMPCCZKF-LJQANCHMSA-N 461.049 7.043 50 40 JKGB Cc1ccc(CC(=O)N/N=C\c2cc(C)n(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 409364718 OWOQFOQKRKDQOX-MIXAMLLLSA-N 466.541 5.671 50 40 JKGB O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)N/N=C/c1cccc2ccccc12 1878940 ZPRILYDDSQJECF-JWHWKPFMSA-N 493.610 7.669 50 40 JKGB Cc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 1888114 URISKTODOVRUQR-FYAMCCBRSA-N 488.012 6.022 50 40 JKGB CCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc(OC)c3OC)c3ccccc3n2)cc1 2089741 NURBWXONWIBUDJ-RDRPBHBLSA-N 469.541 5.472 50 40 JKGB CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1 2398686 BORJKGZCUROCTF-OQKWZONESA-N 485.565 5.123 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 3616379 XCBCVTAZRHBNEW-RPPGKUMJSA-N 468.167 5.686 50 40 JKGB COc1ccc(-n2c(-c3ccccc3)cc3c2CCC(C=O)=C3Sc2ccc(F)cc2)cc1 8781535 UKWPIVXUFACVJG-UHFFFAOYSA-N 455.554 6.941 50 40 JKGB CC(C)(C)[C@H]1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 8783224 DCDCHBSBVCLMAN-IRRJJEPHSA-N 465.424 7.595 50 40 JKGB C/C(=N/NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 9849452 IZGOHBXQAZWCLM-ITYLOYPMSA-N 464.363 5.434 50 40 JKGB Cn1c(-c2ccccc2)c(C(=O)/C(C#N)=C/c2ccc(O)c(Br)c2)c2ccccc21 13138044 BEVBQIXMAFZSFT-QGOAFFKASA-N 457.327 6.103 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc3ccccc3c2)NC2=C(C(=O)CCC2)[C@H]1c1ccco1 13174336 AONSCKMLFXLLFS-XMMPIXPASA-N 455.539 5.234 50 40 JKGB O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccc(Br)cc2)nc2ccccc12 13321517 WBZDXRUKDZCVQG-RWPZCVJISA-N 469.342 5.910 50 40 JKGB C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C(\CC)c1ccccc1 13882062 WBXNMIBLHUAUEX-ZURFJKDFSA-N 483.041 5.141 50 40 JKGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 20060060 IYFMMJKFMBPHDK-SGWCAAJKSA-N 498.048 5.277 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Br 23382748 ZPJWOWAJNFQABW-FBJMNJBLSA-N 490.195 5.561 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1C 27018999 YGXYUVATMPJKKP-XIEYBQDHSA-N 474.564 5.636 50 40 JKGB N#C/C(=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)C(=O)NCc1ccccc1 33635655 RBMQFNHUMXCZJN-ANYBSYGZSA-N 479.583 7.035 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1F 33695081 JNMDRZOBCLNJBD-YBEGLDIGSA-N 477.160 7.538 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccn3-c3ccccc3)o2)cc1 34807238 CPWIJZPFMQMWJN-FSGOGVSDSA-N 478.552 5.821 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 59224901 YWAAKZSSUSUDTK-LPYMAVHISA-N 475.386 6.499 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 59281594 MJKFPTLTCYUSQB-LDADJPATSA-N 456.889 5.797 50 40 JKGB C#CC1(N[C@@H](c2cc(Cl)cc(Cl)c2O)P(=O)(c2ccccc2)c2ccccc2)CCCCC1 95677111 WQAPWRHURZVELW-AREMUKBSSA-N 498.390 6.637 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)c1 96476366 BPDRCLOJYJHEGV-UQQQWYQISA-N 496.010 7.181 50 40 JKGB Cc1cc(C)c(C)c(CC(C)(CI)CI)c1C 100434179 SPSIDOLGSYKIRJ-UHFFFAOYSA-N 456.149 5.339 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3ccc(F)cc3)Nc3c(F)cccc3[C@@H]2[C@@H]1Cl 102713075 VMVWNRGZUWPWQV-UJGPHIHISA-N 472.944 6.912 50 40 JKGB CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1OCC 408539030 DQPCOFZJEHHPFN-ITYLOYPMSA-N 475.427 6.351 50 40 JKGB CCCCCCCCCCCC(=O)Nc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccccc1 408657133 GEQVKVNIDNMZPD-UHFFFAOYSA-N 495.620 5.164 50 40 JKGB COc1ccccc1/C=N/NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccccc2C)n1 408724423 KCHDHIAVJADQMQ-NDZAJKAJSA-N 460.537 5.773 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1cccc([N+](=O)[O-])c1 408742971 CZUHIUFNBVQHNR-BKUYFWCQSA-N 457.486 5.427 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)c(Br)c1O 408745081 JPRHJHJTCXPUID-POHAHGRESA-N 486.547 5.125 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC#N)c(Br)c2)c1C 408799010 XOFUQVHQDFGPSM-OVCLIPMQSA-N 489.167 5.277 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(OCc2ccc([N+](=O)[O-])cc2)c1 408814317 OYBIKJBTJNGXSX-YBFXNURJSA-N 477.904 5.690 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c(OC)cc1Cl 408834766 LTUCRBUQWAHWNX-WOJGMQOQSA-N 483.351 6.135 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc(C)cc1 408854196 ZMXBQPYICLHENE-RHANQZHGSA-N 454.526 5.821 50 40 JKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)cc2Cl)c1 408881336 KWVYBRRDCCLGKY-CIAFOILYSA-N 479.805 6.856 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)n1-c1cc(Cl)cc(Cl)c1 408924940 PRBKADFWSXPUFD-GIDUJCDVSA-N 489.746 6.508 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 408983293 LFPAXYRQNPZYHF-BOPFTXTBSA-N 458.776 6.908 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1Br 409044646 WILLIEYZOUEBEL-OQLLNIDSSA-N 478.184 5.855 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409070752 OUVDMGSZYSNXHJ-VCHYOVAHSA-N 480.879 5.311 50 40 JKGB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccccc3)cc2Cl)cc1C 409267483 VWMHDWMGCAKMQW-WKIKZPBSSA-N 470.356 5.392 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c(C)n1-c1cccc(Br)c1 409389774 ABCZIAXLIITCDV-RWPZCVJISA-N 475.390 5.572 50 40 JKGB COC(=O)c1ccc(Cn2cc(/C=C(/C#N)c3ccc(C(F)(F)F)cc3)c3ccccc32)o1 409391603 IXQZXVUCZFBLHO-ATVHPVEESA-N 450.416 6.152 50 40 JKGB c1ccc([C@@H]2N=C(c3ccccc3P(c3ccccc3)c3ccccc3)O[C@H]2c2ccccc2)cc1 1988182097 CWMZMWXTKNWZSZ-ACHIHNKUSA-N 483.551 6.704 50 40 JKGB COc1cc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc(OC)c1OC 1773319 BTSFDERPGQFBJS-SDNWHVSQSA-N 472.364 5.575 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 2196360 FQQWLUNPYUVRTO-YMGIJWJESA-N 473.985 5.713 50 40 JKGB COc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3cccc(C)c3C)N(c3ccccc3)C2=O)cc1 2222217 BCUJIUAEEFONRN-SJUMRLIPSA-N 483.593 5.377 50 40 JKGB CC(C)Oc1ccc([C@H](CCN(Cc2ccccc2F)C(=O)CCl)c2ccccc2)cc1 2280489 HMKDQTKJVWPPAM-RUZDIDTESA-N 453.985 6.403 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)c1 2727078 OYWVAEMHSQPZRF-XSFVSMFZSA-N 455.945 6.206 50 40 JKGB O=C(NNC(=S)Nc1ccccc1)c1ccc(CSc2nc3ccccc3s2)cc1 3227141 QMRVKPDRTMGYMY-UHFFFAOYSA-N 450.614 5.220 50 40 JKGB O=C(N/N=C/C(Br)=C\c1ccccc1)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1 13713027 BNLQYTNRJQORSM-LCNPYLKXSA-N 453.384 5.029 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1 13898113 FSVPBMSSZBUSFS-HYARGMPZSA-N 469.541 5.184 50 40 JKGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 13922936 PVYHSESZBDHPON-MZJWZYIUSA-N 486.355 5.060 50 40 JKGB COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1N/C=C(\C=O)c1nc2cc(Cl)ccc2o1 16362969 WXOXPLHERXEXEN-DTQAZKPQSA-N 497.960 5.251 50 40 JKGB Cc1cc(C)cc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccccc2)c1 19948951 QDBRVHUOAJWPAH-UHFFFAOYSA-N 497.705 6.276 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccccc1 23217312 IWSVTMXCZNUKBS-DSQDWWTGSA-N 466.291 5.402 50 40 JKGB CC(=O)n1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21 33450623 HGRYVPHXBVIGNJ-UHBFCERESA-N 494.551 5.645 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)cc1 59334665 UCWCWEQUKSNFQT-SXGWCWSVSA-N 463.759 5.075 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1ccc(Cl)cc1 59435262 JUWLFQZJLHYWGO-BRJLIKDPSA-N 461.718 5.585 50 40 JKGB O=C(c1cccc(Br)c1)C(Br)C(=O)c1cccc(Br)c1 100780471 HKXXTAAPFWIEAS-UHFFFAOYSA-N 460.947 5.041 50 40 JKGB CCN1c2ccc(/C=N\NC(=O)COc3cccc(Br)c3)cc2[C@H](C)CC1(C)C 208313478 ZXUAOOYUKSBKQO-OOHHOYHOSA-N 458.400 5.090 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c3ccccc32)c1 408541393 CNDNUGWLGVLNJE-ZHZULCJRSA-N 453.473 5.161 50 40 JKGB C[C@H](NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1ccccc1 408607024 BKRNRHLNOXUDLK-VMJBBSNPSA-N 488.346 5.039 50 40 JKGB CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)ccc1OCc1ccc([N+](=O)[O-])cc1 408691685 LPTLFGDNUFEBSA-BKUYFWCQSA-N 454.486 5.529 50 40 JKGB N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl 408764156 QFULSZBJGPYZOF-STZFKDTASA-N 473.359 7.271 50 40 JKGB N#C/C(=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 408796753 ZBKGWFNPQIVRGI-GZTJUZNOSA-N 480.782 7.195 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1C 408803638 RLXSMTHTFPYKIE-YBFXNURJSA-N 485.798 7.388 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1cccc(Cl)c1 408805790 HPXCQMWYSOFUKG-LPYMAVHISA-N 460.961 6.480 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1cccc2ccccc12 408859040 VOJZVSJKJBKCIT-RHANQZHGSA-N 450.494 5.938 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1Cc1cc(C)cc(C)c1 408873684 WFTUVSBZJANZOB-ZMOGYAJESA-N 473.016 7.109 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Cc1cccc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408876384 OECQUFDTUVRINV-WOJGMQOQSA-N 480.293 5.633 50 40 JKGB COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1OCc1ccc(Cl)cc1 408887129 ODCYSWIGJAVNLO-LGJNPRDNSA-N 481.961 5.311 50 40 JKGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)o1 408962684 ZYVIVXRXTLRGQC-NTFVMDSBSA-N 454.482 5.149 50 40 JKGB Cc1nnc(Sc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2[N+](=O)[O-])s1 408993280 VJTZIYZWLGQVGB-NTUHNPAUSA-N 457.924 5.105 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1ccc(C(=O)O)cc1 409043248 DLQFWNACZYDGBC-MNBJERMJSA-N 488.547 5.771 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccccc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409080113 LJHQZSRKVZDDPL-LDADJPATSA-N 454.404 6.869 50 40 JKGB N#C/C(=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)C(=O)Nc1cccc([N+](=O)[O-])c1 409085896 OYCUCSVVKYUZTM-DHDCSXOGSA-N 498.373 5.860 50 40 JKGB CC[C@@H](C)Oc1c(I)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OC 409209269 FBAVZBKIHZPERU-WPBJZHHJSA-N 478.286 5.449 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 409211919 PDZPSNHRUIZLHG-MTJSOVHGSA-N 495.362 7.282 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1O[C@@H](C)CC 409215949 GULMARNOYBCNLY-HZZGJGATSA-N 499.858 5.921 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 409246493 BYOJOQMXKBYIMU-NTFVMDSBSA-N 457.461 5.159 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 409270397 FITHBUFYCZKBRW-HAHDFKILSA-N 483.568 5.574 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(OC)c2)ccc1OC 409316383 XNGCBMDTUPUZTP-DICXZTSXSA-N 468.937 5.099 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1cccc(F)c1 409323482 OEPZOZPGTHYWHE-MUXKCCDJSA-N 486.927 5.238 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(Cl)cc3)c2C)cc1Br 409363443 LVNNWIXOVHIXSZ-RPPGKUMJSA-N 473.802 5.381 50 40 JKGB O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccc(CSc2nc3ccccc3s2)cc1 3226477 AKPRNRMKFFABLR-UVHMKAGCSA-N 471.529 6.371 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3c(s2)CC[C@@H](C)C3)ccc1OCc1ccccc1Cl 3402061 GVTHVILFGUIYIF-NKZWWHGNSA-N 469.006 5.878 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OCc2ccc(C)cc2)c1 8812718 GOXSSELVABSRIZ-AFUMVMLFSA-N 453.336 5.109 50 40 JKGB CC(C)(C)C1CCC(=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)CC1 9553679 ZAUXYAYFCNLTSH-UHFFFAOYSA-N 490.069 5.628 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCC(=O)c1ccccc1 13658409 BKLJFFFBASQLOB-NHDPSOOVSA-N 496.544 5.873 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(C#N)cc1 15227531 YKFPLTOUSDVBJE-ZMFRSBBQSA-N 461.319 5.238 50 40 JKGB C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)C(C)(C)C 20059477 AXMISBVMXAYFLI-NHFJDJAPSA-N 463.603 5.234 50 40 JKGB CC(C)c1ccc(-c2cc(C(=O)NN=C3CCN(Cc4ccccc4)CC3)c3ccccc3n2)cc1 20550421 RVKMAVYSMPIRPW-UHFFFAOYSA-N 476.624 6.407 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(Br)cc1 23382861 HQANSTLWCFBKCZ-XSFVSMFZSA-N 483.406 5.783 50 40 JKGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 32520533 IGCNEYRCVUTCPL-RPPGKUMJSA-N 485.396 5.691 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OC(C)C)cc3)o2)cc1 33706333 KBJJKMMZUPJMHE-RHANQZHGSA-N 471.557 5.817 50 40 JKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc1 97964871 MVEXFZMJVALTEW-MWAVMZGNSA-N 495.067 7.118 50 40 JKGB CCCCC/C=C\C[C@@H](Cl)[C@@H](Cl)CCCCCCCC(=O)[C@H](C(=O)O)[C@H](O)C[N+](C)(C)C 100500848 WZOYZEOQYHNNJM-AMMQXDRDSA-O 495.552 5.796 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(F)c3)NC3=C2C(=O)CC(C)(C)C3)cc1 100945500 BKILWQRQBSEXCZ-XMMPIXPASA-N 491.588 5.271 50 40 JKGB CC(C)=CCC/C(C)=C\C[C@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 105468531 BCPWMPCOEAOEDD-NBIOKQGKSA-N 481.416 6.082 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)c1ccc(C(=O)O)cc1 408540843 CCEFBQFUIWLDET-NHDPSOOVSA-N 459.299 5.662 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 408580208 BFGRJOPSXHFLMG-XDHOZWIPSA-N 454.751 6.754 50 40 JKGB O=C(NNc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408606501 MDIOOHHHYHOGJD-MRXNPFEDSA-N 488.346 5.208 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccc(C)cc3)n2)c1 408724459 KQLCEGZCMVJZCN-RUMWWMSVSA-N 486.575 6.287 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 408742817 CCQMSBXPYUPPPD-PGMHBOJBSA-N 480.524 5.851 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccc3ccccc23)cc1 408817153 ZTNXJJKJEONFAD-XQNSMLJCSA-N 464.521 5.982 50 40 JKGB CCN(CC)c1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1 408847466 MOUUDKMWVQOESX-OFWBYEQRSA-N 450.586 6.063 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408856489 CEMJHYHWFFZZIQ-CPNJWEJPSA-N 470.916 6.105 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)n1-c1ccc(Cl)c(Cl)c1 408889151 FDKQCYVWXWIXKS-OVCLIPMQSA-N 489.746 6.508 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)C(=O)NCCc1c[nH]c2ccccc12 408954015 QWEATRDJSSASEH-JCMHNJIXSA-N 455.945 5.666 50 40 JKGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 408964327 QUBOQZJZDHRXNK-BRJLIKDPSA-N 474.351 5.078 50 40 JKGB Cc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408968753 YQHXUCQDINIRDU-CVKSISIWSA-N 464.591 5.542 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Br)c2)c1C 408981668 CGSANBAREAROHK-WQRHYEAKSA-N 468.782 6.364 50 40 JKGB N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)c1ccccc1 409043335 DZRWCBXSALFACH-VCHYOVAHSA-N 487.166 6.994 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1C#N 409245162 OGUNPOJLTMBXII-NVIPHDJISA-N 471.944 5.584 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409254897 JPMVUWURECCISZ-IWIPYMOSSA-N 497.595 5.882 50 40 JKGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)c2C)c1 409390939 GHWBJHZTKLVZHN-NDZAJKAJSA-N 465.553 5.163 50 40 JKGB COC(=O)c1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c3ccccc32)o1 409393574 QSGHSEFPCUBFHY-WJDWOHSUSA-N 459.889 5.268 50 40 JKGB CC(C)(C)c1ccc([C@@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 1261450 ARLBHVVJLDILMP-IZZNHLLZSA-N 491.595 5.046 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(C)cc1 1776926 LGKKIOBCXJXZNR-VULFUBBASA-N 477.611 5.435 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1C 2335374 BBCLRZTYCJIXLY-HEQFHQOESA-N 488.012 6.022 50 40 JKGB Cc1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 6281414 YQDGDAILSZLFGK-UFLWPJNPSA-N 495.988 6.850 50 40 JKGB COc1ccc(/C=N/NC(=O)CSc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 6924750 VVCLKRHQHCWXKH-GEVRCRHISA-N 472.608 6.205 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1)c1ccc(C)cc1 9763691 ZEWALWYHVGLRRQ-VEILYXNESA-N 458.949 5.772 50 40 JKGB CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 12621439 IEZKWPJIXXCADC-QDLTXIOKSA-N 498.627 5.701 50 40 JKGB COc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 28215916 JSAIMHCPUDKVEX-RPPGKUMJSA-N 476.429 5.793 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 59116988 YGIJCYTZNJTTEF-YVLHZVERSA-N 487.770 6.780 50 40 JKGB Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3C#N)c(Br)c2)c(C)c1 216040547 FXDFDFWGRWSUFA-MBTHVWNTSA-N 476.374 5.209 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc21 223486989 ZRUBPAYXGOIXLY-ZDLGFXPLSA-N 454.401 6.949 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)c3ccc(Br)cc3)c2)cc1Cl 408581446 WVTOVRNWBAIWLR-YBFXNURJSA-N 481.777 6.493 50 40 JKGB O=C(NNc1ccccc1OCc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408611257 VPFZINDFSWVZAT-INIZCTEOSA-N 488.346 5.208 50 40 JKGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2Br)cc1 408743922 IFVUPMIFMLVQFN-BKUYFWCQSA-N 461.359 6.191 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc3ccccc3c2)cc1 408788977 NMTACUWCFGIQMC-KOEQRZSOSA-N 462.505 5.751 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1C#N 408797863 UAWJIEUFNONYEQ-SRZZPIQSSA-N 457.917 5.653 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OCc1ccccc1 408798831 XKPRBYBOSFEDAX-FYJGNVAPSA-N 490.943 5.650 50 40 JKGB CCCCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 408875861 LSUIOUZOFOXELR-AWSUPERCSA-N 483.656 6.084 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccc(Cl)c(Cl)c1 408896221 QNQVQRDXWRDQMD-KBKYJPHKSA-N 468.167 6.643 50 40 JKGB COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1 408897304 RIAHEDJTRQZTDD-CPNJWEJPSA-N 491.341 5.531 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)cc1 408930923 DWAVITMUCLDHQL-MUFRIFMGSA-N 450.464 5.668 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 408964389 GQJGYFRGHOIYDV-LQKURTRISA-N 465.465 5.837 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCc1cccc(C)c1 408968723 YGGLIAGBHGQBTQ-XODNFHPESA-N 496.336 5.120 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Br 408984744 JSICXLVIUKXKGS-MLPAPPSSSA-N 498.602 6.118 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 408999156 STDZKMJUASPGQJ-KBKYJPHKSA-N 481.166 6.316 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C(\C#N)c2nc3ccccc3o2)cc1 409049880 RELNGNIQTRTILV-MHWRWJLKSA-N 485.348 6.275 50 40 JKGB N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 409251924 RDJYYYLGMGEXER-JCMHNJIXSA-N 495.504 7.407 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1cc(C)ccc1C 409272751 SFGZZDSJOOKFMT-HAHDFKILSA-N 483.568 5.574 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)ccc1OC 409312163 DNSSXRMRBSMYRN-VYYCAZPPSA-N 473.356 5.744 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2ccc(C)cc2)ccc1OCc1ccccc1 409330414 AGRFKMFWXIJSIB-RGXNXFOYSA-N 494.591 6.316 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c1C 409392266 OODHCRMSCJXMMR-UXHLAJHPSA-N 471.988 6.038 50 40 JKGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1 1814553 WPVIKJNSESQMBK-JFLMPSFJSA-N 492.004 5.147 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 1915611 JJCCHBFRLGHXJM-SRZZPIQSSA-N 478.784 6.564 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1cccc2ccccc12 3067294 QAZIZPONDBMNAG-OKCVXOCRSA-N 493.390 6.888 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(C)cc1 4196418 NZAZGRXYTSSMKI-CIAFOILYSA-N 491.385 6.199 50 40 JKGB C/C(=N/NC(=O)Cc1cccc2ccccc12)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 8398817 RMFKBUTWFJHGHS-YKQZZPSBSA-N 455.945 5.828 50 40 JKGB C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1nc2cc(C)ccc2[nH]1 8990028 UDXMWUSZHTXTDH-RIYZIHGNSA-N 473.168 6.025 50 40 JKGB CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCc5ccccc5)cc4)c32)cc1 9242714 DEFHFUROKZCXRS-VWLOTQADSA-N 478.552 5.663 50 40 JKGB Cc1ccc(C(=O)N/N=C2/C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1Cl 9762936 OIUWFXLUOGBHML-HPNDGRJYSA-N 496.792 5.134 50 40 JKGB CC(=O)Nc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)c2C)cc1 9907223 BYKPSZJJNSVVRK-CPNJWEJPSA-N 477.362 5.361 50 40 JKGB Cc1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3cccc(Br)c3)ccc2O)cc1C 13858054 WXNKBTJQTRNUDR-ZGQMNJRFSA-N 481.350 5.716 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OC1CCCC1 36612696 YPLJEEFLBYALMM-FQEVSTJZSA-N 487.394 5.230 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC(=O)OC 59336445 GGJHZFFQNYXWKO-QPEQYQDCSA-N 483.735 5.143 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 59536227 GQIGLVJUJLLKNC-XDHOZWIPSA-N 460.364 6.851 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C(C)C)cc3)C3=C(O)CCCC3=N2)cc1C 104093830 CRWTXPMXKKVSNU-MHZLTWQESA-N 485.653 7.068 50 40 JKGB CC[C@H](C)Oc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Br 107818871 XIAGANXAMMITLU-KNGSKEOJSA-N 484.419 5.984 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 408582405 NVOZMOVITOCDSK-YBFXNURJSA-N 495.329 6.018 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1-c1ccc2ccccc2c1 408724258 JBPQATMILWAECN-RDRPBHBLSA-N 475.508 5.673 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1cccc(F)c1 408746089 XFFYLBLLSYNMRY-ODLFYWEKSA-N 495.348 6.030 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408777578 CKXLXKBPGYGFNC-BKUYFWCQSA-N 495.406 7.079 50 40 JKGB N#C/C(=C\c1ccc(Sc2ccccc2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408789618 QGVDWKNZFXTJTH-HEHNFIMWSA-N 452.535 6.555 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(OC)c2)cc1 408790231 OAISACOHOUQMMQ-KGENOOAVSA-N 474.488 5.136 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Br 408790688 XQMLZSYDARDHDA-CPNJWEJPSA-N 463.331 5.582 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc2ccccc2c1 408796535 PFBJHCNGULKKPN-BUVRLJJBSA-N 482.967 7.017 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1cccc(F)c1 408797403 RMYIXAOJWLZQQV-RGVLZGJSSA-N 464.924 6.311 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1 408805624 HJTPLGOJGGNWKQ-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 408822637 BMUABAMFXQCICI-XSFVSMFZSA-N 481.379 6.907 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(C)c(C)c2)ccc2ccccc12 408883366 QWVHAKUWJVZHMY-NLRVBDNBSA-N 460.577 7.144 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2cc(C)cc(C)c2)ccc2ccccc12 408894425 HZKHXXHKQLCQQN-NLRVBDNBSA-N 460.577 7.144 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1Cl 408897636 ZECAQIKBWMKWAM-KGENOOAVSA-N 487.386 7.580 50 40 JKGB N#C/C(=C/c1cccc(OCc2cccc(Cl)c2)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408937761 OPGUTEZFXWTJIX-XYGWBWBKSA-N 494.978 7.044 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 408940104 UDCWBLKCCDSBHD-MFOYZWKCSA-N 491.296 7.137 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2cccc3ccccc23)c(C)n1-c1ccc(C(C)(C)C)cc1 408966264 KYPYUQCDTNMXRH-YKQZZPSBSA-N 453.586 6.074 50 40 JKGB CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 409041931 LCRBNOBMUFIMPG-OQLLNIDSSA-N 478.184 5.855 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2cccc3ccccc23)c(Br)c1 409133813 QKJUDLXTSZVKRL-SANMLTNESA-N 499.364 6.105 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1 409252320 RTEHMWZBBWXJPZ-BKUYFWCQSA-N 473.960 5.828 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 409257470 PGHQOBRIIXFJCG-AFUMVMLFSA-N 478.302 5.463 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)CC(=O)N1 409325719 ACFIXRLYPZCPPG-INIZCTEOSA-N 490.810 5.122 50 40 JKGB CCOc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cccc1OC 409402271 JNXCCRJEWUMEFZ-UHFFFAOYSA-N 487.556 5.437 50 40 JKGB COc1ccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2ccc(-c3ccc(Br)cc3)o2)cc1 703885 MPFJFPFZRXNROC-FQEVSTJZSA-N 482.359 5.018 50 40 JKGB Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)[C@@H](Cl)[C@H]4Cl)cc2)c(C)c1 801484 URCMITFKECEGNF-FCHUYYIVSA-N 489.424 6.238 50 40 JKGB CC(C)(C)c1ccc([C@@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 1261449 ARLBHVVJLDILMP-CLJLJLNGSA-N 491.595 5.046 50 40 JKGB COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1OCc1cccc(Cl)c1 2078457 YYOFYYUVOANIJD-LGJNPRDNSA-N 498.029 5.780 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 2309794 KAJYGVFTDNGJMS-QFIPXVFZSA-N 484.408 5.794 50 40 JKGB CCOC(=O)c1c(CP(=O)(c2ccccc2)c2ccccc2)nc2ccccc2c1-c1ccccc1 3437718 LQLWZXKEMRCLOR-UHFFFAOYSA-N 491.527 6.593 50 40 JKGB CCOc1cc(Br)c([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC 3672639 OXHKXWFADQNVKN-OAQYLSRUSA-N 451.320 5.228 50 40 JKGB CC[C@H](C)c1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2OC)cc1 8860832 MTSQJKIFNRYAMD-BOJFNEGLSA-N 484.596 6.521 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C(=O)O)cc1 8993729 VNDPPMYZUPEYBD-ODLFYWEKSA-N 496.441 5.537 50 40 JKGB CC(C)Oc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCc5ccccc5)cc4)c32)cc1 9292711 FHWHFMNOMYSJPS-RUZDIDTESA-N 478.552 5.661 50 40 JKGB COc1ccc(CCCC(=O)N/N=C\c2c(OCc3ccccc3)ccc3ccccc23)cc1 13382084 UOIITCIXORCVTA-COEJQBHMSA-N 452.554 5.900 50 40 JKGB N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C\c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 13512777 QKHMTTXGMAZSLK-SDYGVVLCSA-N 467.519 5.626 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(Cl)c3)n2C2CCCCC2)cc1 16712440 AZYUZIOWRZWVHF-CVKSISIWSA-N 468.026 5.655 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1ccco1 20136704 ZRZHUTCJVMOEDT-XMMPIXPASA-N 499.592 5.356 50 40 JKGB O=C(NNC(=S)Nc1cccc2ccccc12)c1ccc(COc2ccccc2Cl)o1 20534012 CVLMLDYNJHPVCV-UHFFFAOYSA-N 451.935 5.297 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 20764841 DWAPISUVZGOXMX-LQKURTRISA-N 466.965 5.789 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCC(=O)Nc1ccccc1Cl 23723609 LMRIOBXWLCFBAP-SFQUDFHCSA-N 479.895 5.051 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)cc1C 27017284 JJIJYAPHAYWNOZ-QNGOZBTKSA-N 452.514 5.063 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cccc(Br)c1 33284874 NXESINXGXOWQCV-WQLSENKSSA-N 472.682 5.816 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 33571248 SVGYIBHJKJVNII-WQRHYEAKSA-N 493.922 5.359 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 33748223 QXDDQTDMLVCDOW-VYYCAZPPSA-N 477.608 7.534 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccccc1Cl 35104553 ZWUOAUBQVFQKPO-CFRMEGHHSA-N 474.387 8.188 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 59281420 RVCNGDJCMRZVCO-LICLKQGHSA-N 491.296 7.137 50 40 JKGB O=C(Nc1ccc(Oc2cccc3ccccc23)cc1)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br 101052585 ZUSLMGRVOGXUNI-CLQFEJHXSA-N 478.342 5.142 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccccc1Cl 207148420 DEXRYQDGYWJGGB-JCMHNJIXSA-N 460.961 6.426 50 40 JKGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc21 208466091 AXSBOMKBLLMJDJ-UXHLAJHPSA-N 474.004 5.358 50 40 JKGB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H]5CC[C@@]4(C)[C@]3(O5)C(=O)[C@@H](Br)[C@@]12C 253501324 XDHSPKUJYNEBHS-BWZOWEEISA-N 481.471 5.308 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1cc(Cl)ccc1Cl 408675773 ANXFMDJTBAWIBI-JFLMPSFJSA-N 455.389 5.765 50 40 JKGB O=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccc2c(c1)CN(c1cccc(C(F)(F)F)c1)C2 408728995 WWFCQMGFEXGQFY-KYMQWJLESA-N 478.301 6.296 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccccc1Cl 408746042 WTHDXBVTVBFVQW-ODLFYWEKSA-N 467.352 6.435 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408803579 QSGJXRVXNVMIGV-WRNUTHQKSA-N 456.546 5.508 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)cc2Br)c1 408806153 AARSFWNMDNBYQA-ZDLGFXPLSA-N 499.767 6.675 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408810414 JRWMRHOWRYIPOL-ROBMAMTRSA-N 495.790 5.437 50 40 JKGB Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C 408816727 SCXHOCBPSWZONB-TURZUDJPSA-N 488.587 7.007 50 40 JKGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 408837994 BEKMOSPTINRVMI-VULFUBBASA-N 455.345 5.076 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc(Cl)c1 408868105 LLDHGQQRNYETHV-VCHYOVAHSA-N 486.196 6.892 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1Cc1cc(C)cc(C)c1 408871921 ZOVHHXGTWRLIDT-FSJBWODESA-N 458.989 6.719 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1cc(Cl)ccc1Cl 408880740 KQXKJSMFQOUSIY-CPNJWEJPSA-N 487.342 6.911 50 40 JKGB CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1 408899860 RDKNGIRZQOZDQD-AWQFTUOYSA-N 460.553 5.028 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccccc1C 409006029 HBUXVWDAKKMJNI-HMAPJEAMSA-N 469.541 5.184 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)ccc1OCC(=O)Nc1cccc(C)c1 409044991 WYLRWNONYPTKGR-XSFVSMFZSA-N 453.498 5.617 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccccc1C#N 409199748 DDZGQWWFNDVQQK-JMIUGGIZSA-N 490.313 5.881 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 409208597 HBVLPYFLZOPNPI-WQRHYEAKSA-N 453.267 6.140 50 40 JKGB COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1OC 409314879 UEPGNJLOILVLTO-PPDIBHTLSA-N 493.774 6.007 50 40 JKGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)=C2C#N)cc1 639232 FCPVSASPIGRKBF-HNNXBMFYSA-N 479.911 5.378 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)NCc1ccco1 1096203 MXUVZBCOZDJCLM-LDADJPATSA-N 460.331 5.268 50 40 JKGB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 1258906 OTBFDAGKBFEHHR-GZTJUZNOSA-N 496.972 5.808 50 40 JKGB O=C(CCCc1ccc(N(CCCl)CCCl)cc1)Nc1ccc(Br)cc1 1728396 BKAABHXMEXDARY-UHFFFAOYSA-N 458.227 5.695 50 40 JKGB O=C(c1ccc([N+](=O)[O-])cc1)[C@H](Br)[C@H](Br)c1ccnc2ccccc12 1754513 OVEVOPGYRGCOMR-IAGOWNOFSA-N 464.113 5.225 50 40 JKGB in-vitro Cc1ccsc1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1 1806912 IUHXFLVGWOXWOE-ZMOGYAJESA-N 474.055 5.716 50 40 JKGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 2204039 SZNPOZBEXWAYOI-JOCHJYFZSA-N 456.885 5.244 50 40 JKGB N#C/C(=C\c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)C(=O)NCc1ccccc1 2449615 OUNJCMCDQOWQBG-SFQUDFHCSA-N 491.334 5.017 50 40 JKGB Cc1cc(C(=O)N/N=C/c2sc(Nc3ccccc3)nc2Cl)c(C)n1-c1ccc(F)cc1 2657756 CMKOTOLVNCTYSX-LGJNPRDNSA-N 467.957 5.851 50 40 JKGB O=C(NNC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1)Nc1cccc(Cl)c1 3226590 KXSYEOSPTPIMAE-UHFFFAOYSA-N 458.305 5.104 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(Cl)cc1 4196336 NXVDXIVSUFWBGF-VCHYOVAHSA-N 489.196 7.408 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccccc2)N1 8934524 OWAOJVLXMGIXFQ-XMMPIXPASA-N 455.539 5.230 50 40 JKGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OCC 14151933 VUUCGWQJHWPAEB-MHWRWJLKSA-N 465.962 5.108 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Br)cc(Cl)c2O)c(Cl)c1 15223715 ONAYMAUFTPGVPL-YSURURNPSA-N 481.177 5.633 50 40 JKGB C/C(=N\NC(=O)COc1ccccc1C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 58917060 NXIHVZPLEXTWHF-JLVBBSAUSA-N 451.570 5.741 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 59335011 CCOYLCXOJYTDMZ-NDENLUEZSA-N 481.379 6.825 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12 59536094 FHSGEVQTZYLHLS-JLPGSUDCSA-N 450.494 6.790 50 40 JKGB Cc1ccc(C(=O)N/N=C2/C(=O)N(Cc3cccc4ccccc34)c3ccccc32)c(Cl)c1 100811878 JONWKGFDGQYIBC-XLVZBRSZSA-N 453.929 5.483 50 40 JKGB CCCCSc1[nH]c(-c2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102937826 ILWXAPOLJAQZHO-UHFFFAOYSA-N 493.636 6.588 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408549215 QXNDLUOYJNWBQF-MSXFZWOLSA-N 469.924 6.843 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3ccc4ccccc4c3)cc2Cl)cc1 408553519 ZSTUFMYRWVODJZ-OYKKKHCWSA-N 452.941 6.883 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccccc1Cl 408567960 QWSDUTYBZCHKLX-STBIYBPSSA-N 458.945 5.774 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc(Cl)c1)c1ccc(Cl)cc1 408581548 XTOLGSYTULNDLQ-WOJGMQOQSA-N 459.170 7.399 50 40 JKGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 408615191 NCCAINLLJYOHFZ-MZJWZYIUSA-N 486.355 5.060 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Cl)cc1 408745650 USGAQJFZKSNGEO-JAIQZWGSSA-N 451.353 6.735 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OCC)c2)cc1 408791937 FNHIGOKTVSKMAH-HYARGMPZSA-N 490.987 6.571 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1ccc(Br)cc1 408793812 GRSAQFOUOHTGOB-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 408795692 MSUYTGKGMFPALQ-XDHOZWIPSA-N 492.329 5.790 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)cc2)cc1 408799772 KXZULRZABYPOFK-LFVJCYFKSA-N 454.526 5.605 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1c(C)cc(C)cc1C 408810230 LUGLACHZJNPYSG-OEAKJJBVSA-N 489.015 7.097 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1OCc1cc(C)cc(C)c1 408888287 YPTXACVJYUJQAK-ZVHZXABRSA-N 489.015 7.043 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccccc1C 408925650 VIEUZYMCOGJLHC-XODNFHPESA-N 491.802 6.697 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1cccc([N+](=O)[O-])c1 408983118 KQWGZTQPOUIHPG-XKZIYDEJSA-N 487.943 6.410 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1cc(OC)ccc1OC 408987035 UXFVSTPGFUZXAX-CPNJWEJPSA-N 492.959 5.881 50 40 JKGB Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1 409042327 MJSCHHDTNHWSCU-SRZZPIQSSA-N 465.380 7.043 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2[C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1 409123468 CADACDWDXMALRZ-QHCPKHFHSA-N 478.390 5.067 50 40 JKGB C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OC)c1OCc1ccc(Cl)cc1 409230117 BNTQTFYDWCCPIR-MWLSYYOVSA-N 466.940 5.488 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)NCCCc1ccccc1 409234203 NGOQWXCGUMDSTO-JCMHNJIXSA-N 465.380 6.228 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1C 409257177 RKCUKRGVHLJNLO-UNOMPAQXSA-N 494.378 6.173 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1OCC 409314835 HPHGTFZXUGQPFH-RHANQZHGSA-N 478.520 5.141 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 1103847 AKZSULXIEZHTTF-KAMYIIQDSA-N 496.386 5.294 50 40 JKGB N#C/C(C(=O)Nc1cccc(Cl)c1)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2269156 FFKSIZPNNCLPDU-WTALZMIHSA-N 494.403 6.058 50 40 JKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)/C(=C\c1cccs1)NC(=O)c1ccccc1 3018123 IRXLAMSMWCMDNY-MXIVQFDBSA-N 475.573 5.976 50 40 JKGB ClCc1ccc(-c2cc(-c3ccc(CCl)cc3)cc(-c3ccc(CCl)cc3)c2)cc1 3123615 AMGIKSOVIQLLIM-UHFFFAOYSA-N 451.824 8.904 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 9933353 DDJXOQLLBNXPKW-AUEPDCJTSA-N 461.330 5.143 50 40 JKGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 12555993 YYGCKRUDGPYPQU-LICLKQGHSA-N 450.882 5.210 50 40 JKGB Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 13174253 UDXJITXOYIHYRS-QHCPKHFHSA-N 478.017 5.758 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 30817703 OWGSTGWEKXDMCM-ZRGSRPPYSA-N 477.731 5.639 50 40 JKGB CCOc1ccc(-c2cc(C(=O)N/N=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[nH]n2)cc1 32916795 MFGMPVSONLLUOM-NTFVMDSBSA-N 462.594 5.540 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1ccc(Cl)cc1 33429786 BLVTVHVVDZSCCJ-ODLFYWEKSA-N 478.379 7.220 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59417180 KNPZKHNEDARFTM-MBTHVWNTSA-N 487.434 5.497 50 40 JKGB O=C(N/N=C1/CCCCc2ccccc21)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 103383741 MZMPVEPMTDBKTC-ROMGYVFFSA-N 467.978 5.001 50 40 JKGB CCCCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)F 103528687 MVGPEYWZFJIDDD-NRFANRHFSA-N 490.476 9.784 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccccc1 408552087 NZSCGGHMZTVDGD-LZYBPNLTSA-N 492.189 7.382 50 40 JKGB Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 408568129 IAMPIJORSREYCV-HMAPJEAMSA-N 496.973 7.406 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccc(Cl)cc1Cl 408580325 OJCGAFBWKOKMTM-CXUHLZMHSA-N 493.615 8.052 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 408583944 YXAGYHQSWIVZRU-GZTJUZNOSA-N 490.364 5.842 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408599076 OJAXKFPNDDIOGF-OGLMXYFKSA-N 475.545 5.634 50 40 JKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)cc1 408599101 OTEUDIPOCIRRFI-ZMOGYAJESA-N 470.323 5.679 50 40 JKGB O=C(N/N=C\c1c2ccccc2cc2ccccc12)c1ccc2c(c1)CN(c1ccc(F)cc1)C2 408728400 LHPAKUUBHFMMSA-KYHGBAKBSA-N 459.524 6.416 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(OCC)cc3)c2C)c1 408744328 KLLAJGIZOJTTDT-JCMHNJIXSA-N 457.530 5.215 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(C)cc1 408747813 UDMUSJYPYBNUDX-UUYOSTAYSA-N 491.385 5.569 50 40 JKGB N#C/C(=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408752861 CVELVNYJCXSJJY-YBEGLDIGSA-N 482.279 5.666 50 40 JKGB CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 408769354 RXRAOLPCCFOZEE-UUASQNMZSA-N 451.723 5.252 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OC(C)C 408801412 APLGGYKDVTWIPM-RQZCQDPDSA-N 490.341 5.250 50 40 JKGB Cc1ccc(Sc2oc(/C=C(/C#N)c3ccc(Br)cc3)cc2Br)cc1 408909292 GFJOWGHQRWTIJR-GDNBJRDFSA-N 475.205 7.328 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408956123 YSSNDYDITPSXEZ-SXGWCWSVSA-N 454.313 5.645 50 40 JKGB O=C(/C=C/c1ccccc1OC(=O)/C=C/c1ccccc1)NNC(=O)c1ccc(Cl)cc1Cl 409037823 UEUAPKAIZIGLOX-QYFSLLALSA-N 481.335 5.087 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)NC1CCCC1 409191031 YYBIPGUVPJHYFR-SXGWCWSVSA-N 477.761 5.786 50 40 JKGB Cc1cccc(NC(=O)Cn2cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)c3ccccc32)c1 409249029 IYJMETYAONKLAY-BNDVRQRFSA-N 462.553 5.373 50 40 JKGB Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1C 409270414 FREYNHXYIUYDBW-ZHZULCJRSA-N 459.933 5.520 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(C)cc4)c(Cl)c3)[nH]c2c1 409392920 UCCPOLGSTLLVMZ-NVMNQCDNSA-N 464.352 6.830 50 40 JKGB N#C/C(C(=O)Nc1ccccc1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 1790529 GDZSSTSOMMPSCI-CKVBZJJFSA-N 494.403 6.058 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c(O)c1 3407874 QLHYBICDLOAZAA-LQKURTRISA-N 459.933 5.814 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 4472775 GKUMYRXVNIGYKL-IMRQLAEWSA-N 474.560 6.699 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)c1 8811199 ZLDPHKJZVCIKRE-MUFRIFMGSA-N 474.944 5.853 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccncc1 9272101 NGNWAIBNNMBHLU-TWKHWXDSSA-N 498.656 5.568 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 9432046 JBWILWJFRKTSIZ-ITYLOYPMSA-N 492.605 5.299 50 40 JKGB CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 12137577 JNEXJARTTOUFCG-RUZDIDTESA-N 487.600 5.163 50 40 JKGB CCC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(C(C)(C)CC)c1 12563877 AUJGNUHPBPURRC-TURZUDJPSA-N 467.610 6.279 50 40 JKGB Cc1cc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Sc2nc3ccccc3s2)c(C)o1 13304718 ZPNKVMWAGRLQNY-VULFUBBASA-N 487.610 5.915 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)o1 13943709 WSEYYFXCRLXESF-YUMHPJSZSA-N 455.470 5.359 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 16399912 ANWONUZZQQBNJL-LICLKQGHSA-N 496.292 5.621 50 40 JKGB N#C/C(=C/c1ccccc1[N+](=O)[O-])c1nc(-c2cc3cc(Cl)cc(Cl)c3oc2=O)cs1 16448910 RGIILDDGSCUDOX-ACAGNQJTSA-N 470.293 6.196 50 40 JKGB O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCCCCCC1 16479154 NBXYDTNOSUXYGV-UHFFFAOYSA-N 497.705 5.697 50 40 JKGB C=CCSC1=C(C#N)[C@H](c2ccccc2Cl)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 19880004 NGWHSQAGOZMKNL-QKLQHJQFSA-N 484.952 5.493 50 40 JKGB COc1ccc(OCCOc2ccc(/C=C(C#N)/C(O)=N/c3nc4ccccc4s3)cc2)cc1 41108884 BUOJWDFHAKKNBW-KNTRCKAVSA-N 471.538 5.958 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccc(C)cc1 96838653 LGDCWGPESYDDSE-DICXZTSXSA-N 473.485 5.391 50 40 JKGB ClCCN(CCCl)c1ccc(/C=N\N=C\c2ccc(N(CCCl)CCCl)cc2)cc1 104341918 HQJWFFOHXOAQGJ-HJVIKEODSA-N 488.290 5.708 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)c1ccccc1F 108099443 BAZYORSOSRITMZ-WQRHYEAKSA-N 452.279 5.930 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCC)c(Cl)c2)c(C(=O)OCC)c1C 408547207 VGJYUGLIIYGSSA-MHWRWJLKSA-N 489.977 5.181 50 40 JKGB O=C(N/N=C(\COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1)c1ccc(O)cc1 408734539 ZBAVGCDHJVVRNB-UUDCSCGESA-N 480.608 6.073 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccccc1Cl 408795275 UYUQBJIILOWBAJ-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2Br)c1 408795690 MHXJHXLNMAZEFH-RGVLZGJSSA-N 495.804 6.844 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(C)c1OCc1ccc(Cl)cc1 408849766 YWYHXJQDTGUNHN-DEDYPNTBSA-N 451.353 6.735 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OCc1ccc(Cl)cc1Cl 408897162 WNICPXQBCMDMLA-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1cc(Cl)ccc1Cl 408904782 ONPVLUADYCOLMG-GATIEOLUSA-N 471.300 5.819 50 40 JKGB O=C(O)COc1ccc(/C=N\NC(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1Cl 408945925 OHGUNBGKQFFLGL-QDTIIGTASA-N 481.980 5.499 50 40 JKGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)c(Sc2ccccc2)o1 408995203 AVEMLVCSAJLORM-SRZZPIQSSA-N 492.376 5.344 50 40 JKGB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)NN(c2ccccc2)c2ccccc2)c2ccccc2)cc1 409002467 NPVYJKMZLISPSF-MHZLTWQESA-N 485.609 5.274 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)Nc1ccccc1Cl 409043542 RQUZBMPUPKSPBZ-LZYBPNLTSA-N 492.189 7.425 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1cccc(C)c1 409047713 QDLJLLWQPKDNNT-UYRXBGFRSA-N 475.932 5.220 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2cccc3ccccc23)c(Br)c1 409133812 QKJUDLXTSZVKRL-AREMUKBSSA-N 499.364 6.105 50 40 JKGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c2ccccc21 409212507 QGCQHFIHPCSEDN-CCVNUDIWSA-N 458.974 5.457 50 40 JKGB Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1C 409255923 MAHIXFXDZDMTDF-XSFVSMFZSA-N 459.933 5.520 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 409268123 QBSMSVXQPMUHRM-FYJGNVAPSA-N 473.960 5.828 50 40 JKGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OCc2ccc(Cl)cc2)c1 1439535 WFEONLROIBZITC-CPNJWEJPSA-N 476.916 5.260 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 1912684 TVWIPGSVMYAQMG-SFQUDFHCSA-N 468.376 5.907 50 40 JKGB CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1 2321955 JOHLWDGMDFVJHJ-OBGWFSINSA-N 452.576 5.528 50 40 JKGB COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@H]1c1ccco1 4691660 WTJBBABIOBVHAL-SANMLTNESA-N 499.592 5.547 50 40 JKGB O=C(O)c1cccc2c1N[C@H](c1ccccc1F)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21 6445637 PTUQDKITXDSGSS-PYRBGSSCSA-N 498.963 6.471 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1 8837685 ZMBXALCGJVUTLZ-CIAFOILYSA-N 494.023 5.025 50 40 JKGB O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 8843128 LVUZHUOCNVACGW-YSURURNPSA-N 498.229 6.399 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OCC)c3)c2C)cc1 15012389 UPLVJMDGNOBVIQ-JCMHNJIXSA-N 457.530 5.215 50 40 JKGB CO[C@H](C(=O)N/N=C/c1c(Br)c(C)n(-c2c(C)cccc2C)c1C)c1ccccc1 20243808 GKWFLXKUEMLGET-XHEHIBSSSA-N 468.395 5.311 50 40 JKGB CCOC(=O)C1=C(n2c(C)cc(/C=N/NC(=O)Nc3ccc(C)cc3)c2C)S[C@H]2CCCC[C@H]12 32107159 AUYFHUKDPARSMI-GYJSOHOCSA-N 480.634 5.606 50 40 JKGB Cc1c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc2n1Cc1ccccc1F 33389279 HVGUHFDQKKZZOI-CCVNUDIWSA-N 486.528 6.024 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(Cl)cc1 59116987 TVNGPHMNZFSXMX-BOPFTXTBSA-N 457.744 6.771 50 40 JKGB O=C(C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1 104080806 WAGGYIMEXJNQMY-UHFFFAOYSA-N 461.339 5.358 50 40 JKGB CCCCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 108056997 MJIWDVGTNOZCHS-ATVHPVEESA-N 472.339 5.862 50 40 JKGB Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cccc(Br)c1)[C@@H](C)CC(C)(C)N2C 208231825 XYSUQWNZPQEQET-PMFHANACSA-N 452.396 6.025 50 40 JKGB CCCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OCC 408529498 HLWBZERBOHZAKP-CEUNXORHSA-N 476.573 5.616 50 40 JKGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408607927 FRUFSLODQXSZPT-RWPZCVJISA-N 498.366 5.226 50 40 JKGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 408609600 KIYGYZIFWXDWJD-RWPZCVJISA-N 498.366 5.226 50 40 JKGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 408724143 GIRQZFDNBUEIGJ-MTDXEUNCSA-N 461.481 5.365 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)o1 408743268 FLAZYXFYDOGJFW-UVTDQMKNSA-N 452.264 5.471 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408745261 QRHBBWAAUBNRNV-UNOMPAQXSA-N 497.378 6.525 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)c1 408746888 XKLYVDWVEGCMOV-JMIUGGIZSA-N 492.362 6.388 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 408749583 QUVNWVCLPOLOEG-AUEPDCJTSA-N 468.134 5.788 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(C(C)(C)C)cc1 408784406 BNVOZYAPOQNODG-UYRXBGFRSA-N 466.412 7.244 50 40 JKGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC 408794778 SWQQJPCVSRVVTK-HAVVHWLPSA-N 452.510 5.222 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(Br)cc1OCc1ccccc1 408852121 CKBZXXNAEJINAI-VULFUBBASA-N 471.326 5.330 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc3ccccc3c2)cc1)c1cc2cc(Br)ccc2o1 408859317 VQOHEFKVIQGXIS-MWLSYYOVSA-N 499.364 6.691 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1Cc1ccccc1F 408864913 AZNDXNIICVTPST-YBFXNURJSA-N 479.349 6.042 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)cc1 408890188 PKHAYCASGOLMKK-DEDYPNTBSA-N 480.973 5.579 50 40 JKGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408906717 DJCDSOMNPWOTIR-RAQUAXEKSA-N 474.344 5.061 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c(C)c1 408909306 HCCHVICYBWQHNH-OCSSWDANSA-N 457.549 5.619 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccccc1C 408922127 DIMJEOQICKBNBM-MUFRIFMGSA-N 458.945 6.153 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccccc1 409229282 MOELCFYFPLAEHE-IQUBBUBFSA-N 455.561 6.627 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccccc3Cl)c2)c1C 409256482 OTLCRWUVRKGWHX-MOSHPQCFSA-N 459.933 5.520 50 40 JKGB Cc1ccc(CP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)c(F)c1 575436746 REBXZILDKHXOAH-UHFFFAOYSA-N 465.346 6.474 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)c1 2194082 ZAPKLNBDKWUWRW-YDYXIROLSA-N 457.530 5.199 50 40 JKGB CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1c(Cl)cccc1Cl 3175176 VTXKLNHJSSYXCK-SAMQYFKISA-N 480.189 6.217 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@H](c3ccc(F)cc3)Nc3c(Cl)cccc3[C@@H]2[C@@H]1Cl 8426177 KBFKAEYOXGRGEG-XVAAYUMESA-N 489.399 7.426 50 40 JKGB COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccccc3Cl)nnc2-c2ccccc2)cc1 9076605 NFJFIEQKFIIDNT-WPWMEQJKSA-N 492.004 5.229 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c(F)c1 9323125 MMSYWKRCHHEVJM-IPBVOBEMSA-N 476.722 6.000 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 12284783 XSMUKRHWCAHCNZ-YRNVUSSQSA-N 462.676 6.361 50 40 JKGB C/C(=N\NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccccc1OC(F)F 12565959 LGFAJLYGCISWOD-LQKURTRISA-N 456.518 5.141 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 14134817 CIUUNAVGDQGJMC-DHRITJCHSA-N 473.754 5.454 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 33416779 NYPDQJKQEMFPDN-WQRHYEAKSA-N 495.348 5.987 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 34828634 NYOMQUBNCYXQBJ-KCSSXMTESA-N 494.978 6.998 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1OC(C)=O 44835377 WJTCSUGQQWCPBV-LZYBPNLTSA-N 455.333 5.571 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1cccc(Cl)c1 59201965 FWEFXPBZBUQHNG-LPYMAVHISA-N 460.961 6.480 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1ccccc1Cl 59224982 OOKPBVZXHPOQPL-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1c(Cl)cccc1Cl 59254516 KDCYNXLMFCQONR-MHWRWJLKSA-N 498.322 6.035 50 40 JKGB COCc1cc(C)nc2sc(C(=O)N/N=C/c3ccc(Br)cc3)c(-n3cccc3)c12 78547552 GQBGFNIAUYHJRU-WYMPLXKRSA-N 483.391 5.068 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc(/N=N/c2ccccc2Cl)ccc1O 102515516 WSRFAWHDAJTJCH-HCHSGZHCSA-N 484.943 6.657 50 40 JKGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)C3=C(O)CCCC3=N2)cc1 102567714 RYXGAWCQDSQEFT-RUZDIDTESA-N 473.598 6.035 50 40 JKGB FC(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103528821 XKABHVVVNXLIEE-UWTATZPHSA-N 491.988 5.846 50 40 JKGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 107544833 YWGAKIKBCVIMBF-WKULSOCRSA-N 469.928 5.183 50 40 JKGB CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCl)CC[C@]4(C)[C@H]3CC[C@]12C 118918083 PRYJZWFEVZHKQI-XQBPZEDMSA-N 477.173 8.857 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC 408538452 NBEZXMBIPPRNKY-PGMHBOJBSA-N 485.024 7.032 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408580228 NDKAINWAWLUFQM-WOJGMQOQSA-N 454.404 6.787 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C)cc2)cc1OC 408580892 SJMOAFMADIDDRT-CIAFOILYSA-N 464.359 6.418 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)ccc1O 408732922 UOQSNOBTNCEPBV-RUMWWMSVSA-N 487.559 6.289 50 40 JKGB O=C(N/N=C/C=C/c1ccccc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 408741828 NYWAEDUQHBNRBU-CYYSVXODSA-N 467.572 7.240 50 40 JKGB C/C(=N\NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(Br)cc1 408775981 LPIYBCOVRNKMTK-OVVQPSECSA-N 462.391 5.161 50 40 JKGB C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 408783602 OZJMGAVJYILFIJ-YZSQISJMSA-N 490.412 5.038 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 408794149 HXJGRMZDAJOXCT-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1 408797362 RJPMNGDLTSBLER-UDWIEESQSA-N 481.379 6.825 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2n1Cc1ccc(Cl)cc1Cl 408804807 BKPBTTJLIJBLKG-YORCEQBRSA-N 480.439 6.907 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C)c(C)c1 408805381 APAYWLCDYZPXRA-FSJBWODESA-N 474.988 6.707 50 40 JKGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c(C)n1-c1sc2c(c1C#N)CCCC2 408815640 IHSQNUZGOQRMHV-NRWZVCNVSA-N 491.624 5.114 50 40 JKGB O=C(N/N=C/c1ccccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 408839516 UCDKOKAYLWZGQZ-UXHLAJHPSA-N 497.938 5.575 50 40 JKGB CCOc1cc(OCC)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 408854797 BLUMDPAQDURUSW-JYRVWZFOSA-N 484.177 6.099 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1 408859667 YXADKLKQMYDDSY-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB COc1cc(/C=N/NC(=O)/C=C/c2ccccc2Cl)cc(Br)c1OCc1ccccc1 408863090 PCVKQTKZCGMRBC-IESDDESDSA-N 499.792 5.854 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1c(Cl)cccc1Cl 408887837 RPCZNNJUDBPIKI-JLHYYAGUSA-N 462.130 6.562 50 40 JKGB Cc1cc(NC(=O)N/N=C/c2cc(Br)cc(Cl)c2O)ccc1Br 408904762 OGRMJMQYNMLBRO-FBCYGCLPSA-N 461.541 5.035 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(Cl)cc1Cl 408951039 KTOLIKXEVFWYGJ-NDENLUEZSA-N 477.395 6.148 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1 408981558 VTQQJCHIHVXKHV-YMSFFTPVSA-N 474.344 5.581 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)c1 408982033 FHXUEXHEMPDORA-MTJSOVHGSA-N 461.949 5.778 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)ccc1OCc1cccc2ccccc12 409179792 VBJMUQUJAOAIIX-UXHLAJHPSA-N 452.554 5.737 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 409256447 LHLFYTMAZPRCLM-WQRHYEAKSA-N 490.903 5.120 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1 409257451 OXQVWHOVHUVWSP-XDHOZWIPSA-N 494.378 6.173 50 40 JKGB Cc1ccccc1NC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 409260113 KZXXGRITPCODQV-CPNJWEJPSA-N 479.458 5.577 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2)cc1OCC 409320144 BYPWLAKBKSESAH-QRQIAZFYSA-N 464.949 5.646 50 40 JKGB CCCCOc1ccc(/C=N/NC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)cc1 2203799 QVTXBVPJYHTQNN-OGLMXYFKSA-N 490.401 6.540 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(F)cc3)N(c3ccc(C)cc3)C2=O)cc1 2408041 RBYJHADLRRXOCC-GUNDDFSMSA-N 471.557 5.508 50 40 JKGB N#CC1=C(S)N(c2ccccc2)[C@H](/C=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)NC1=O 2670592 GLSUONZYFCGARF-OGECGYFKSA-N 468.365 5.894 50 40 JKGB N#CC1=C(S)N(c2ccccc2)[C@H](/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)NC1=O 2670596 QWHDDLHBTAHTHE-OGECGYFKSA-N 468.365 5.894 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCc2ccccc2Cl)N1 8892710 OIVDHCMKTYFQHX-HSZRJFAPSA-N 461.974 6.201 50 40 JKGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1ccc(-c3ccc(Cl)c(Cl)c3)o1)CO2 9396943 SGTKFBZGLKOAFS-BOGNPUBTSA-N 473.356 5.841 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1COc1cc(C)c(Cl)cc1C(C)C 13756254 WQQAKWGXZBCEEC-CCVNUDIWSA-N 466.965 5.829 50 40 JKGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc1 18193396 IEXCWYJOTIGDKH-KLSDGDNHSA-N 451.570 5.155 50 40 JKGB COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(C(C)(C)C)cc3)cc2)cc1 23411092 MFQAQPOAZKVSHM-ZNOJSGPJSA-N 486.568 5.141 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Cl 33371434 MNDBLRFXVWVZPI-XMHGGMMESA-N 465.944 6.532 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)c1 33702025 CSQDHWDVMWVPRN-PDGQHHTCSA-N 475.570 5.287 50 40 JKGB N#CC(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)/C(O)=N/c1nc2ccccc2s1 41120775 QMEHRRDDPOYOFK-FMIVXFBMSA-N 495.314 6.422 50 40 JKGB O=C(CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31)N/N=C\c1ccccc1F 57061284 USKCAKINUZECDZ-HODYDLGBSA-N 472.608 5.671 50 40 JKGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c1 59473482 KCQRNEHJQIMXLM-OCSSWDANSA-N 468.622 6.419 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1 59474996 CERDSTBJXLQPLO-MTJSOVHGSA-N 491.385 6.199 50 40 JKGB N#C/C(=C/c1ccccc1-n1cncn1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 62591923 MEEOBSSTPRZDRO-APSNUPSMSA-N 481.368 5.167 50 40 JKGB N#CC1=C(SCc2ccc(Cl)cc2)N=C2CCCC(O)=C2[C@@H]1c1cccc(Cl)c1Cl 104120549 KSUVWEIXKIZFDN-HXUWFJFHSA-N 475.828 7.850 50 40 JKGB CC(C)=C[C@H](O)C/C(C)=C\CC/C(C)=C\CC[C@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@@]1(C)O 104232839 CMKAMRUVQONAPO-KMUAKUKDSA-N 474.726 6.612 50 40 JKGB Cc1ccccc1[C@@H](C#N)/C(=N\NC(=O)c1cc2ccccc2cc1O)C(=O)Nc1cccc(Cl)c1 104280073 KJHDIKSMXUGIOK-PBVMCSFVSA-N 496.954 5.539 50 40 JKGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c1C 408613013 YHQCDGSZUDGTLH-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408740792 MLVHIUOIFLYAPI-MUFRIFMGSA-N 491.360 6.013 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1cccc(C)c1 408744312 KHRMWVZPKOKGDC-MOSHPQCFSA-N 477.358 5.891 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)C(=O)NCc1ccccc1 408747205 KLOKNIXVLAQXDJ-JAIQZWGSSA-N 481.777 5.905 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc2ccccc2c1 408763462 FMMYYVLIMPMGRO-RCCKNPSSSA-N 499.504 5.061 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C 408773255 JQJMRXMNQSEWGJ-JWGURIENSA-N 474.992 5.438 50 40 JKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 408788303 DPJAHIZBUCGOFB-STZFKDTASA-N 453.517 6.162 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1cccc(F)c1 408788760 FZHAGKMCIKAYCB-DJKKODMXSA-N 499.369 6.964 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408799965 MCTCJUJEEIRMJD-KOEQRZSOSA-N 494.978 7.044 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(OCc2cccc([N+](=O)[O-])c2)c1 408815684 TTWDCNVLCRBYBR-FYJGNVAPSA-N 457.486 5.345 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(C)c(C)c3)ccc3ccccc23)cc1 408816576 UYCUFYKXPCCZEN-JJIBRWJFSA-N 462.549 6.590 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1Cl 408817464 WIYOYRGRWQLDBC-LFIBNONCSA-N 498.366 6.669 50 40 JKGB C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(C)cc2)cc1 408828223 DGKSUTZWQYABME-PXLXIMEGSA-N 458.945 6.338 50 40 JKGB Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3sc4cc(C)ccc4c3Cl)cc2)cc1 408839322 QQFMWTXGPIHWHH-UHFFFAOYSA-N 477.973 5.499 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cc1ccccc1Cl 408865733 DPCICIPJPYGJKU-UDWIEESQSA-N 461.905 5.783 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)c2C)cc1 408884986 WNUYCXXZRULTSS-XDHOZWIPSA-N 481.337 5.553 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)cc2)cc1 408889047 BBQKLQRIYKQQGS-LFVJCYFKSA-N 454.526 5.605 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1C 408982588 ICFKEEHAVPLMSL-ZDLGFXPLSA-N 464.909 5.518 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1cc(-c2ccccc2)nc2ccccc12 409036364 VVRDJIOJLRFSNI-BIZUNTBRSA-N 491.978 6.898 50 40 JKGB CN(C)c1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1Br 409137337 VTLYHNOBWDLMAG-LSFURLLWSA-N 475.239 5.205 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc2ccccc2c1 409216630 KEWBJTHCJUVRRK-MYYYXRDXSA-N 450.494 6.790 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)NCCCc1ccccc1 409231064 BATPYRWCUXCAAQ-JCMHNJIXSA-N 493.376 5.823 50 40 JKGB O=C(COc1ccc2ccccc2c1Br)N/N=C/c1ccccc1OCc1ccccc1 3169139 QRPXQCFBJIQDIK-LQKURTRISA-N 489.369 5.710 50 40 JKGB CCOc1ccc(C2=CS/C(=C(/C#N)c3nnc4n3CCCCC4)N2Cc2ccccc2)cc1 3180679 QJZLMUROXVTPJF-VYIQYICTSA-N 469.614 5.843 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3232208 OLSUEPFENWETLO-BOPFTXTBSA-N 491.296 7.137 50 40 JKGB CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1 12250261 WYZJLLCKXMRNAK-JOCHJYFZSA-N 472.397 5.650 50 40 JKGB Cc1cc(C)c([C@@H]2[C@@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)c(C)c1CCl 17466547 DRMNCDXWRFSVIO-OYKXOOMRSA-N 492.022 6.761 50 40 JKGB Cc1cccc(CN2c3ccccc3C3=C([C@H](c4ccc(Cl)cc4)C(C#N)=C(N)O3)S2(=O)=O)c1 20558604 CJJGRABDUUZNGK-HSZRJFAPSA-N 489.984 5.175 50 40 JKGB Cc1ccc2nc(-c3ccc(N4C=CC(=C(C#N)c5nc6ccccc6s5)C=C4)cc3)sc2c1 26770963 WRGCYNXHTUOMFI-UHFFFAOYSA-N 474.614 7.706 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)Sc1nc2ccccc2s1 33676625 UEJRXRXJHKVFJG-GXDHUFHOSA-N 484.356 6.884 50 40 JKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c1 59087075 GYWXBMMWDCUNOV-ULJHMMPZSA-N 454.574 5.093 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1F 59245246 XJTBHKARPJTKQB-XDHOZWIPSA-N 450.897 5.921 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 59410816 AVQBDEQUPMXAFQ-LGJNPRDNSA-N 487.781 5.762 50 40 JKGB CSc1c([P+](c2ccccc2)(c2ccccc2)c2ccccc2)nc(-c2ccccc2)n1C 97982979 UULFXFLSOBHCJA-UHFFFAOYSA-N 465.582 5.428 50 40 JKGB Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1 103871351 DBQKHJOAFGWNET-JOCHJYFZSA-N 498.073 6.987 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3C(F)(F)F)o2)cc1 108042707 JUUGFACZVDXGMF-MNDYBZJGSA-N 481.474 6.049 50 40 JKGB Cc1sc([C@@H](N)[C@@H]2CCCCN2C(=O)OC(C)(C)C)nc1CO[Si](C)(C)C(C)(C)C 217390054 JFBUFFPBGWMVQM-ROUUACIJSA-N 455.741 5.763 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3nc4cc(C)c(C)cc4[nH]3)cc2)cc1C 408541912 FQTFYXHMRYKGGS-HMAPJEAMSA-N 450.542 5.878 50 40 JKGB COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408691755 OUUBCKQVDDFCRU-IUXPMGMMSA-N 498.797 7.191 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408725276 JCWXMAOORKEAKN-STZFKDTASA-N 457.486 5.427 50 40 JKGB Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Br)cc3)nn2-c2ccc(C)cc2)cc1 408726083 RXFSOKZDDJSWMR-JVWAILMASA-N 473.374 5.683 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c1 408744826 HPBPMNKNPZOSSJ-NVMNQCDNSA-N 485.342 6.656 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 408763223 IIFQUMQXNGTLQF-PDGQHHTCSA-N 480.351 5.865 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1ccc(I)cc1 408791213 XGTJNZXZOBDPLX-PDGQHHTCSA-N 458.730 6.416 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccccc2)cc1 408845558 KOUWBEPVSKDTIM-YKQZZPSBSA-N 463.537 6.183 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccccc1Br 408882628 PQSJARIQAXOYID-CPNJWEJPSA-N 493.357 5.678 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1ccccc1C 408895066 LSJZQHJPUWNJEM-LGJNPRDNSA-N 487.781 5.762 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 408899906 RTFBLMAQDGYFOZ-WYMPLXKRSA-N 488.725 5.354 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1 408954568 RNKAGZNHMJYPJS-JLPGSUDCSA-N 465.553 5.411 50 40 JKGB Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 409019073 VQPDCDGSSTUPBY-ZHDAQUIUSA-N 496.007 5.277 50 40 JKGB N#C/C(=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccccc1 409053913 DNTZAYIKGYDKRC-YBFXNURJSA-N 469.176 6.855 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(I)c1)c1ccc(Cl)cc1 409191731 LUHSBZOQNPASKL-ZMOGYAJESA-N 490.728 5.288 50 40 JKGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1OC 409323847 PXERHHHKGXOCKE-PPDIBHTLSA-N 493.774 6.007 50 40 JKGB Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1 409363026 KSDKDIKYRJCBPI-WGARJPEWSA-N 496.361 5.246 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 867522 WFPOUNXAEHMVDT-UKTHLTGXSA-N 456.227 5.302 50 40 JKGB Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2cccc(C(F)(F)F)c2)C2=C1C(=O)CC(C)(C)C2 1422432 JQEGXBGLTMWIHU-AREMUKBSSA-N 492.501 5.061 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCCSc1ccc(Cl)cc1 2179807 QUSHMQNPULPNHA-WGOQTCKBSA-N 455.967 5.069 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccoc2C)cc1COc1cc(C)c(Cl)cc1C(C)C 2754416 IYXDCLNAQMVNKF-UVHMKAGCSA-N 454.954 6.025 50 40 JKGB O=C(/C=C/c1ccco1)Oc1cccc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1 3068758 BIFKWSHXIGAWCG-SKUZHLSCSA-N 476.532 5.355 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(C)cccc3C)cc2OC)cc1 3299214 UKHCPTGTVKQOEY-KGENOOAVSA-N 456.498 5.086 50 40 JKGB CCOc1cc(Br)c([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OCC 3672647 LMCFIHWQFVTCLK-JOCHJYFZSA-N 465.347 5.618 50 40 JKGB N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@H]1c1cccc(OCc2ccccc2)c1 8917426 XCYHAEFKZOTBRH-AREMUKBSSA-N 464.477 5.296 50 40 JKGB N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 9057481 UWRXQFHSRQQOJA-FYJGNVAPSA-N 467.456 6.012 50 40 JKGB CCCCCCOc1ccc(OCCOc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2)cc1 13894319 YKHKJVYGGJNKSN-NJNXFGOHSA-N 486.568 7.076 50 40 JKGB COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)Cc1ccc(Cl)cc1)oc1ccccc12 16136986 GECDRTFTZIZJFG-RWPZCVJISA-N 463.921 5.311 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccco1 58980127 OQQCHLHERYGLIE-LQKURTRISA-N 473.916 5.528 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1F 59333252 MKIOHWJMABWPTG-QOMWVZHYSA-N 481.571 5.389 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 59410707 LXYXRWNGIONYQU-RDRPBHBLSA-N 454.526 5.129 50 40 JKGB Cc1c(/C=N\NC(=O)COc2ccccc2-c2ccccc2)c2ccccc2n1Cc1ccccc1 67197066 GFQQQVFQJGHRIL-RGXNXFOYSA-N 473.576 6.194 50 40 JKGB N#CC1=C(SCc2ccccc2Cl)N=C2CCCC(O)=C2[C@H]1c1cccc(Cl)c1Cl 104135182 RGBYMRGOVZOYIL-FQEVSTJZSA-N 475.828 7.850 50 40 JKGB O=C(COc1cc(Cl)c(Cl)cc1Cl)OC(=O)COc1cc(Cl)c(Cl)cc1Cl 104156232 QLHBMSDNCXNNMB-UHFFFAOYSA-N 492.953 6.135 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc2ccccc2c1 108054411 OPGDZTFNOOHLII-JFLMPSFJSA-N 468.538 6.134 50 40 JKGB C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3[C@H](Br)C(=O)[C@@]21C 123293582 UBRJOFJFNRMMKB-HUYMVJCYSA-N 453.461 6.089 50 40 JKGB COc1cccc(-n2c(C)cc(/C=N\NC(=O)COc3ccc(C4SCCS4)cc3)c2C)c1 408570378 UKNHUULAWZVYED-YSMPRRRNSA-N 481.643 5.110 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3ccccc3Cl)cc2-c2ccc3ccccc3c2)cc1 408723912 AGDXWGMCRBUPGL-UXHLAJHPSA-N 464.956 6.418 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Br)cc1 408737954 LPKJHZRWUOKAPJ-BHGWPJFGSA-N 465.178 5.927 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccccc1F 408743885 VVWOLVUEXLKXCL-WQRHYEAKSA-N 481.321 5.721 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1 408746173 XWHHHWWXWKKANK-ZSOIEALJSA-N 486.709 6.125 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccccc1 408761849 HYJNXERPXNAMEH-SFQUDFHCSA-N 466.324 5.557 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccccc1I 408761857 IAPVRNBUYGJHSO-RGEXLXHISA-N 480.305 5.416 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc2ccccc2c1 408794437 SGFHMGXBUVKFAL-MFKUBSTISA-N 496.994 7.325 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2n1Cc1ccc(Br)cc1 408817431 VRRFUTSJPFFOCD-DTMXKTEGSA-N 490.445 6.362 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C)c(C)c2)c(OC)cc1Cl 408828077 LKTQHYFMEHSGLM-CIAFOILYSA-N 476.960 6.099 50 40 JKGB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)NNC(=O)/C=C/c4ccccc4)cc3)sc2c1 408838852 JGNDVYVCZCALGD-RIYZIHGNSA-N 489.984 5.590 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c([N+](=O)[O-])c1 408900127 SUVUJYHLUSHATQ-LICLKQGHSA-N 498.322 6.035 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1OCc1ccc(F)cc1 409075628 ZFHCHBPDXNIKNL-BUVRLJJBSA-N 470.544 6.304 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3o2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409077332 DQQVVFDVFYQGNY-XNTDXEJSSA-N 458.386 5.509 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 409079595 LBYFQJKTHKFRJS-LICLKQGHSA-N 492.875 6.111 50 40 JKGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 409112113 DZUCZYAQVZQSOA-SGWCAAJKSA-N 498.048 5.277 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1ccccc1 409236718 GUOILJMDCKGZEK-MLPWYGTASA-N 450.498 5.382 50 40 JKGB O=C(CCC(F)(F)C(F)(F)C(F)(F)F)OC(=O)CCC(F)(F)C(F)(F)C(F)(F)F 885164228 WLOHOUVDOCNHFX-UHFFFAOYSA-N 466.165 5.282 50 40 JKGB N#CC1=C(N)N(c2ccc(F)c([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 695921 KTUDEENZQLNLAY-HXUWFJFHSA-N 472.398 5.057 50 40 JKGB CN(CCSCCCl)Cc1ccc(-c2c3ccccc3cc3c2ccc2ccccc23)cc1 1705581 AXNANVZPXSKQMR-UHFFFAOYSA-N 470.081 8.217 50 40 JKGB O=C(ON=C1c2ccccc2[C@@H](Br)[C@H](Br)c2ccccc21)c1ccccc1 1854862 SGJHKIINOHKVDO-WOJBJXKFSA-N 485.175 6.182 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1 6973450 UOIITCIXORCVTA-TWKHWXDSSA-N 452.554 5.900 50 40 JKGB COc1cccc(-c2n[nH]c3c2[C@@H](c2ccc(OCc4ccc(F)cc4)cc2)C(C#N)=C(N)O3)c1 9281043 KEXHVLDIRNQUEX-QHCPKHFHSA-N 468.488 5.022 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)N3CCCCC3)N(c3ccccc3)C2=O)cc1Cl 12273761 VLEBRRDSDYAMAF-IVYNLYIOSA-N 466.006 5.087 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1C 12590825 XBSQMCFXQSNURW-UDWIEESQSA-N 451.353 6.735 50 40 JKGB CCc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 16162064 PGGQOYUVRANXJC-VWLOTQADSA-N 464.569 5.553 50 40 JKGB C/C(=N\NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1)c1ccc(Cl)cc1 20059265 KVISQFNZYPQTSQ-ZXVVBBHZSA-N 484.021 5.077 50 40 JKGB C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1cccs1 20233011 AFNYZSQBWQSNHI-NHFJDJAPSA-N 489.622 5.298 50 40 JKGB O=C(NN=C1CCCCCCCCCCC1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 20240670 CCQKAUNQSIFCJQ-UHFFFAOYSA-N 487.732 7.532 50 40 JKGB CCCCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N1 20348516 OJZDOEGINAVTIL-XMMPIXPASA-N 496.032 5.751 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)c(C)c1 27460908 HBQIUDGNONIJFV-MZOFLMDJSA-N 453.567 5.368 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)c(Cl)c1 28217439 WAYHQSNPAFHRNP-YSURURNPSA-N 465.724 5.726 50 40 JKGB CC[C@@H](C)c1ccc(OCCOc2c(Cl)cc(/C=N\NC(=O)Nc3ccccc3)cc2OC)cc1 30734546 LZNBMJAJPGYTKB-WWSGVFNASA-N 496.007 6.476 50 40 JKGB CCn1c(SCC(=O)N/N=C\c2ccc(-c3ccccc3)cc2)nnc1-c1ccc(C)cc1 30743113 VQPKZWKGAZYCTG-PKAZHMFMSA-N 455.587 5.183 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2s1 33470242 SFUXEAJATFYLKX-LGJNPRDNSA-N 499.508 5.485 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1c(C)n(Cc2ccccc2F)c2ccccc12 33709011 QWJUICRTIISYDE-KBVAKVRCSA-N 465.528 6.063 50 40 JKGB CCOc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)ccc1OCCOc1ccccc1C 41108896 SGAASYVZBWSGDW-LTGZKZEYSA-N 499.592 6.656 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1OCc1cccc(Cl)c1 59117363 NVBTUZIVYKXADA-GZTJUZNOSA-N 487.770 6.780 50 40 JKGB Cc1ccc(C(=O)NN(C(=O)c2ccc(C)cc2)c2oc(-c3ccc(C)cc3)nc2C#N)cc1 71195134 VTVSNJAGJLTRID-UHFFFAOYSA-N 450.498 5.130 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 408548938 NTVNETZNLKMKET-YVNNLAQVSA-N 494.805 8.452 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccccc1OCc1ccccc1 408567642 FZMGVOOZZIDWAT-WGOQTCKBSA-N 464.612 5.273 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OC(C)C 408578726 AMEHWSKANOMHSE-VGOFMYFVSA-N 455.179 7.006 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1OC 408581579 JBAZVEGMLYZIAU-WSDLNYQXSA-N 490.386 7.807 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccc(Cl)cc1Cl 408678351 XLZZJXPREIQSHH-MUFRIFMGSA-N 498.410 5.945 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1cccc(C)c1 408793437 FMAJNRMCTWEAEO-WSDLNYQXSA-N 460.961 6.399 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1cccc([N+](=O)[O-])c1 408794010 HNRGLLAIXAIWHU-YBFXNURJSA-N 477.904 5.772 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c(C)c1 408794933 UEDWXOFZOQUQQK-UDWIEESQSA-N 451.353 6.735 50 40 JKGB COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 408834526 UNKBQARURNNWRT-LDADJPATSA-N 453.325 6.127 50 40 JKGB CCOc1cc(C)c(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)cc1C(C)C 408857575 VCUOQNCFRHTLHN-AUEPDCJTSA-N 498.215 5.512 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1OCc1cccc2ccccc12 408880157 GDVWKEKKBWJCOW-LQKURTRISA-N 489.369 5.954 50 40 JKGB Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1 408884842 VNZKYAXNQXSIFG-FYJGNVAPSA-N 479.805 6.856 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 408893770 HMEIYGPDPQNESS-XDHOZWIPSA-N 496.972 5.279 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccc(C)cc3)o2)cc1 408914028 XCRWMEGQZKGABW-WJDWOHSUSA-N 453.361 6.356 50 40 JKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)c1 408988092 CMOVANZIXXXPCF-XNTDXEJSSA-N 476.539 6.111 50 40 JKGB CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC 408988572 RHHURNSHTRLBAF-RIYZIHGNSA-N 496.732 5.206 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccccc1Br 408995956 CDNRRNXGPHDLPG-WYMPLXKRSA-N 460.759 5.039 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1nc2ccccc2[nH]1 409048901 UYHVQFOVWSRZQA-CXUHLZMHSA-N 454.744 7.166 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc(-c2ccccc2)nc2ccccc12 409049032 XYMDJYUUHGWGSW-OGLMXYFKSA-N 462.465 5.834 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c(Cl)c1 409052637 LHNJXKSIQPHRCS-LUOAPIJWSA-N 465.739 6.437 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)c(Br)cc1OCc1ccccc1 409053131 LAUVOGACYSGLLX-LGJNPRDNSA-N 487.781 5.762 50 40 JKGB CCCCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc(Br)ccc3O)o2)cc1 409066860 XBJNNARGGKJJNC-QFEZKATASA-N 485.334 5.136 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(Br)ccc2Br)o1)C(=O)Nc1cccnc1 409121003 VCPLCZDSWLLSKK-XYOKQWHBSA-N 473.124 5.412 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)NCCCc1ccccc1 409229903 VXVFHJSALNVQOO-BKUYFWCQSA-N 483.370 6.367 50 40 JKGB COc1ccc(C(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c(O)c1 409391277 IVNBCQBTQLGVMY-RWPZCVJISA-N 460.917 5.550 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@H]1c1cccc(Cl)c1Cl 985563 PDQLFODVBLTQOL-AWEZNQCLSA-N 452.128 5.908 50 40 JKGB N#C/C(=C\Nc1ccccc1OC(F)(F)[C@H](F)Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 1801062 FPAMCLVBGZTZAX-SQSZOCELSA-N 479.867 6.021 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(=O)c1ccccc1 2801771 MLLAMPOWMXXCBF-DEDYPNTBSA-N 471.469 5.067 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(OCc2ccccc2)cc1 9264864 YHMDHPKGIJGVKM-KBVAKVRCSA-N 466.516 5.448 50 40 JKGB CCc1ccc(N2CSC3=C(C#N)[C@H](c4ccco4)N(c4ccc(CC)cc4)CN3C2)cc1 12250572 FVLZCIZSHVFBOU-AREMUKBSSA-N 456.615 6.129 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2C)cc1 12273803 GVCLQOFOPVPMIB-MZOFLMDJSA-N 488.012 6.022 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)c1nc(-c2ccccc2)no1 12563757 IZLQCYRMECZIIN-DEDYPNTBSA-N 458.315 6.142 50 40 JKGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 19949580 XFWBOOBVHWRUIP-JVWAILMASA-N 484.021 5.117 50 40 JKGB CCOc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)ccc1OC(=O)c1cccc2ccccc12 30843647 OIVWPYCSIYHUEY-MNBJERMJSA-N 496.563 5.604 50 40 JKGB C=CCOc1c(Br)cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)cc1OCC 33349294 FXGLDJIZTDGECC-DICXZTSXSA-N 493.357 6.076 50 40 JKGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1Br 59473060 BTZAXAZVDJXJNP-CVKSISIWSA-N 482.447 5.712 50 40 JKGB C=CCc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(OCC)c1OCc1ccc(F)cc1 108896847 PARWQLDAWDXNCE-RHANQZHGSA-N 491.519 5.133 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 408527116 FAIYKVGDQPHNCQ-YPXUMCKCSA-N 456.251 5.834 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1ccc(C(=O)O)cc1 408542262 KEROTNZAGRHDIT-ODLFYWEKSA-N 452.279 5.930 50 40 JKGB Cc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(=O)O)cc1 408580858 SCTOOPPHPDLMDT-MKMNVTDBSA-N 451.114 5.048 50 40 JKGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1 408610602 OMIYRTZEIGQHOJ-OGLMXYFKSA-N 479.964 5.187 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c2ccccc2n1Cc1ccccc1F 408677022 OOORGAFKTLHNTK-UXHLAJHPSA-N 454.549 5.501 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)OC)c(Cl)c3)c2C)cc1 408744844 NOAFYXQBGUXPQF-UYRXBGFRSA-N 477.948 5.479 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(Br)c1OC(C)=O 408756737 WZVZIARNLAZIFA-VXLYETTFSA-N 479.330 5.472 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408781243 BIFMUTXMHARWFL-YSMPRRRNSA-N 469.629 5.328 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Br 408795035 KVAUARVCFMJFCV-OVCLIPMQSA-N 478.184 5.773 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(F)cc2)c2ccccc12 408801042 SIQZGUPNGLTBGS-XSFVSMFZSA-N 457.936 6.645 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c([N+](=O)[O-])c1 408880463 KBKMNBDRDOFCCJ-QGOAFFKASA-N 461.861 5.322 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl 408884483 XGJPEFMWFIFBHX-XMHGGMMESA-N 487.342 6.911 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccccc1OC(=O)c1cccc2ccccc12 408889512 DKNILJZBENNORJ-LTGZKZEYSA-N 466.924 6.567 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408896380 NDRFPALTZIRUJL-MHWRWJLKSA-N 482.279 5.666 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C)c1ccccc1 408997228 CZHUSIMJACYASQ-SIMFPYGHSA-N 488.632 5.719 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCC(=O)Nc1ccc(C)cc1 409007275 NKIXGLWYFWPBDF-HAHDFKILSA-N 483.568 5.574 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1 409029493 BEJIMHVMPKBAMT-LQKURTRISA-N 491.016 6.760 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1ccccc1 409237153 JSCRGWKDXUKRPO-VBNMEBLOSA-N 485.798 7.010 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409270871 IKNSFQXILUYSHI-DEDYPNTBSA-N 489.959 5.610 50 40 JKGB O=C(OCc1ccccc1)[C@H]([C@@H](Cl)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 1634184 HFJBLPMMCYRPGA-VMPREFPWSA-N 470.012 6.781 50 40 JKGB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1 2280675 VQIVJWQQOBBSJD-HMMYKYKNSA-N 468.534 6.397 50 40 JKGB Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 2306792 IOJZJJYRMXXTLI-RDRPBHBLSA-N 457.961 5.134 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1cccc(O)c1 2348478 KNNGEJUXVRFGTJ-AFUMVMLFSA-N 469.998 5.052 50 40 JKGB COc1ccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(F)c(Cl)c1 2775687 KNUOFHQYPKIAQG-NLFFAJNJSA-N 488.950 5.660 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2cc(/N=N/c3ccccc3Cl)ccc2O)cc1OC 9289512 MYTVGZJFPCJVAE-VEVCQMGESA-N 452.898 5.171 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1 12311283 NEGIFDBQOKPUTA-LTGZKZEYSA-N 452.514 5.144 50 40 JKGB CCOC(=O)/C(C#N)=C/c1cc(Cl)c(OCCOc2ccc(C(C)(C)C)cc2)c(OCC)c1 13881209 WIAMXKCNOCUVPA-XMHGGMMESA-N 471.981 5.964 50 40 JKGB N#CC1=C(O)O[C@](O)(c2ccccc2)[C@H]([n+]2cccc3ccccc32)[C@@H]1c1ccc(Cl)c(Cl)c1 16034551 QAXHYFWAAMTCNE-RGSZASNESA-O 490.366 5.928 50 40 JKGB CCCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 19816198 CEPYUCICWJSNHB-SJQUQUAPSA-N 452.385 5.864 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccc(F)cc1 35129152 FOOKYWUCSSRYHS-JAIQZWGSSA-N 495.348 5.399 50 40 JKGB CC(C)CCC[C@@H](C)[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 39341080 DHZKAQAKUFROMZ-MUPFXJCVSA-N 465.560 8.050 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccs2)cc(Br)c1OCc1cccc2ccccc12 59197661 AGQHNSCZQWOLBZ-VULFUBBASA-N 495.398 6.015 50 40 JKGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c1C 59336327 NVAOSAAYRIMKPD-PDGQHHTCSA-N 482.367 6.042 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(OCc2ccc(C#N)cc2)cc1 59534585 OQRXYZNSFKMSIA-MFKUBSTISA-N 492.604 5.830 50 40 JKGB Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3c4ccccc4C[C@@H]3C)N=C3CCCC(O)=C32)o1 102867591 OANGPARWQJRFMP-OWJWWREXSA-N 459.571 5.568 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)c3ccccc32)c1 408545072 YYCDPXUMDSHKIE-HAHDFKILSA-N 463.537 5.639 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1OC 408580477 BXMYRWQRVRCWDR-YBFXNURJSA-N 468.322 6.249 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 408582369 NEXVKFZFIQTURO-XSFVSMFZSA-N 462.933 5.829 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1C 408610811 UNPJFZTVLDODRW-KVSWJAHQSA-N 488.346 5.417 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc(F)c1)C(=O)Nc1ccc(Br)cc1 408796676 ORXWNNXZZOPSQY-QGOAFFKASA-N 451.295 5.713 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408799335 YOTXZTPGJCZRCG-KEBDBYFISA-N 491.931 5.998 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1ccccc1F 408808148 DMAQDASWANSETI-PXNMLYILSA-N 486.286 6.165 50 40 JKGB CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1 408828471 FAWONDRWUAGRDP-HMMYKYKNSA-N 477.358 5.972 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccc(F)cc1 408848192 QLNTWTZLDUGLRF-YBFXNURJSA-N 470.313 6.769 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1Cc1ccccc1Br 408877102 SRLZQOOWCJGASF-FYJGNVAPSA-N 461.359 5.903 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(C)cc1 408897165 WOGPSKRIGVFSKK-UDWIEESQSA-N 481.379 6.825 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)cc2c1 409186960 KDZDTXNCRQJNSF-WYMPLXKRSA-N 498.289 5.526 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(C)cc4)c(OC)c3)cc2c1 409187279 OICZVIYDRDAHIL-NTFVMDSBSA-N 458.514 5.491 50 40 JKGB N#C/C(=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)NCCCc1ccccc1 409240686 HMYAHXSYSDUSMQ-PLRJNAJWSA-N 491.547 5.983 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1OC 409244523 DZZKRNXQRCYGMW-QPEQYQDCSA-N 469.257 5.421 50 40 JKGB CCOc1cc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(Cl)c(Cl)c1 409369196 HIWDTMWHROAORD-NRFANRHFSA-N 474.388 6.149 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)ccc1OCc1ccc(Cl)cc1Cl 409390546 FDMRVNOZQZCZKK-UVHMKAGCSA-N 489.355 5.449 50 40 JKGB CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@@H]3CC[C@@]12C 504206835 QEAJZMPKEHYDQO-XVPFSSIXSA-N 463.146 8.467 50 40 JKGB COc1cccc(-c2csc(/C(C#N)=C/Nc3cc4oc5ccccc5c4cc3OC)n2)c1 2284863 LXZHFNZSVCDMQN-SAPNQHFASA-N 453.523 6.703 50 40 JKGB O=C(COc1ccc2ccccc2c1Br)N/N=C/c1ccc(OCc2ccccc2)cc1 3169203 QBJADUVSMUISSS-LQKURTRISA-N 489.369 5.710 50 40 JKGB Cc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)c(C)n1-c1cccc(Cl)c1 3350270 JBOXKDGNROPSOL-CCVNUDIWSA-N 456.933 5.011 50 40 JKGB O=C(NNC(=O)c1ccc(CSc2nc3ccccc3o2)cc1)Nc1cccc(C(F)(F)F)c1 3515854 KBXRRTJNYVWATN-UHFFFAOYSA-N 486.475 5.605 50 40 JKGB COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)cc3C(=O)c3ccccc3)n2)c1 9070486 OKRVATYGDYCYFH-XDJHFCHBSA-N 471.969 6.680 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc(Br)c1O 9444986 ZJGXOJRLLFKCCH-RGVLZGJSSA-N 489.394 7.018 50 40 JKGB CCCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(Cl)cc2)/C(=C\c2ccc(Cl)cc2)C1 13512428 CEPYUCICWJSNHB-QRKROWPFSA-N 452.385 5.864 50 40 JKGB CCCCC[C@H](C)Cn1c(SCC(=O)/C(C#N)=C(\C)N)nnc1-c1ccc(C(C)(C)C)cc1 25424219 GREZDXUNHIEVHM-LOFJQREMSA-N 467.683 5.876 50 40 JKGB Cc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 28217041 NJGSOKZVAJFXSU-AFUMVMLFSA-N 490.854 6.143 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C)cc1 28218034 HANJUJKUIAMQTA-DHRITJCHSA-N 498.333 5.017 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OCc1ccccn1 33572568 HRQQXFWJEBYKQJ-VCHYOVAHSA-N 489.373 5.989 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1 34880149 TXTDFTRJWCMUKF-ZDLGFXPLSA-N 495.304 5.411 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(Br)s3)o2)cc1 35087841 KCNSGRAMASBLCD-MXAYSNPKSA-N 498.402 5.854 50 40 JKGB C[C@H](Cl)CN(Cc1cc(CN(C[C@@H](C)Cl)C[C@@H](C)Cl)c(O)cc1O)C[C@@H](C)Cl 104049516 WNASTKNKLFHUNC-FPCVCCKLSA-N 474.300 5.211 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1cccc(Br)c1 108153499 XDPZSFQGLGUOPI-WYMPLXKRSA-N 497.374 5.743 50 40 JKGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc21 208242862 QBVBKSAWHBNWNO-XTIFCCNPSA-N 472.814 6.370 50 40 JKGB CCCCCCCC[C@H](Cl)[C@H](Cl)CCCCCCCC(=O)[C@@H](C(=O)O)[C@H](O)C[N+](C)(C)C 263583689 TYGGPHDVLKGGFC-XWVZOOPGSA-O 497.568 6.020 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 408579405 GZLQBJOUYYMJAM-CXUHLZMHSA-N 493.615 8.052 50 40 JKGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1C 408591546 UTQYEPFEWWPWRZ-LGJNPRDNSA-N 458.345 5.342 50 40 JKGB CCc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)CC2=O)cc1 408602624 FALPKDYAIBASHB-IBGZPJMESA-N 498.410 5.631 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 408725011 FUAHKDMIVPOJMK-BKUYFWCQSA-N 491.385 6.145 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1cccc(C)c1 408743562 GSERPWHIRVIJFT-MTJSOVHGSA-N 491.385 6.199 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 408745121 JVWSIOALKHMMHG-SGWCAAJKSA-N 479.583 7.665 50 40 JKGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)o2)cc1Cl 408746584 FLRUYTIFIOEFIV-UVTDQMKNSA-N 485.721 5.695 50 40 JKGB CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OC(C)=O 408753235 FRQDMJUDPKUTEE-STBIYBPSSA-N 482.621 5.394 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c1 408790450 WJBRYKZQBUZQOA-DJKKODMXSA-N 469.343 6.874 50 40 JKGB O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1cc(Br)cc(Br)c1O 408852383 TVRPZWFHXVJKQK-LSHDLFTRSA-N 497.574 5.125 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Cc1ccccc1F 408878184 XQOOMBXMQWFXNM-YBFXNURJSA-N 469.343 6.668 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(Br)c2)cc1 408883903 VZHXTFJKTFYZFZ-XDHOZWIPSA-N 481.777 6.248 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1C 408898050 JVOHLOMWZJVHJQ-UDWIEESQSA-N 451.353 6.735 50 40 JKGB NC(=O)N/N=C/c1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 408924317 MSMXNJYGUZJARU-FDAWAROLSA-N 487.519 5.185 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1Cl 408978123 YEFFPUNLJNNWCH-KKMKTNMSSA-N 487.339 5.003 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C\c3c4ccccc4cc4ccccc34)c(C)c(C#N)c2=O)cc1C 409062247 QQZMKUGTXZNAAB-KYHGBAKBSA-N 485.547 5.100 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OCC)c1OCc1cccc(Cl)c1 409076130 YDRDLDHBVGQOPB-HZHRSRAPSA-N 472.972 6.592 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409078060 HNFHHUZDGIAMLB-LDADJPATSA-N 488.456 5.548 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc(Cl)cc1 409148959 UZQGASBHKNZTBL-QHCPKHFHSA-N 498.410 5.701 50 40 JKGB Cc1c(Br)cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1Br 409183932 VIPXWTRFENYZKF-FSJBWODESA-N 460.169 5.366 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1Oc1ccc([N+](=O)[O-])cn1 409210266 IXYVBJVTMQQABR-UNOMPAQXSA-N 458.474 5.343 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1 409256728 PGLUPQKPSLLHPT-PDGQHHTCSA-N 480.351 5.865 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2C)cc1 409267306 USKRXWYQDBIFDN-VYYCAZPPSA-N 494.389 5.156 50 40 JKGB CCc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 409361184 AEBSUPAHRTUFRD-DICXZTSXSA-N 485.809 5.937 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1 2077275 KFEMZUYDJPVHHL-UVHMKAGCSA-N 473.356 5.419 50 40 JKGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(Br)cc2)cc1 3083561 WEPDZTZNRJHVHJ-CVKSISIWSA-N 459.347 5.374 50 40 JKGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)c(OC)c1 3232321 VRKYDXRHDHDXBA-UYRXBGFRSA-N 476.916 5.260 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(C)cc1 8812847 PBAROVXWMVAKAV-LGJNPRDNSA-N 487.781 5.762 50 40 JKGB O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccc(N/N=C/c2ccc(C(F)(F)F)cc2)cc1 12563870 IJOSFSBUAALMAO-HNZHSOEWSA-N 478.396 5.934 50 40 JKGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(C2CCCCC2)cc1)c1ccc(Cl)cc1Cl 12960716 FYXYLIYWQXEVPX-JJIBRWJFSA-N 498.457 8.958 50 40 JKGB Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)CSc2ccccc2)c1C 20243686 IXIXCQDEIJVVCI-ZMOGYAJESA-N 456.409 5.407 50 40 JKGB CC(C)(C)C1CCC(=NNC(=O)c2ccc(C(=O)NN=C3CCC(C(C)(C)C)CC3)o2)CC1 20467857 SDORODYWXAPDKK-UHFFFAOYSA-N 456.631 5.924 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 20764532 DZCPJDZAFBJENA-VULFUBBASA-N 487.781 5.844 50 40 JKGB O=C(COc1cccc(Br)c1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1 32125506 FGDZAHAOJARZCE-JJFYIABZSA-N 465.756 5.376 50 40 JKGB CCOc1ccccc1/C=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl 32576843 OJCPQMFBZJRZJI-DICXZTSXSA-N 479.005 5.379 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)N=C2CCCC(O)=C2[C@@H]1c1ccco1 100703290 CCNVGAUUCVCERX-FQEVSTJZSA-N 473.476 5.940 50 40 JKGB CCOc1ccc(C2=C(C=NNC(=O)c3ccncc3)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 245266990 KZFPXKYRTNSREV-NDEPHWFRSA-N 493.538 5.971 50 40 JKGB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@]4(C)CC(=O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@]12C 299754818 VJESLMVYXPLTHU-ANKYONEUSA-N 479.587 8.440 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(OCC)c2)c(C#N)c1C 408545963 ASDFOEUXZWPCPP-VCHYOVAHSA-N 466.559 5.010 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(F)cc1 408746546 ZZENBZUXIXHBBE-ODLFYWEKSA-N 450.897 5.921 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1cccc(F)c1 408806818 BKPRAPHXMDCXGM-MFOYZWKCSA-N 499.311 5.861 50 40 JKGB O=C(N/N=C\c1cn(Cc2ccccc2)c2ccccc12)c1cc2cc(Br)ccc2o1 408850556 BXQBURYVVZHYCF-VYYCAZPPSA-N 472.342 5.962 50 40 JKGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)cc1Cl 408851868 GVFNRTIYGRGJBY-LCYFTJDESA-N 475.715 6.239 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccccc1Cl 408879425 DJUUDNVMGKRWNN-UDWIEESQSA-N 491.931 6.080 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1 408882773 SEGYEFICUMNUTP-XSFVSMFZSA-N 471.469 5.067 50 40 JKGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1C 408934331 BZMRQQCPMMINEG-KVSWJAHQSA-N 476.886 5.164 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1ccc(C)cc1 408966194 KJFJNAQARGAIIH-XODNFHPESA-N 496.336 5.120 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1C#N 408981703 CPFYREJZOBAXHG-JMIUGGIZSA-N 492.362 6.307 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1 408983911 OGCWWXVDWBAHSP-JAIQZWGSSA-N 476.916 5.480 50 40 JKGB O=C(N/N=C\c1ccc(I)cc1)c1cc(-c2ccccc2)nc2ccccc12 409040257 YBPRWBBSVZWZRT-MYYYXRDXSA-N 477.305 5.270 50 40 JKGB COC(=O)c1cccc(-c2ccc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)c1C 409041583 ARFARNACZULIPW-MNBJERMJSA-N 489.531 6.021 50 40 JKGB Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc(O)ccc43)cc2Br)cc1 409135249 UANKAZKLPQZNNB-HSZRJFAPSA-N 463.331 5.260 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OCc1cccc2ccccc12 409142741 DCQRITMGBUEGPA-LYAXJZIPSA-N 454.526 5.001 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)O)cc1 409217783 WNQVPTYGGIEPLA-MZJWZYIUSA-N 498.988 5.258 50 40 JKGB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Cl)cc1 409222075 AIOWUMNEBKQLAR-YBFXNURJSA-N 494.378 6.173 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N1C(=C(C#N)[C@@H]2c2cccnc2)N=C(N)c2c1sc1c2CCCCC1 716671 IGOQIKUZPGVCQH-NRFANRHFSA-N 469.614 5.113 50 40 JKGB N#CC1=C(N)N(c2ccc(C(F)(F)F)cc2)[C@@H]2CCCCCC=C2C1(C(F)(F)F)C(F)(F)F 2192720 IIYWTPZKBXVOHR-MRXNPFEDSA-N 483.378 6.589 50 40 JKGB COc1ccc([C@H](Br)[C@H](Br)C(=O)c2ccccc2)cc1Br 2555883 JPDFDFODMBDWMZ-GJZGRUSLSA-N 476.990 5.540 50 40 JKGB Cc1ccc([C@@H](C)N(NC(=O)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)C(=O)c2ccccc2)cc1 3616699 GCKMWKLKMXNKCJ-RUZDIDTESA-N 492.619 5.783 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccc(F)cc1 4196158 HJJIAFNLTFEQNB-BOPFTXTBSA-N 469.285 5.852 50 40 JKGB C/C(=N\NC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl)c1ccc(NC(=O)c2ccoc2C)cc1 8456098 HBKUPGGVZWTOLU-RPPGKUMJSA-N 496.932 5.771 50 40 JKGB C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 13895723 CCKNPFBGAONVNJ-NTEUORMPSA-N 494.716 5.064 50 40 JKGB Cc1cccc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)c1 19926515 SZXYFGGEFMXANB-VULFUBBASA-N 490.412 5.032 50 40 JKGB CCOc1ccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1 30742934 TVOPEGLXWYPBQP-JJFYIABZSA-N 479.052 5.125 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(CSc3nc4cc([N+](=O)[O-])ccc4o3)cs2)ccc1O 41048508 RNZRBGWTAWXOBO-AWNIVKPZSA-N 466.500 5.263 50 40 JKGB C/C(=N\NC(=O)CSCc1ccccc1C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 58916723 RLNOXWXGOZHZQQ-XJGNFJNRSA-N 499.655 6.734 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Cl)c(Cl)c1 59201879 ZFVXYPQJAMXIEJ-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1ccc(Cl)cc1 59297460 GZTJGLAOHJBGOE-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3)N=C3CCCC(O)=C32)ccc1O 104097338 XFHLMJFJJHOFOK-XMMPIXPASA-N 475.570 5.351 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(O)CC(C)(C)CC3=N2)c1C 104143923 BDZXWQSSRWLTST-HSZRJFAPSA-N 477.655 6.642 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 105066044 FXPAMJHRYUDLQI-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)Sc1nc2ccccc2s1 108068178 ZBEOGUOIEGBCDW-GXDHUFHOSA-N 484.356 6.884 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Br)c1OCc1ccccc1C#N 108258896 GPXALTABCUFLAP-JMIUGGIZSA-N 499.368 6.157 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCc1cccc(F)c1 209488193 HDHIWOVUJZTEPO-SRZZPIQSSA-N 466.350 6.939 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 209656461 FPGWRJOPIJVLHY-ZROIWOOFSA-N 478.917 5.866 50 40 JKGB CCCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC 408535579 ZTILTQIVLCJMRQ-VEILYXNESA-N 462.546 5.226 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 408570145 RYWADTTVNDOGBW-ZMOGYAJESA-N 458.992 5.608 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1 408743069 DJRXQMBDHOBORK-BWAHOGKJSA-N 492.575 6.762 50 40 JKGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)c1 408748097 YIIQDTXNHXXFDS-NDENLUEZSA-N 492.373 5.497 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)ccc1OCc1cccc2ccccc12 408760917 AXUIAPLFWCFRDJ-JLPGSUDCSA-N 476.532 6.176 50 40 JKGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccccc3)ccc3ccccc23)cc1 408782769 JFMUQYWGCADSNN-QQTULTPQSA-N 475.592 6.811 50 40 JKGB Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Cl)c2C)ccc1I 408788249 DARJFYJOONYNSJ-WYMPLXKRSA-N 491.760 5.424 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)o1 408794226 IJYPCXSQRLUGEN-HMMYKYKNSA-N 495.491 5.988 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1C 408801258 UKOGZAQFELIZCG-LFVJCYFKSA-N 480.995 7.543 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12 408867341 KLDKXAAVRYXPJX-HAVVHWLPSA-N 466.968 7.180 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c1OS(=O)(=O)c1ccccc1 408890351 RSTDWJWEQQZCQB-HEHNFIMWSA-N 484.533 5.162 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1c(C)cc(C)cc1C 408983448 BSTMZHPXARGXEE-ZVHZXABRSA-N 454.570 6.362 50 40 JKGB N#C/C(=C\c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1 408989524 HZNBJHFTCZKWTC-QGOAFFKASA-N 486.940 6.493 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1nc2ccccc2[nH]1 409049427 WUNBVVQRWJUETM-CXUHLZMHSA-N 465.296 6.421 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1)c1ccco1 409174764 OPSRHQVPTXWTCS-WKULSOCRSA-N 491.906 5.667 50 40 JKGB N#C[C@@H](C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccccc1 409201772 XVOCWPHFGJEQAS-SQWMEXMHSA-N 461.352 5.754 50 40 JKGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1 409222606 CHMJCKMDGROBOM-MNBJERMJSA-N 464.544 6.000 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(Br)c(Cl)c1 409234855 NJCRZQIFDBGBQV-ROTLSHHCSA-N 462.750 5.342 50 40 JKGB COc1ccc2c(Cl)c(C(=O)NNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)sc2c1 674906 NMGLLKBIIMLADC-SECBINFHSA-N 473.765 5.099 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc(C(C)=O)c1C 2265267 JESJULKCIUZMHW-GDNBJRDFSA-N 471.991 6.189 50 40 JKGB COc1ccc(/C=N/NC(=O)COc2c(C(C)C)cc(Br)c(C)c2Br)cc1 3050445 KURLFYURJUTVNM-AUEPDCJTSA-N 498.215 5.181 50 40 JKGB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2Cl)C(C#N)=C(SCc2ccccc2)N1 8934503 BCBCAMKTDXQCDA-AREMUKBSSA-N 486.040 6.917 50 40 JKGB CCc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(OCc5ccccc5)c4)CC(=O)N3C2)cc1 12251021 JIAMLESGXHGRPP-SANMLTNESA-N 481.621 6.047 50 40 JKGB Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 12364128 PRKVMFFYKGTWFJ-OCSSWDANSA-N 492.406 5.787 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1ccc(Cl)cc1 13552913 ZQBUSEGSGAKSRL-UUYOSTAYSA-N 483.471 5.770 50 40 JKGB COc1ccc(C(=O)N/N=C/c2c(OC(=O)c3cccc4ccccc34)ccc3ccccc23)cc1 16157777 LNFDHMAWAJXXRY-ZCTHSVRISA-N 474.516 5.985 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1 16713524 KZWFZBFQULVELV-TURZUDJPSA-N 497.620 6.365 50 40 JKGB COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@@H]1c1ccco1 19947574 WTJBBABIOBVHAL-AREMUKBSSA-N 499.592 5.547 50 40 JKGB C[C@H]1CCc2c(sc3nc(/C(C#N)=C\c4ccc(N5CCCC5)c([N+](=O)[O-])c4)nc(O)c23)C1 33562955 IVRZDMCANFBSSD-HNDQUVLASA-N 461.547 5.094 50 40 JKGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1nc(O)c2c3c(sc2n1)CCCC3 35362298 UCLJQBAQZUOBBX-SSZFMOIBSA-N 481.606 6.254 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccco1 58980187 IZOGECNHYUVJLT-LQKURTRISA-N 473.916 5.528 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(C)cc1 59292012 TXFPUSCSLMFTIP-HYARGMPZSA-N 475.386 6.445 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1cccc(C)c1 59335709 ILHUVRRKYMNEHA-XYGWBWBKSA-N 452.554 6.165 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 59485158 QMFFXMHPYXRCLF-ODLFYWEKSA-N 454.751 6.754 50 40 JKGB CC(C)Oc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12 100061068 RQYTYDOSGVUKHB-UHFFFAOYSA-N 496.590 8.205 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c1 111458825 IVACRNXNTCECAQ-QNGOZBTKSA-N 480.524 5.851 50 40 JKGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C5(CBr)OCCO5)[C@@]4(C)CC[C@@H]32)C1 118914644 MSDUUFXAHQPGOH-LQDRYOBXSA-N 481.471 5.635 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@H]1[C@@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]12 170621502 UYDDPTCNFUMGFE-BHSUFKTOSA-N 485.562 6.572 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 408579849 KOMWNSHSHJSSBO-LDADJPATSA-N 453.325 6.084 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1 408582372 NGGVFCJEFJUVNU-UDWIEESQSA-N 464.315 5.799 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccc(N2CCCC2)cc1 408678366 XQEJCVSTCSKBGQ-OKCVXOCRSA-N 491.422 6.361 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(-c3ccccc3)cc2)c1C 408735395 RGLRKPQNPYUMPB-KOEQRZSOSA-N 465.984 7.269 50 40 JKGB Cc1c(Cl)cccc1-n1c(C)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 408749663 IJEDGQTZHGYXBU-YKQZZPSBSA-N 471.988 5.442 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 408792828 CMCDBRLSYFQTKD-SFQUDFHCSA-N 483.421 5.408 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 408795298 KUCCPASBMSFAES-CPNJWEJPSA-N 479.458 5.577 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)cc2Br)cc1 408816716 KBGLVAZLEPCJMW-ZDLGFXPLSA-N 499.767 6.675 50 40 JKGB Cc1c(Br)c(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1 408850478 NZJBAJDYUQTPBO-BHGWPJFGSA-N 465.178 5.927 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1cc(-c2ccccc2)nc2ccccc12 409037876 UMWKMRYPRNGTOI-BIZUNTBRSA-N 491.978 6.898 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cccc(C)c1 409043151 QAZDYWREIZGKEJ-XSFVSMFZSA-N 452.514 5.352 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccccc1 409092948 YAGPJMNOGGIDKY-XNTDXEJSSA-N 487.821 6.605 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1ccccc1 409250840 YIWTVBBAFRTLCS-IWEBCOIVSA-N 469.343 6.496 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2)cc1Cl 409263719 BTAZRZRCCGBKRK-WOJGMQOQSA-N 463.896 5.351 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409264541 KURZCWYOJFRYJT-PXLXIMEGSA-N 469.541 5.265 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 409265577 MWKAJBYTYVCQGT-PXLXIMEGSA-N 469.541 5.265 50 40 JKGB Cc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc4c(c3)OCO4)C3=C2CC(C)(C)CC3=O)cc1Cl 707321 YBXVHWQHLNWKQH-HSZRJFAPSA-N 461.949 5.318 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 953464 XTPDYMFFVAVHGQ-WOJGMQOQSA-N 481.335 5.445 50 40 JKGB CC1=C(C/C=C(C)/C=N/NC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)C(C)(C)CCC1 2204305 VBMULNJOTJMNKL-NOZHJUCJSA-N 474.048 8.067 50 40 JKGB COC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 3248505 RUERISAKFFDVTH-NRFANRHFSA-N 488.396 5.234 50 40 JKGB N#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1 3264188 IXZCLYJWALRSNO-ONNFQVAWSA-N 490.073 5.482 50 40 JKGB N#CC1=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 3664815 GXASLQKNEBZNQJ-HSZRJFAPSA-N 475.017 5.847 50 40 JKGB CCCCCOc1ccc([C@H]2C(C#N)=C(C)N(c3ccc(C)cc3)c3oc(C)nc32)cc1OC 8742312 MNRVQPLLJRDQJX-SANMLTNESA-N 457.574 6.950 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 8812119 JAPIHHVTAWWJSM-VULFUBBASA-N 471.326 5.330 50 40 JKGB Cc1ccc(COc2ccc(Cl)cc2/C=N/NC(=O)Cc2ccc(Br)cc2)cc1 9204267 UCTXFORXEFQDBM-VULFUBBASA-N 471.782 5.683 50 40 JKGB Cc1sc2nc(/C(C#N)=C/c3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C 9539953 BEUAXTSCPCYFIH-OQLLNIDSSA-N 462.462 5.505 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@H](C)NC(=O)c2ccccc2)ccc1OCc1cccc2ccccc12 9892586 NTULHURZYWBTKK-ABMUTNKWSA-N 495.579 5.086 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cc(Cl)cc(Cl)c1)C(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21 12402272 XAOQHKGDPWPARS-RUZDIDTESA-N 479.367 5.041 50 40 JKGB N#C/C(=C\c1c(OC(=O)c2cccc([N+](=O)[O-])c2)ccc2ccccc12)c1nnc2n1CCCCC2 12589454 HFGYJWZLFRHTQM-CAPFRKAQSA-N 479.496 5.349 50 40 JKGB C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)c1cc2ccccc2cc1O 12628928 IHHJWERUGUZNDE-NDZAJKAJSA-N 467.525 5.259 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c1OCc1ccc([N+](=O)[O-])cc1 15018559 PZMGCAXEIMFIAP-MUFRIFMGSA-N 495.491 5.846 50 40 JKGB C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)COc1cccc2ccccc12 16136940 NHBNLUGQDVYAHA-AJBULDERSA-N 466.541 5.483 50 40 JKGB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1cccc(Cl)c1Cl 18194293 NPXJDTKKPHTPDO-KVUWKNAUSA-N 482.411 5.416 50 40 JKGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3ccccc3)c2C)c1 20243643 AYIHYCZZWHLKGW-LGJNPRDNSA-N 484.463 5.857 50 40 JKGB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1 26920705 HHBXBPXWPLVSCP-MHWRWJLKSA-N 465.462 5.185 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 33595614 NLAYFKUNIFUDNG-NHDPSOOVSA-N 495.362 7.282 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1Cl 33679648 UBJJFLGMDDXRIK-NVMNQCDNSA-N 455.297 6.553 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(C(=O)O)c1 34689748 JETIYEPHMKSADK-JMIUGGIZSA-N 478.888 5.988 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccc(Cl)cc1 34869183 ALDMGDPZHCJEIR-WQRHYEAKSA-N 486.768 7.283 50 40 JKGB O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(F)cc1)c1cc2ccccc2o1 83315529 AJPQCEYXFQJSDR-ZMFRSBBQSA-N 467.294 5.677 50 40 JKGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)cc1 98010049 FGXVNWBTDRRLFJ-PDGQHHTCSA-N 463.877 5.381 50 40 JKGB C/C(=N\NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1ccc2c(c1)Nc1ccccc1S2 98053707 VCYLWIPFBIKFJN-MUFRIFMGSA-N 495.633 6.758 50 40 JKGB Cc1ccc(C(C)C)c(OC[C@@H](CCl)S[C@@H](CCl)COc2cc(C)ccc2C(C)C)c1 104816113 MWLDFEHNIRUNTF-SZPZYZBQSA-N 483.545 7.956 50 40 JKGB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@@H](Cl)[C@@]2(Cl)C1 118914074 JFNJWGVLTHTDCN-GBCGHRPESA-N 499.607 8.618 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1ccc(C(=O)O)cc1 408543425 RAZLFNKGTUZCMV-IDUWFGFVSA-N 493.173 7.642 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1 408543445 REAGSWFLXWITJK-WQRHYEAKSA-N 467.308 5.816 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1 408544379 VUIQOPFYNRYUMU-JAIQZWGSSA-N 491.341 5.580 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1cccc(Cl)c1 408580602 PWOLYQUZXYLXPC-VCHYOVAHSA-N 458.772 7.689 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c1C 408592088 XPCUXTKLCDHJAC-JVWAILMASA-N 462.550 5.001 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccccc1Cl 408678026 XAFBSTMPIQQQGY-OGLMXYFKSA-N 463.965 5.292 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccccc1 408724525 FGJUWTLQLBZRCO-QPCJEUAISA-N 485.422 5.703 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(I)c2)c1C 408743615 HDWYHKWKLUPAAA-UNOMPAQXSA-N 481.337 5.553 50 40 JKGB N#C/C(=C\c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1)C(N)=O 408760572 AZGOWGNMMOTCFO-LZYBPNLTSA-N 486.163 5.336 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(I)cc3)o2)c1 408788032 ABBFEEVHTOOSHF-SFQUDFHCSA-N 468.294 5.714 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1C 408796572 YOEAXUWOCDJRNK-RGVLZGJSSA-N 461.905 5.990 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 408804991 IDLUFOLGTHWPAQ-RHLNUJDMSA-N 481.379 6.365 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1cc(OC)ccc1OC 408818616 XRAASETZOIIZQU-CPNJWEJPSA-N 476.504 5.366 50 40 JKGB Cc1ccc2c(Cl)c(C(=O)NNC(=O)c3ccc(NC(=O)/C=C/c4ccccc4)cc3)sc2c1 408843519 LWGBIABSZSEZDO-RIYZIHGNSA-N 489.984 5.590 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1 408877000 SKCKVKHNCQUSTN-DEDYPNTBSA-N 466.459 6.229 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(=O)c2cccc3ccccc23)cc1 408879968 GIEHFBNLBRGAHI-PTGBLXJZSA-N 490.515 5.781 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1cccc2ccccc12)c1ccccc1 408888970 DCENXLCQRQRNOP-JVWAILMASA-N 473.326 5.585 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Cl)c1OCc1ccc(F)cc1 408923744 LLNIRXHQTFCYMA-RPPGKUMJSA-N 491.744 5.593 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 408925230 QQSBMZAHVCCQJI-HMMYKYKNSA-N 474.900 5.282 50 40 JKGB CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1C 408960846 ORSNARJPLLZQRB-AFUMVMLFSA-N 450.564 5.116 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1cccc([N+](=O)[O-])c1 408982352 GPFABLJQTQGRQQ-JAIQZWGSSA-N 491.931 6.080 50 40 JKGB O=C(N/N=C\c1cn(Cc2ccccc2Cl)c2ccccc12)c1cc2cc(Cl)ccc2o1 409022319 JRUYLNSSFWEDOU-QDTIIGTASA-N 462.336 6.507 50 40 JKGB C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C 409050360 UZBQGYIGQKOWJK-CXUHLZMHSA-N 490.195 5.939 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409074018 RICQLAIIFOKDIY-XMHGGMMESA-N 496.972 5.361 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409075563 RUGNLBGKIDZXJW-VXLYETTFSA-N 464.861 5.598 50 40 JKGB COc1cccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)c1OCc1ccc(C(=O)O)cc1 409185240 USLNZSNCPYQRIL-BKUYFWCQSA-N 453.498 5.530 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 409212440 QCBHUYJDRQIFMY-LGJNPRDNSA-N 478.961 5.494 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409264993 NDUUAZPNPAARDB-FYJGNVAPSA-N 457.486 5.302 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(O)c1 409393211 VQENFPQYYRXCAT-KKMKTNMSSA-N 468.340 5.475 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(Sc4ccc(Cl)cc4)o3)[nH]c2c1 409393431 XFISKYIIFXYMEK-WQLSENKSSA-N 486.778 6.796 50 40 JKGB Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3c(Cl)cccc3Cl)s2)cc1 2340902 QIMARZGKTVMXDT-LSFURLLWSA-N 483.471 5.688 50 40 JKGB O=C(Oc1ccc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1)c1ccccc1 3659599 DTCOOFSXJIRQMM-ZBCBXWAGSA-N 460.533 5.362 50 40 JKGB CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3cccs3)C3=C2CCCC3=O)sc2c1CCCCC2 3666368 NVCKZLGIMMONLV-OAQYLSRUSA-N 493.654 5.560 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCc1ccccc1C#N 9202341 DQMMNIPWKZCHJR-RWPZCVJISA-N 492.373 5.371 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccc(F)cc1 12411602 PAOJEBHNYPGPFH-KGENOOAVSA-N 479.515 5.507 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(N2CCOCC2)cc1 13402025 ABMCYWFXRIPBNG-PGMHBOJBSA-N 460.965 5.130 50 40 JKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1C 33390316 NZLUQJVKAZCFFF-BRJLIKDPSA-N 466.950 5.943 50 40 JKGB Cc1cccc(-n2cccc2/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1 33660656 AONGOYSWENYFFU-DXJNIWACSA-N 492.579 6.129 50 40 JKGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 33850945 AXSCHYKYZGIEHC-MXAYSNPKSA-N 458.301 5.173 50 40 JKGB CC(C)(C)c1ccc(OCCN2C(=O)/C(=N\NC(=O)c3ccccc3Cl)c3ccccc32)cc1 46084864 FAMHGXBDRNPZIC-OLFWJLLRSA-N 475.976 5.197 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1 58913243 BUXOFLLJIXXWJU-OPEKNORGSA-N 463.752 5.143 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 58914611 QPYXPYPHASVXER-VROXFSQNSA-N 450.709 5.304 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59301952 YEVBUMMZYISJPX-KIBLKLHPSA-N 464.736 5.516 50 40 JKGB CCCCCCCCc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 100266928 XIZGKIHZYWWFDL-UHFFFAOYSA-N 465.641 8.084 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccccc1Cl 408544813 XRLUWEHXAGPSFH-NVMNQCDNSA-N 497.334 5.825 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)N[C@H]1CCCC[C@H]1C 408607558 TUTPBTGHVBCZPZ-KIQHUTKXSA-N 472.589 5.326 50 40 JKGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408609801 LNSWBFOUHUCYQS-WKULSOCRSA-N 498.410 5.786 50 40 JKGB O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)c1ccc(N2CCCC2)cc1 408678432 ZAVFDHLGDIRNRG-DHRITJCHSA-N 473.316 5.526 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1 408735118 OCRXBWQGZSDPIA-LDADJPATSA-N 467.750 6.227 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(F)cc1 408789273 IGHHCHWHZKTXFN-VCHYOVAHSA-N 495.894 5.911 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 408792924 MMHSJKNSOXCQQV-XDHOZWIPSA-N 467.352 6.517 50 40 JKGB Cc1ccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c3ccccc32)cc1 408793041 CSHFYRVIGOUGAV-XDHOZWIPSA-N 460.364 6.851 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)ccc1OCc1ccc(Cl)c(Cl)c1 408809851 SGJISHRDYSHDGV-WOJGMQOQSA-N 463.361 5.031 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1Cl 408815857 SQHLIZYNLHJCOA-BHGWPJFGSA-N 491.287 5.179 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(C)c1OCc1ccc(F)cc1 408848824 WEBNOUNCJVOSPT-YBFXNURJSA-N 469.343 6.874 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OCC 408851760 FWMVRIWTLBQPIK-CFRMEGHHSA-N 457.324 5.095 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Br)cc3)c(C)c2)cc1 408852696 MPJVPCPETKZYSY-HYARGMPZSA-N 475.386 6.499 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(O)cc3)c2C)cc1 408852779 IEFGHEKRPFXHQR-RGXNXFOYSA-N 488.591 6.330 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)ccc1OCc1cccc(Cl)c1 408861897 BQNRLRDXNQIYJA-LQKURTRISA-N 482.964 5.028 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2cc(C)cc(C)c2)cc1 408882086 PHGBJJRSIOYGTI-OEAKJJBVSA-N 459.387 6.511 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1 408897537 XPDOPGXJDIPVNL-DEDYPNTBSA-N 480.973 5.579 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 408927250 ZXRNMHRRHRYUDB-WOJGMQOQSA-N 479.334 5.619 50 40 JKGB Cc1c(/C=N\NC(=O)Cc2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 409235213 YXUKRLZXDGFYFZ-NUJZUDFISA-N 468.359 6.137 50 40 JKGB CCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4c(F)cccc4Cl)cc3)CC2=O)cc1 409262662 JKQKZKBPHPELSF-ZSNODQNZSA-N 493.966 5.124 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Cl)c(C)c1 409266470 ZBEVFDYSWPHUQC-UDWIEESQSA-N 461.905 5.947 50 40 JKGB COc1ccc(Oc2ccc(-n3c(C)cc(/C=C(\C#N)C(=O)NCc4ccco4)c3C)cc2)cc1 2314199 SBAFRHVSWVXUSP-CJLVFECKSA-N 467.525 5.711 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(CSc3ccccc3)c2[C@H]1c1ccc(F)c(Oc2ccccc2)c1 9330052 MIBXZLVYSVYHTH-QHCPKHFHSA-N 470.529 5.852 50 40 JKGB N#C/C(=C/c1ccc(Cl)cc1Cl)c1nc(CSc2ncc(C(F)(F)F)cc2Cl)n[nH]1 12956305 SOVODEDUQXQASS-KMKOMSMNSA-N 490.725 6.535 50 40 JKGB C/C(=N\NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc(C2CCCCC2)cc1 15938802 NPLQXKATAASFMQ-VULFUBBASA-N 453.797 6.614 50 40 JKGB N#C/C(=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 16526092 WDQRJAGWNRJSTK-YVLHZVERSA-N 451.463 6.042 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 20197337 BGNCPHZUUPGDDU-RWPZCVJISA-N 487.383 6.134 50 40 JKGB CCCCC[C@@H](C)Cn1c(SCC(=O)/C(C#N)=C(\C)N)nnc1-c1ccc(C(C)(C)C)cc1 25424214 GREZDXUNHIEVHM-QTTZHIOCSA-N 467.683 5.876 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1 28216954 HYPFGMKFMLWUDP-OCSSWDANSA-N 488.056 6.945 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)c(C)c1 59201953 ZEHHMWKPRLCFPO-KGENOOAVSA-N 461.359 6.191 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1ccc(Br)cc1 59445305 GNQQZOHZLKUNTN-LQKURTRISA-N 489.369 5.954 50 40 JKGB Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3c4ccccc4cc4ccccc34)c1)C2 59501522 SYTICARQDPXAMA-DPNNOFEESA-N 469.588 6.894 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 59536462 NDIUVRXAVCXPCX-PXLXIMEGSA-N 468.940 6.626 50 40 JKGB Cc1ccccc1P(c1ccccc1C)[C@H](C)[C@H]1CCC[C@H]1P(C(C)(C)C)C(C)(C)C 60291262 KJLGULUIPNNIDJ-FKCDAAJZSA-N 454.619 8.372 50 40 JKGB O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl 95682166 LPBOLJCVHPGHSK-UHFFFAOYSA-N 498.972 6.031 50 40 JKGB O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccccc1F)N2 101178097 OCDBIIVGALZXKN-RSEYPYQYSA-N 498.963 6.471 50 40 JKGB COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C2=C(O)CCCC2=N1 102602188 IGCJIBMMTPHTOY-NRFANRHFSA-N 469.950 5.583 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1P(=O)(c1ccccc1)c1ccccc1 103438716 QFKSDBYGNQVKML-FRGOEROOSA-N 496.527 6.182 50 40 JKGB CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](Br)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118918196 KBSDBYDTKXUZDW-HGRPRQPMSA-N 493.614 8.686 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccc(Cl)cc1 408580673 QOPVURQJPCVLFW-WOJGMQOQSA-N 459.170 7.399 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1OC 408581663 YNLRCAKENVJHBZ-SRZZPIQSSA-N 494.385 6.427 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1Cl 408609895 SKSDQLLUKCQWQA-KKMKTNMSSA-N 490.774 5.623 50 40 JKGB COc1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2cccc(C(F)(F)F)c2)C3)cc1OC 408729254 YRPQPZGOQPUQHF-DBFSUHOCSA-N 469.463 5.007 50 40 JKGB O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1ccc(Cl)cc1 408740734 LYZQAIHFISRPNZ-RUMWWMSVSA-N 475.979 7.229 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 408794485 SJMYKDDNLBNZFZ-FOWTUZBSSA-N 465.303 5.350 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408795727 MYLJLEHCJZFYGS-LZYBPNLTSA-N 492.189 7.425 50 40 JKGB CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 408798364 HXKKCMUSUWCLGA-LICLKQGHSA-N 490.341 5.251 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OCc2ccc(Cl)c(Cl)c2)c1 408809925 LHZWLXRMFKDENZ-XDHOZWIPSA-N 467.352 6.435 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1 408818897 PKEKCTHEMZEEQJ-NTFVMDSBSA-N 489.369 6.267 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(Br)c2)cc1Cl 408865277 CPZRNWNEKKJCMJ-VXLYETTFSA-N 483.768 6.687 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1c(Cl)cccc1Cl 408884934 ZEGQJMVFAMJXOE-MHWRWJLKSA-N 492.189 7.425 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408893763 FJBFBHMXTCUFKW-KPKJPENVSA-N 473.228 5.615 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1cccc2ccccc12 408921589 AUVNMIVSJFGYTA-JVWAILMASA-N 459.343 5.945 50 40 JKGB Cc1c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc2n1Cc1ccc(Cl)cc1 408967886 XXOWWRBTNSFDRL-CCVNUDIWSA-N 486.915 6.070 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12)c1nc2ccccc2[nH]1 409049451 WXQGMIXXXPGTTA-UDWIEESQSA-N 470.359 7.666 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1)C(=O)Nc1ccc(F)cc1 409049597 XAODOKZANBKGKG-CXUHLZMHSA-N 459.279 6.396 50 40 JKGB C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 409056238 LGOQQCZTGGQJQA-OQLLNIDSSA-N 474.152 5.078 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)NCCCc1ccccc1 409221544 RTSSZVQKBBVTIJ-MTJSOVHGSA-N 483.370 6.367 50 40 JKGB N#CC1=C(N)Oc2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1COc1ccc(Cl)cc1 1073623 UOHAPBVTYTZLKN-JOCHJYFZSA-N 456.885 5.244 50 40 JKGB C[C@@H](Br)C(=O)[C@](CCN(C)C)(c1ccccc1)c1ccc(Br)s1 1594089 NEOBPZJCEAMOKD-FZKQIMNGSA-N 459.247 5.101 50 40 JKGB CCc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2240629 BUYWHYXFIOITHF-BSSRNLCFSA-N 453.567 5.314 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc(Cl)c1O 3085541 PGDZLMCCODXDAO-MZJWZYIUSA-N 461.002 5.687 50 40 JKGB N#CC(=C1SC(c2ccccc2)=C(c2ccccc2)S1)c1nc(-c2ccccc2)cs1 3176306 FPQBBVBNQYAFIV-UHFFFAOYSA-N 452.629 8.008 50 40 JKGB N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@H]1c1ccc(OCc2ccccc2)cc1 9693583 KSKNZSGGQPYHKP-DEOSSOPVSA-N 453.567 5.485 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)[C@@]21C(=O)Nc2ccccc21 12402277 SGPIHZJRLSNCFE-GDLZYMKVSA-N 478.527 5.373 50 40 JKGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc1 18193401 IEXCWYJOTIGDKH-UZIPCJMNSA-N 451.570 5.155 50 40 JKGB Cc1cc(C)c(OCC(=O)N/N=C\c2cn(Cc3ccccc3)c3ccccc23)c(Br)c1 20103187 QZXZZPTZZNXKSY-MUXKCCDJSA-N 490.401 5.598 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccc(C)cc1 59117406 FCQXZZNMBATQAZ-XDHOZWIPSA-N 495.362 6.465 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 59201395 KMTGOCCGMALHRI-UYRXBGFRSA-N 460.364 6.851 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1C 59291967 KRGBTQMYMPURRY-UDWIEESQSA-N 451.353 6.735 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCC(=O)c3ccc(Cl)cc3)N=C3CC(C)(C)CC(O)=C32)cc1 102576157 RBEMDYOTPQPRGN-XMMPIXPASA-N 493.028 6.870 50 40 JKGB CCCCCCCC[Sn]1(CCCCCCCC)OO[C@H](c2ccccc2)O1 195999546 XDUUMYONFIJSTH-IQVWVMGLSA-M 483.281 7.827 50 40 JKGB CCN1c2cc(C)c(/C=N/NC(=O)c3cc(Br)ccc3OC)cc2[C@H](C)CC1(C)C 208319492 AMLSYPOSWXDGJZ-JOBSNELWSA-N 472.427 5.642 50 40 JKGB N#CCC(=O)NN=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 252614737 JMPLSGBBZICPSG-UHFFFAOYSA-N 483.369 5.938 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccc(Cl)cc1Cl 408548700 LLBFTEMUAACZSH-CFRMEGHHSA-N 474.387 8.188 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccc(C)cc1 408781950 DTMGVJQVUKMVOX-KQWNVCNZSA-N 455.558 5.584 50 40 JKGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)c3c(C)nc4ccc(Br)cn34)c2C)c1 408786907 XGEPUZSCMNMPDV-RPPGKUMJSA-N 478.394 5.194 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(Cl)c(Cl)c2)cc1 408803872 BCMQDUMSZKDQIF-CPNJWEJPSA-N 497.378 6.525 50 40 JKGB N#C/C(=C\c1c(OCc2cccc(Cl)c2)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1 408804432 FYAJZLBRSQDMNV-XSFVSMFZSA-N 473.359 7.271 50 40 JKGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1 408824266 HRRBQLMVVRETAN-XSFVSMFZSA-N 479.363 6.683 50 40 JKGB O=C(N/N=C\c1cc(Br)ccc1OCc1cccc2ccccc12)c1cc2ccccc2o1 408848651 SBZSFBIZPJYMGH-MWLSYYOVSA-N 499.364 6.691 50 40 JKGB N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1 408895420 MTBSCLFJZYKNBJ-DHRITJCHSA-N 489.538 5.111 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(OCc2cccc(F)c2)c1 408900251 ULZYQBHTSJHUNR-YBFXNURJSA-N 450.897 5.921 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(Sc2ccc(Cl)cc2)s1 409014299 ILIVRYSICNXIQB-RMORIDSASA-N 471.818 6.389 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1cccc2ccccc12 409130918 XGBWZHOASRPPNT-MUUNZHRXSA-N 464.521 5.741 50 40 JKGB Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Cl)c1C 409259987 ISZXLJHNQFCALY-VXLYETTFSA-N 496.350 6.600 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)ccc1OCc1cccc2ccccc12 409365726 RQLDESODGNFWMN-DXJNIWACSA-N 466.581 6.127 50 40 JKGB Cc1ccccc1[C@H](c1ccccc1P(c1ccccc1)c1ccccc1)N(C)[S@](=O)C(C)(C)C 1857795060 JMVREUXNMBRSOD-QTQRRKOQSA-N 499.660 6.237 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(N)=C(C#N)[C@H]2c1ccc(Br)s1 705716 JWPPTFHATRORKP-IBGZPJMESA-N 472.383 5.591 50 40 JKGB N#C/C(C(=O)Nc1ccccc1F)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2330993 FKUNMRPUOYWNRX-VYUMYAIBSA-N 477.948 5.544 50 40 JKGB COc1ccc([C@H]2C(C#N)=C3Sc4ccccc4N3C(N)=C2c2nc3ccccc3s2)cc1 2401842 OJSDIGQSAJZHJM-QFIPXVFZSA-N 466.591 6.077 50 40 JKGB Cc1c(Cl)cccc1N/C(SCc1ccc(C#N)cc1)=C(/C#N)c1nc2ccccc2s1 3344935 CBYTUZVUKHIYSD-LYBHJNIJSA-N 473.026 7.367 50 40 JKGB N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 8748617 COYXWVNKLVCXJT-QFIPXVFZSA-N 472.953 5.712 50 40 JKGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC3CCCC3)c(Oc3ccc(Cl)cc3Cl)nc12 9345389 WYCTZUPSCLMBCT-RVDMUPIBSA-N 483.355 5.068 50 40 JKGB Cc1ccc(CSc2nnc(SCC(=O)N/N=C/C(Cl)=C\c3ccccc3)s2)cc1 9379662 POONMPQLDXGLCA-NFONABDZSA-N 475.064 5.613 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)sc(C)c1C 9424152 GNDCIHGEHLYIRN-GDNBJRDFSA-N 454.533 5.550 50 40 JKGB CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)c1ccc(Cl)c(Cl)c1)=C(C#N)[C@@H]2c1cccnc1 9631496 IZMWYDDENJYOOW-QFIPXVFZSA-N 498.435 6.070 50 40 JKGB COc1ccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 12042986 TXSVURPLDXSPPN-FQEVSTJZSA-N 471.460 5.274 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1cccs1 12465094 BZERYLRYNCRQAO-HYARGMPZSA-N 470.670 5.678 50 40 JKGB CC(C)Oc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2c3sc3nc4c(cc32)CCCCC4)cc1 12856537 PQJCJBAVQZIZSI-OAQYLSRUSA-N 498.608 5.412 50 40 JKGB CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)c1O 13943719 GKXCGUBUQIINAX-LGJNPRDNSA-N 459.329 5.294 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1Cl 14165875 JYWYKLZAGSTKIA-WYMPLXKRSA-N 456.955 5.039 50 40 JKGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 27519370 OXCQOBWTGJKBQK-IPPBACCNSA-N 490.346 5.872 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccccc1F 33793560 YXNOMJYRXXDQAS-SXGWCWSVSA-N 477.160 7.538 50 40 JKGB CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 59117481 DASQTYQZIPDBDV-MDWZMJQESA-N 454.151 6.090 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1 59478012 CHMQGCKSEFXQPH-VULFUBBASA-N 462.962 5.980 50 40 JKGB Cc1cc2c(cc1/C=N/NC(=O)c1cc3cc(Cl)ccc3o1)[C@H](C)CC(C)(C)N2C(C)C 223593070 QHULDMNYCJMQCL-YNCTYVJUSA-N 451.998 6.659 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3C)o2)c(C#N)c1C 408546643 KXFMWKFNYMGCIO-CXUHLZMHSA-N 478.957 6.046 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)c(Cl)c1 408735603 UWPXRTOAEFJDFE-VBIXMBBUSA-N 475.372 5.173 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2Cl)c1 408746333 YMLQYIVHOKPYTQ-JAIQZWGSSA-N 451.353 6.735 50 40 JKGB N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cccc(Br)c1 408762840 GNWOWCNDQAEGTA-WQLSENKSSA-N 462.130 6.562 50 40 JKGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCCCCCCC1)c1cc(Cl)cc(Cl)c1 408785607 ICPXMXQBOKPEOX-UHFFFAOYSA-N 476.470 5.536 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(I)cc2)cc1)C(=O)Nc1ccc(O)cc1 408793984 RAYIKKKYFDUNQK-QGOAFFKASA-N 496.304 5.121 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1cccc2ccccc12 408800577 PVNLFGXNNIRBDN-WATSXHCISA-N 462.549 6.212 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)c(C)c1 408811061 QMESSNFNGAITSV-ZXVVBBHZSA-N 482.583 7.735 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(N5CCCCC5)o4)cc3)cs2)cc1 408838045 BQQIZDDGJUQOCC-OGLMXYFKSA-N 485.613 6.209 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=N\NC(=O)c3cc4ccccc4o3)cc2Br)c1 408854918 BCPNEBWMNUXZBL-WKIKZPBSSA-N 497.776 6.500 50 40 JKGB COc1ccccc1NC(=O)N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 408859465 WZLQQQUOFWTLMQ-JJFYIABZSA-N 480.771 6.011 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2C)c(C)c1 408874046 YVHQQSDHBPCNNJ-XKJRVUDJSA-N 490.913 5.472 50 40 JKGB N#C/C(=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)C(=O)Nc1ccccc1F 408875268 IHUHWDYNWFFESI-HMMYKYKNSA-N 467.456 6.012 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408880962 LJKRMHFWUAASCF-KPKJPENVSA-N 473.228 5.615 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408883716 WFNGLJITTDNJJM-XNTDXEJSSA-N 494.847 5.503 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(C)cc1 408894033 IITNSYNMORBFSD-YBFXNURJSA-N 477.904 5.690 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)ccc1Br 408904421 JEJCABQNTNDJOU-MSXFZWOLSA-N 469.339 5.019 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)COc3ccc(-c4ccccc4)cc3)c2C)c(C)c1 408930704 AYRXRYQBKJMBKT-MNBJERMJSA-N 495.579 5.385 50 40 JKGB Cc1ccc2c(c1)c(/C=N\NC(=O)CSc1nc(C)cc(C)n1)c(C)n2Cc1ccccc1Cl 409050760 ZKMLSIKNFMFCLD-QDTIIGTASA-N 492.048 5.609 50 40 JKGB CC(C)COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1 409054448 GFNAMTWAKGNRDV-OVCLIPMQSA-N 478.184 5.792 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)o2)c(Br)c1 409253922 VZCOHVQIJXNNNH-AUEPDCJTSA-N 452.135 6.088 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1Cl 409366323 UIDIJAJHOPFIGX-LSCVHKIXSA-N 454.309 6.374 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccccc1 409390667 GLKCCQNKNKETQI-JAIQZWGSSA-N 499.323 6.472 50 40 JKGB N#C/C(C(=O)Nc1ccccc1)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 1790527 ZNOJHIBLRHIVFY-CKVBZJJFSA-N 459.958 5.405 50 40 JKGB CCOC(=O)c1oc2cc(OC(=O)CCCCl)ccc2c(=O)c1-c1nc2ccccc2s1 2199855 YSAANJSUQONBJL-UHFFFAOYSA-N 471.918 5.171 50 40 JKGB biogenic COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2321499 IKFYEXXIPNLNKR-UEKTYDJUSA-N 489.984 5.414 50 40 JKGB N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)S(=O)(=O)c1ccccc1 6162803 JVAWBGIHMYVMIW-JUNLCRQGSA-N 489.600 6.381 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 9235343 RFLVVJOVYZCMPX-YBFXNURJSA-N 497.511 5.178 50 40 JKGB N#C/C(=C\Nc1ccc(Oc2ccccc2)cc1)c1nc(-c2cccc(Br)c2)cs1 9445055 CEAYUGAXBVDYSC-OBGWFSINSA-N 474.383 7.341 50 40 JKGB CCN(CC)CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1 9638657 ZDBQUVCOHWGLTC-CAPFRKAQSA-N 481.021 5.939 50 40 JKGB COc1ccc2ccccc2c1[C@H]1CC(=O)N2CN(c3ccc(C)c(C)c3)CSC2=C1C#N 9693495 OCFZORFBEYDWPD-QFIPXVFZSA-N 455.583 5.685 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3C#N)cc2)c([N+](=O)[O-])c1 15932202 ZSRTWSOLEBAJMQ-WOJGMQOQSA-N 469.413 5.021 50 40 JKGB CCC1CCC(=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)CC1 16636800 GNBQDUQVMJTPKP-UHFFFAOYSA-N 482.433 5.261 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 18115172 WIHVCVANLCVPEV-AWQFTUOYSA-N 473.363 6.581 50 40 JKGB Cc1ccc([C@H]2CC(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)=NN2C(=O)CCl)cc1 23055277 HSYCKYMZJLSDAG-HSZRJFAPSA-N 490.390 6.073 50 40 JKGB CC(C)c1ccc(/C=N\NC(=O)CSc2nnc([C@H](C)Nc3cccc(Cl)c3)n2C)cc1 28632647 YKANXRPZKGGWMS-QQAHGDJHSA-N 471.030 5.007 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 33396955 BJTDZHRFBIGXNB-ZDLGFXPLSA-N 469.722 6.654 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Cl)c1C 59201424 DOXBXIOXRUNHPO-UDWIEESQSA-N 495.804 6.844 50 40 JKGB CCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103528106 CCNXQDBADRPQIJ-SECBINFHSA-N 472.173 7.009 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC 408538142 JUBQTQVJLMCSJS-XMHGGMMESA-N 456.970 6.339 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1ccccc1 408541396 CNGPUHRMJPSJLZ-MTJSOVHGSA-N 478.342 6.189 50 40 JKGB CC[C@H](C)Oc1c(I)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC 408568764 KUNYDIUKTCHIIB-OBTCNRAFSA-N 491.304 5.557 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2n1Cc1ccccc1Cl 408598899 CJDXHCGWPACZDJ-OCSSWDANSA-N 458.005 6.713 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccc(N2CCCC2)cc1 408675847 BSRAMISCBWTEJZ-STBIYBPSSA-N 456.977 5.707 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408744095 WNRZKCFLFLJXSA-ZDLGFXPLSA-N 463.877 5.381 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)NCc1ccccc1 408745727 ACWLPNXDSGRXIY-OCKHKDLRSA-N 455.316 5.935 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1O 408796976 ZRNRLPZUTZYGHB-XDHOZWIPSA-N 493.357 5.678 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(OCc2cccc([N+](=O)[O-])c2)c1 408800588 PZCRPWJOZAMOOK-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)c(C)c1 408803270 NCHVZAKRDSGTNP-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1Cc1ccccc1Br 408865106 BOGZYQVMBXMOLQ-HYARGMPZSA-N 475.386 6.293 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OC(C)C 408868367 OFMOMKIKFVMJDV-OVCLIPMQSA-N 497.311 6.199 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cc1ccccc1Br 408869709 TWDQFKRGYRKHEN-YBFXNURJSA-N 492.329 5.502 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCc1ccc(Cl)cc1Cl 408889948 LOOLAPRTGUMEAW-YBFXNURJSA-N 467.352 6.435 50 40 JKGB CC[C@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1 408954502 XHVVTIFPJHJAPT-BAMHMFCISA-N 451.570 6.394 50 40 JKGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 408973645 NIAFLYACGKTKNV-APWQXFQUSA-N 487.625 5.054 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1 409056025 KMAGBUYUJLSRBG-FYJGNVAPSA-N 473.960 5.828 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)c1nc2ccccc2o1 409072583 CSEHCUJEMSYYNL-RQZCQDPDSA-N 465.292 6.476 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1 409075354 XHNXDDKNLUXJNT-QGOAFFKASA-N 497.370 5.071 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(Cl)cc1Cl 409124464 KOPLNRDHBJFXCE-DEOSSOPVSA-N 483.351 5.895 50 40 JKGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 409226063 RRAVIQQZJMKEDU-SFQUDFHCSA-N 466.324 5.557 50 40 JKGB Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(C)c1 409254331 WZOAXNCWWXYQLH-HZHRSRAPSA-N 453.542 5.483 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1Cl 409360794 FWDSPVXEWGGKBO-OCKHKDLRSA-N 468.336 6.764 50 40 JKGB CCc1ccc(CC(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 409363773 NHKCYASJFGFITJ-FSGOGVSDSA-N 452.554 5.683 50 40 JKGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c2C)n1 409370452 RDKRPZANRIZPHQ-BUVRLJJBSA-N 465.513 5.730 50 40 JKGB COC(=O)c1ccc(Cn2cc(/C=C3/C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)c3ccccc32)o1 409394116 VWVBHTHIRLXLPT-JMIUGGIZSA-N 475.508 5.078 50 40 JKGB Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1 934965 TWRANUWTXFANDP-SJCFVWOQSA-N 481.621 5.089 50 40 JKGB Cc1cc(N(CCCl)CCCl)ccc1/C=N/NC(=O)[C@@H](Cc1ccccc1)c1ccccc1 1719330 ORRVNBBORUQXSH-RLBBTWETSA-N 482.455 5.756 50 40 JKGB COc1ccc(OC)c([C@@H](Nc2ccc3c[nH]nc3c2)P(=O)(c2ccccc2)c2ccccc2)c1 1744032 LJIDMZNNGZTUTN-NDEPHWFRSA-N 483.508 5.705 50 40 JKGB COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Cl)c3)nnc2-c2ccc(C)cc2)cc1 1812314 VYESMXORBQLAHW-JFLMPSFJSA-N 492.004 5.147 50 40 JKGB CCOc1ccc(Br)c(/C=N/NC(=O)c2ccccc2OCc2ccccc2)c1 2098667 RHMBVSHXNXRKRN-MFKUBSTISA-N 453.336 5.191 50 40 JKGB O=C(O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccccc1F)N2 6445673 OCDBIIVGALZXKN-KBNSAFIFSA-N 498.963 6.471 50 40 JKGB Cc1ccc(C(=O)C/C(=C\C(=C(\C#N)c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)c2ccccc2)cc1 8636573 MUOCNSAJVLIYMM-GLVFWTRYSA-N 498.582 8.003 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc1Cl 9262394 FSCPPZGKYIERMD-WOJGMQOQSA-N 467.308 5.816 50 40 JKGB O=C(CSCc1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 20247922 UAPXOKOHJPASCO-LGJNPRDNSA-N 459.398 5.956 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccn3C)nnc2-c2ccc(C(C)(C)C)cc2)cc1 30742838 QRCDEIGPEMNZMM-QRQIAZFYSA-N 486.645 5.121 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(C)cc1 59333070 SYRFRYUYLTUXAZ-XHPQRKPJSA-N 481.596 5.229 50 40 JKGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)c2C)cc1 408567953 HCPVUVXPIPPSOB-JVWAILMASA-N 479.671 5.664 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1OC 408583868 XYOZLGFQGJRUHF-UDWIEESQSA-N 462.933 5.747 50 40 JKGB CCOC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1 408724632 CSKOWQXJQOTKRA-SXGWCWSVSA-N 464.743 5.550 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)c1 408743540 GNDVXGUUYWROEX-UQQQWYQISA-N 496.010 7.181 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)c(C)c1 408767130 VZCGRKNHAZATNO-NDENLUEZSA-N 492.373 5.497 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 408788674 FDTPVLXCTWFJQW-YBFXNURJSA-N 469.343 6.820 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408797736 SOFUPAOOSSNGOW-WOJGMQOQSA-N 467.308 5.816 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 408799475 ZGDFAQSBAZUNQI-FOWTUZBSSA-N 451.276 5.041 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)Nc2ccccc2C)c1Cl 408812998 CPTYBQYJMJQJGJ-NTCAYCPXSA-N 484.339 6.361 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)cc1 408816390 LKWBCRALABVGLV-OVVQPSECSA-N 461.565 5.993 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(OCc2c(C)ccc3ccccc23)c1 408817183 ZWRDGOHTYBJMNT-LFVJCYFKSA-N 462.549 6.590 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)c(OC)cc1Cl 408828074 NGIHWFAHPROJGF-VCHYOVAHSA-N 496.922 5.630 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 408842483 ADPSPWQIEZULNT-LJUMEUDFSA-N 481.527 6.322 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Cl)c1OC 408890249 QICNAMQIZRCSJH-XCVCLJGOSA-N 456.669 5.118 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(SCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)c1 408992312 RREHEPLHLCPLHO-CPNJWEJPSA-N 472.526 5.180 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1 408998420 QINPOUPVZIBLFG-UXHLAJHPSA-N 488.503 5.917 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)o1 409042051 XGOUOIHSYHRGJN-RHANQZHGSA-N 476.492 6.142 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3)c2C)sc(C)c1C 409193864 GKBOHQZNPVEPDO-XDHOZWIPSA-N 463.559 5.113 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Br 409221360 PHKJPNLMOKSLQU-BOPFTXTBSA-N 492.211 5.266 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)cc1OC 409315076 MZRRQMSBUNJBHN-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 409348247 OIFMHNWXHLCIIY-LGJNPRDNSA-N 472.770 5.244 50 40 JKGB N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cl)cc1 916788 AETZQXQYFNFTGV-IWGRKNQJSA-N 487.346 6.085 50 40 JKGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 1767420 PHXCSAURRYSUTJ-WLRTZDKTSA-N 483.207 6.893 50 40 JKGB Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)c1C 3139366 UIACTWPLFHVTIS-MZJWZYIUSA-N 450.922 5.014 50 40 JKGB CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccsc3)C3=C2CCCC3=O)sc2c1CCCCC2 3666597 KVURQZHXXUYETK-NRFANRHFSA-N 493.654 5.560 50 40 JKGB CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1NC(=O)c1cccc(C(F)(F)F)c1 4109975 YQMIFPIHQWOMNG-UHFFFAOYSA-N 498.505 5.935 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@@H](c3ccccc3)Nc3ccc4ccccc4c3[C@H]2[C@H]1Cl 6473941 MNJHTWREHWCETR-AFQLDLLMSA-N 487.024 7.787 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)ccc1OCC(=O)c1ccc(Cl)cc1 6906912 KWIVTKIKFXVHSB-BKUYFWCQSA-N 486.980 6.798 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9057373 ZMKPAVDWPVQVBQ-KGENOOAVSA-N 483.911 6.526 50 40 JKGB Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@@H](c3cccc(Br)c3)CC(=O)N2C1 9693429 UFLMYBOTUKFEFQ-MRXNPFEDSA-N 474.811 5.630 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1cccc(C(=O)O)c1 9972687 QORFBHBMPJGBJA-ODLFYWEKSA-N 492.915 5.267 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 10130922 WQAMNWHNXNNVCR-HMAPJEAMSA-N 499.523 5.552 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1cccc2ccccc12 13858060 IYBFPEGWSBETIJ-FDAWAROLSA-N 496.563 5.604 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccc(I)cc1 33541423 ONQHFEAERDEJFR-PDGQHHTCSA-N 485.296 6.082 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 33957610 GKWCBRGCUNXIAL-CVKSISIWSA-N 486.440 5.221 50 40 JKGB CCOc1ccc(NC(=O)C(=O)N/N=C2\CC[C@@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@@]23C)cc1 71785141 MNXVBXWQINRGGF-VEDTWNODSA-N 489.616 5.061 50 40 JKGB CC1(C)CC[C@]2(C(=O)NN)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 96113534 APYOKISKLZLBOK-KHVXJZGASA-N 486.741 5.110 50 40 JKGB C1=C[C@H]2C[C@H]1[C@@H](P(c1ccccc1)c1ccccc1)[C@@H]2P(c1ccccc1)c1ccccc1 100059838 CDJHPMXMJUCLPA-NZWZHHCMSA-N 462.513 6.195 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(O)CC(C)(C)CC3=N2)c(C)c1 103886411 UIUCXZWKQAYBCN-HSZRJFAPSA-N 477.655 6.642 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 107583978 LWFBCNPUSWGKJM-MYYYXRDXSA-N 483.520 5.853 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1OCc1ccccc1 212423707 DRDNOFLFVBLORN-CPNJWEJPSA-N 463.331 5.582 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)c2ccc(Br)cc2)cc1 408579171 DANKRPRTSZWNRM-XMHGGMMESA-N 454.345 5.589 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 408746320 RTGPDDLKADIOCL-PXNMLYILSA-N 475.734 6.911 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1 408775807 SEQLQAGWASSXQA-MOHJPFBDSA-N 462.549 6.672 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1cccc(F)c1 408790785 YRGPVOFILLFAGI-VCHYOVAHSA-N 499.767 6.675 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3F)c3ccccc23)cc1 408794501 IRRIAKUDJNDMMN-RCCKNPSSSA-N 467.500 5.551 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C)c(C)c1 408796314 ABXYMUXCFKIBSL-ZMOGYAJESA-N 489.015 7.097 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1cccc([N+](=O)[O-])c1 408798809 XDQBBCJHGAOUMD-CIAFOILYSA-N 457.486 5.345 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(Cl)c(Cl)c1 408803685 SCYNWLLKLFHECX-WOJGMQOQSA-N 485.342 6.656 50 40 JKGB Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 408885245 YPCITYOQIVTCGP-RGVLZGJSSA-N 461.905 5.990 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccccc1Cl 408887871 RTTLOPLOEGQTRS-VCHYOVAHSA-N 497.334 5.825 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2Cl)cc1 408892106 BDBZWJGJTFSOCD-LDADJPATSA-N 491.887 5.330 50 40 JKGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 408906637 CPEWAYIQRCALFP-YMSFFTPVSA-N 474.344 5.061 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1OCc1ccc(Cl)cc1Cl 408922021 DJYXNRICMTWBEV-LUOAPIJWSA-N 498.193 6.652 50 40 JKGB Cc1c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc2n1Cc1ccccc1C#N 408963891 DOHKZNHICWIUJR-WKULSOCRSA-N 477.480 5.288 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)c1C 409064209 CNVDWJKWHADZFS-XMHGGMMESA-N 466.946 5.270 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCCOc1ccccc1C 409198679 JPDZYZRTCGHYEE-RCCKNPSSSA-N 462.571 5.136 50 40 JKGB COc1ccc(/C=C/C(=O)Oc2c(/C=N\NC(=O)c3cccc4ccccc34)cccc2[N+](=O)[O-])cc1 409221893 BKLZTQNGVAMDKY-KNQSDFNGSA-N 495.491 5.139 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 409251790 QGUIAYTUSHYXMK-PPDIBHTLSA-N 493.735 5.653 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC)c(OCC)c2)ccc1OCc1ccccc1 409316499 YJXBLECWMLGQSK-RHANQZHGSA-N 496.991 5.879 50 40 JKGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 409366756 VVAQOOMUACKBPT-DHRITJCHSA-N 458.301 5.173 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)[nH]c2c1 409390826 FVAXFSCDKFUTMO-UYRXBGFRSA-N 463.497 5.855 50 40 JKGB CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(Br)c1OC 409392265 ONIOFLDAWOTVNE-QQXSKIMKSA-N 467.363 5.139 50 40 JKGB O=C(N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1c[nH]c2ccccc12 3238216 SBVVBFYTOFGWQG-UZWMFBFFSA-N 454.533 6.543 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(F)cc4)c32)ccc1OCc1ccccc1 8566451 BBIZPCPJLZIVTJ-HSZRJFAPSA-N 468.488 5.022 50 40 JKGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)CC(=O)N1 9014869 YOWPKYXUWHGHEN-HSZRJFAPSA-N 483.593 5.285 50 40 JKGB CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccco3)nnc2-c2ccc(Cl)cc2)cc1 9031510 BLQUTDJXZCWION-QQXSKIMKSA-N 495.992 5.212 50 40 JKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1 9159010 BQDXLHLOMMESIU-LTGZKZEYSA-N 483.535 5.252 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c(Cl)c1 9288162 WNQDRVYSUOPDGS-RPPGKUMJSA-N 461.732 5.938 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1cccc2ccccc12 9311030 BMCPNVQQCDBJNY-ONUIUJJFSA-N 462.549 6.041 50 40 JKGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)c1 9357778 YOEQSFNGGUJPDF-MEIHLTSWSA-N 491.591 5.718 50 40 JKGB COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1 9375239 GAZJVMNGBFKMBL-KNISEUQBSA-N 452.514 5.093 50 40 JKGB CCOC(=O)N1CCC(=NNC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)CC1 12555425 JGFDOUNHPBVIIF-UHFFFAOYSA-N 471.557 5.271 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 20763870 HLKDIIICFKEDPX-MZJWZYIUSA-N 473.356 5.744 50 40 JKGB CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)cc1 26779592 MAQJTAMKRJCTSJ-RELWKKBWSA-N 492.673 8.105 50 40 JKGB CC(C)c1ccc(/C=C(\C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1 27023451 XFXOPGNCWXINID-XSFVSMFZSA-N 490.053 7.965 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2)cc1C 33595902 USGUFTNYIWOPSR-ODLFYWEKSA-N 494.378 6.173 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2C(F)(F)F)c1C 58913193 QYHIUFJZIQVUAS-KVSWJAHQSA-N 476.886 5.164 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccco2)cc(Br)c1OCc1ccc(Cl)cc1Cl 59425687 ZQXGBSPXGGJYTQ-YSURURNPSA-N 498.160 5.700 50 40 JKGB Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 102580997 WUUUBJHZSSYCKA-QHCPKHFHSA-N 478.017 6.598 50 40 JKGB CCN1c2ccc(/C=N/NC(=O)c3cc(Br)ccc3OC)cc2[C@@H](C)CC1(C)C 223530317 RMVRUMDKNMSZOX-CAUYNWHBSA-N 458.400 5.334 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c1C 408527000 DQWXYERDAFXRKH-XKJRVUDJSA-N 478.902 5.337 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408533969 UGNSCOGEWBHSMJ-IPPBACCNSA-N 486.399 5.842 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3C)n2)c1 408724103 FKAXMXQNWIXPDC-NDZAJKAJSA-N 460.537 5.773 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc2ccccc2c1 408742380 AEVZGATWGCQRBA-OYKKKHCWSA-N 482.967 6.935 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c1 408775562 IOEIOPRMUFDSKU-JWGURIENSA-N 463.493 6.181 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1Cl 408792190 JGYFKCLXGQSFJK-CIAFOILYSA-N 495.406 7.134 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)cc1C 408797155 BLOADPSAGRLRIY-TURZUDJPSA-N 488.587 7.007 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc(F)c1 408797726 SRNWLHXXVGPQMQ-VXLYETTFSA-N 450.897 5.921 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(OCc2cccc([N+](=O)[O-])c2)c1 408800720 OVIOHZKLGCFKRR-FYJGNVAPSA-N 457.486 5.345 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1cccc(Cl)c1)C(c1ccccc1)c1ccccc1 408817133 VDVVETDEQJHIHU-NDZAJKAJSA-N 454.957 6.201 50 40 JKGB O=C(N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1cc2ccccc2o1 408846329 MVZFGMCOIRESLF-QDTIIGTASA-N 462.336 6.507 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2Cl)cc1 408871593 ZVNRYQOOCQIZEO-CPNJWEJPSA-N 481.777 6.248 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1 408894426 IBIMBHOQVMVKCZ-XDHOZWIPSA-N 481.335 5.905 50 40 JKGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 408910195 GEFSIMFYBIZFAB-VULFUBBASA-N 467.363 5.174 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)c1C 409049090 WDOQQOXUOPNQPT-VXLYETTFSA-N 469.343 6.874 50 40 JKGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)C(O)(c1ccccc1)c1ccccc1 409073454 NFNDEJOBKUDNJL-VUTHCHCSSA-N 472.997 5.877 50 40 JKGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1 409132622 KHXXQKYJYAINPO-LJVLJBDNSA-N 454.595 6.358 50 40 JKGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2ccccc2)cc1 409226665 QQLAVRFDKIKIBN-LXWUJMGXSA-N 489.959 5.317 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cc(C(=O)O)ccc2Cl)c1C 409336300 NLQNDASEBPZBQU-ZDLGFXPLSA-N 468.340 5.953 50 40 JKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(I)cc3)o2)c([N+](=O)[O-])c1 409368629 FMQYEYKMCBKNSO-PTNGSMBKSA-N 456.239 5.832 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccccc1F 409389858 CMQVVJHQBVDDBH-GRSHGNNSSA-N 470.313 6.769 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)ccc1OCc1ccc(F)cc1 987155 QMZYVSOPSVEFGU-OAQYLSRUSA-N 474.517 5.083 50 40 JKGB N#CC1=C(S)N(c2ccccc2)[C@@H](c2ccc(-c3ccc(Br)cc3)o2)NC1=O 1453188 TZEVGPYGAOXFPH-IBGZPJMESA-N 452.333 5.009 50 40 JKGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(COc2ccc(Cl)cc2C)c(C)cc1C 2730578 XPFBTUPQSXGFAR-DEOSSOPVSA-N 466.965 5.489 50 40 JKGB O=C(Cc1c[nH]c2ccccc12)N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1 2754074 VOYDRFOYNLIOBQ-CCVNUDIWSA-N 480.337 5.341 50 40 JKGB Cc1ccc(-c2csc(N(NC(=O)NC3CCCCC3)C(=O)NC3CCCCC3)n2)cc1 8754503 QMCNZLXMFWVRBD-UHFFFAOYSA-N 455.628 5.514 50 40 JKGB CCN(CC)c1ccc2cc(SSc3cc4ccc(N(CC)CC)cc4oc3=O)c(=O)oc2c1 9235417 XEEJHFPWLFLPGU-UHFFFAOYSA-N 496.654 6.391 50 40 JKGB N#CC1=C2SCN(c3cccc(Cl)c3)CN2C(=O)C[C@H]1c1cccc(Br)c1 9693435 YKAKKOVUCREBHB-KRWDZBQOSA-N 460.784 5.322 50 40 JKGB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 14359500 PWRCKBVHCCAOPI-UHFFFAOYSA-N 499.680 6.082 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)c1 16693260 GYGPNOYWPNAHCW-STZFKDTASA-N 487.512 5.517 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)c(C)c1 20194985 GAYFBWIVUUPODX-MZJWZYIUSA-N 485.809 5.991 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccccc1Br 20241173 PEFOOIKZAKLXSE-IXBOPPFXSA-N 490.854 6.141 50 40 JKGB Cc1cccc(CN2c3ccccc3C3=C([C@H](c4cccc(Cl)c4)C(C#N)=C(N)O3)S2(=O)=O)c1 20558651 HZUMMVWYOIJVJU-HSZRJFAPSA-N 489.984 5.175 50 40 JKGB O=C(c1ccc(Cl)cc1Cl)[C@H]1O[C@]1(CBr)c1ccc(Cl)cc1Cl 23234506 MXBHCTXNQDNXRS-HZPDHXFCSA-N 454.962 6.172 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccccc1Cl 23724020 IKTDSAKYPDAXLO-DEDYPNTBSA-N 489.959 5.529 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC2CCCCC2)cc1C 27019005 YBGLICADSBKVQE-PTGBLXJZSA-N 466.585 5.768 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C\C=C\c3ccccc3)n2-c2ccccc2)cc1 36686486 LSPKTXQJAAEYRL-UWRPBMCQSA-N 453.571 5.150 50 40 JKGB CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 40476965 XDPCWZUVDRPVBT-HAVVHWLPSA-N 457.599 7.011 50 40 JKGB N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cccc(Cl)c1Cl 59336003 VWOKKNTUSCRYLX-FLIBITNWSA-N 452.124 7.106 50 40 JKGB O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)C(O)(c1ccccc1)c1ccccc1 59447286 KBFITXNWBOEGOP-STKMKYKTSA-N 486.571 5.805 50 40 JKGB O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)c1cc(-c2ccccc2)nc2ccccc12 102984788 CDUKJCFQEPYKSA-XPXRSFDGSA-N 482.543 5.583 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)c(Br)cc1OCc1ccc(F)cc1 108013266 MOWGDTAGCIAORX-ZDLGFXPLSA-N 492.348 6.425 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OCC 108266212 HFILLFGXJBHPBA-STZFKDTASA-N 454.998 6.860 50 40 JKGB C[C@@H](CCC(=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 118914653 XNTZTQJAAZNSGD-UARXOXBWSA-N 453.461 6.089 50 40 JKGB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3[C@H](Br)C(=O)[C@@]21C 123326535 UBRJOFJFNRMMKB-IPEHBPSRSA-N 453.461 6.089 50 40 JKGB CCn1c2ccccc2c2cc(NC(=O)C(=O)NN=C(C3CCCCC3)C3CCCCC3)ccc21 199409106 CRLOMFRONAUESA-UHFFFAOYSA-N 472.633 6.386 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3cccc(Br)c3)cc21 223502321 RKJKIDTZNDFEQU-VULFUBBASA-N 454.412 5.932 50 40 JKGB COc1cc(/C=C/C(=O)Cl)cc(Br)c1OCc1cccc(Br)c1 226336951 HHZFNXGSVFVENC-AATRIKPKSA-N 460.549 5.578 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(I)c1OC 408535087 XNAVSUCKEIGCOU-QPEQYQDCSA-N 470.104 5.135 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1 408745160 KLZWFPNVZYISJS-PTNGSMBKSA-N 487.821 6.605 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408795065 KYNUMGLNEQWHEE-XDHOZWIPSA-N 477.904 5.772 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC#N 408844609 IBBUTUFCNSLEMQ-FSGOGVSDSA-N 464.525 5.128 50 40 JKGB Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)CSc2nc3ccccc3s2)cc1 408883677 VZJPPOCPQYHDON-AFUMVMLFSA-N 461.568 5.066 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccccc1 408895892 OJGZXWIXMCIGQK-FYJGNVAPSA-N 457.486 5.427 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)o2)cc1 408904384 IRPUVKGPYROVBN-CFRMEGHHSA-N 470.323 5.350 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1Cl 408986436 LZVAAXVKPKYYRD-NVMNQCDNSA-N 499.767 6.675 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OCC 409215459 ZGIHDUQRQBMNMI-SSDVNMTOSA-N 471.804 5.142 50 40 JKGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 409239549 YWQCMEGZTHAAQV-FJEPWZHXSA-N 453.439 5.540 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1 409261592 DWKMGQDJDWMXSM-ODLFYWEKSA-N 494.378 6.173 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OCC 409335996 QSKXRQWARVVVCR-MBTHVWNTSA-N 487.383 6.134 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1Cl 409366529 VOFFVAISUYSOLO-MUXKCCDJSA-N 471.384 5.891 50 40 JKGB CCCCOc1ccc(-c2cc(C(=O)N/N=C/c3cn(CC)nc3C)c3ccccc3n2)cc1 2109806 OKHCPIVKRXUTKK-OGLMXYFKSA-N 455.562 5.369 50 40 JKGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 8717772 GDIQDTMPRZILET-HWLQVLAGSA-N 491.794 5.092 50 40 JKGB Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 9232780 XCDDPOONAZKRJC-MUFRIFMGSA-N 498.410 6.140 50 40 JKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cccc(I)c1 9762260 FRTGDKXPXSNOBZ-ZVHZXABRSA-N 450.279 5.362 50 40 JKGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 20158525 YQYKTHNYQKBIAK-APICWZDASA-N 495.988 5.314 50 40 JKGB O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NN=C1CCCCCCC1 20233186 ITOXNLMHOAYQEL-UHFFFAOYSA-N 482.433 5.405 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 33684099 HWXZSRPJSPRVSW-FJEPWZHXSA-N 492.934 5.992 50 40 JKGB CCCCc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)c2C)cc1 408551644 DXTQYMZGIMCSEC-XQNSMLJCSA-N 482.653 6.794 50 40 JKGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 408568234 SDNNQFIMENUMRD-MUFRIFMGSA-N 469.412 6.563 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)c2ccc(Br)cc2)cc1 408579828 KBTLXZCJCIFRJY-UDWIEESQSA-N 483.203 7.163 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 408580436 PMGOHHMELRQBHS-XDHOZWIPSA-N 488.392 6.532 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)cc1 408744679 MMQNDHBIBUGYBD-MTJSOVHGSA-N 487.943 5.744 50 40 JKGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC 408793187 NTHWPBMDLJNPJE-RIYZIHGNSA-N 496.188 6.265 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1cccc(C)c1 408797414 RTOIGFFWGBCEJQ-YBFXNURJSA-N 467.352 6.435 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Cl)c2)c1 408797938 HHLYOVPOMFZRMZ-BUVRLJJBSA-N 480.995 7.543 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 408801763 BLZUZBTTYZGSAB-FYJGNVAPSA-N 481.379 5.847 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408803577 QSGJXRVXNVMIGV-DTMXKTEGSA-N 456.546 5.508 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 408805018 IMAAKSJULHSZAD-HYARGMPZSA-N 495.406 6.237 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1ccccc1F 408817849 YNEFKFFDUBXOIF-MTJSOVHGSA-N 491.349 7.410 50 40 JKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)c1 408879672 DMMILMMNDOURGJ-CIAFOILYSA-N 479.805 6.856 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1cc(C)cc(C)c1 408882950 PQZXYOPGDYWPNF-LPYMAVHISA-N 490.987 6.489 50 40 JKGB C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)C(C)(C)C 408923283 GULUVNUPZKXFER-VULFUBBASA-N 489.947 5.092 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(Br)cc1OC 409024276 PDVYPUCQFGZVKP-YVNNLAQVSA-N 451.704 5.020 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1Cl 409078562 IUEMSHYNGHYNFP-LPYMAVHISA-N 450.365 7.374 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)c(C)c1 409080838 NYJLWYZVTFWOKT-WQRHYEAKSA-N 481.430 6.568 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1C 409265581 UAAUVNIZPOOBBK-XSFVSMFZSA-N 489.959 5.610 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2)c1 409271007 SOMRPCVLSWLKBK-MOSHPQCFSA-N 459.933 5.520 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Br)c1OCc1ccc(F)cc1 409372954 TWLSKOVYAHCYRW-WOJGMQOQSA-N 473.342 5.095 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cccc(Br)c1)C(N)=C(C#N)[C@H]2c1ccc(F)cc1 1064079 YOGGKZYNEVSFEB-OAQYLSRUSA-N 466.354 5.529 50 40 JKGB C=CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)c(C(=O)OCC)c1C 2337121 RGSCSXLYQCROFH-AQTBWJFISA-N 493.610 5.985 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3F)N(c3ccccc3)C2=O)cc1 2351526 LIDSHIFKXLXQEB-BDPHVXEFSA-N 457.530 5.199 50 40 JKGB COc1ccc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(C)cc1 2769648 DGGMWGMRHOXNRN-ZEQKJWHPSA-N 450.542 5.176 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c1OCc1ccccc1Cl 2795111 CKWGXKSRVGTSHO-QGOAFFKASA-N 486.877 6.492 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)n1-c1cccc(Cl)c1 2807488 ZMCGVQDEFYEGMB-CXUHLZMHSA-N 478.301 6.965 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1 4352801 JGGOUKBDCZMBOG-MZJWZYIUSA-N 497.389 5.183 50 40 JKGB C/C(=N\NC(=O)COc1c(Br)cc(C)cc1Br)c1ccc(Cl)cc1 8386825 TXDBWYNCJSOOAC-SRZZPIQSSA-N 474.580 5.093 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc(Cl)c(Cl)c1 9019051 BKARBWZLDQOGDA-QRVIBDJDSA-N 497.498 6.078 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 9259131 DLJLGMIIXPXYTA-LDADJPATSA-N 497.429 5.638 50 40 JKGB CC(C)COc1ccc(C(=O)NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)cc1 13110241 XANMPDKHDKWYMY-UHFFFAOYSA-N 468.553 5.528 50 40 JKGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1cc(Cc3ccccc3Cl)ccc1O)CO2 13939983 NVERHGUKFYXODZ-ACHZEZRCSA-N 478.976 5.224 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccc(Cl)cc1 14134336 DTSAFCZXIFPKHS-KKMKTNMSSA-N 456.760 6.414 50 40 JKGB CC(C)(C)P(=NC(=S)NNC(=O)c1ccncc1)(N1CCCCCC1)N1CCCCCC1 15906315 HLTRFACFBYKBLQ-UHFFFAOYSA-N 478.647 5.183 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(C)c(Br)c2)cc1 20197531 WLDHYRVROIOVQP-SRZZPIQSSA-N 454.162 5.073 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)cc3Br)o2)c1 33319799 AEFLDSCFRBZMEU-VBKFSLOCSA-N 451.320 5.962 50 40 JKGB CCCCCCCCNC(=O)/C(C#N)=C\c1cc(Br)c(O)c(Br)c1 102989929 BQFIZSDSBCVMBI-ZROIWOOFSA-N 458.194 5.301 50 40 JKGB CCCCOC(=O)c1ccc([Si](C)(C)O[Si](C)(C)c2ccc(C(=O)OCCCC)cc2)cc1 253570766 OBHIWGDOZOAQDD-UHFFFAOYSA-N 486.757 5.141 50 40 JKGB CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC 408537453 FIUQYYROGAZGAI-RELWKKBWSA-N 450.579 6.379 50 40 JKGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1 408541971 GLQPDNNJLMDPDK-ZHZULCJRSA-N 452.514 5.270 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl 408726074 OSKOFRAKMSUHJZ-NDENLUEZSA-N 481.379 6.825 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccccc1F 408744968 OEQRSOZHHQPCEJ-ODLFYWEKSA-N 495.348 6.030 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 408790178 UQMAWUUHZGYIAR-WOJGMQOQSA-N 482.323 6.335 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCC#N 408796426 PAJYXRMTWBOCEX-WUXMJOGZSA-N 481.133 5.213 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1 408805767 HMAJTJSWFJEADF-WOJGMQOQSA-N 482.323 6.335 50 40 JKGB CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(OC)c(Cl)cc1OC 408825809 JMKWAGLVYSODDI-NTUHNPAUSA-N 465.731 5.064 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc2c(c1)OCO2)C(=O)Nc1cccc(Cl)c1Cl 408845372 MPBDLXDYGNHMAS-BOPFTXTBSA-N 467.308 5.847 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408853322 NKOYUUGFKOYHNP-KALUYTGESA-N 494.762 5.282 50 40 JKGB CCOc1c(Cl)cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC 408880995 JTSJCMHFCCSYRI-MUFRIFMGSA-N 489.056 6.131 50 40 JKGB Cc1cc(C)cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1 408887854 UKOJCSSYZNAMQZ-YDZHTSKRSA-N 489.413 6.807 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(OCc2cccc(F)c2)ccc2ccccc12 408895622 NRYBNJFXDWENKF-RCCKNPSSSA-N 470.931 7.065 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1 408924752 ODZUFQYAXCYUJX-MHWRWJLKSA-N 455.301 5.855 50 40 JKGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 408972537 DKHLZOUNRAMUOA-HIWKEIFESA-N 498.435 5.574 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4ccccc4o3)cc2Br)c1 409046747 LVTJZHLXDNBOSA-LDADJPATSA-N 488.341 5.980 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OCC)c1OCc1cccc(F)c1 409070766 ZFSMOYMGKIZPKF-BUVRLJJBSA-N 470.544 6.386 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cn(Cc4ccccc4C#N)c4ccccc34)cc2c1 409187890 VQXIAAMRINWWPW-UHBFCERESA-N 462.509 5.470 50 40 JKGB Cc1ccc(NC(=O)Cn2cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)c3ccccc32)cc1 409238090 YZBLXVRQLMYZIJ-RGNNIMSVSA-N 462.553 5.373 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Cl 409259237 XNYHXQMGXHHHGO-ODLFYWEKSA-N 494.378 6.173 50 40 JKGB CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1Cl 409327708 WNTZPIXSOAEBEP-VYYCAZPPSA-N 473.356 5.744 50 40 JKGB COc1ccc(CCN(C(=O)CCl)c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 932809 RTGAAJNROFCEAK-UHFFFAOYSA-N 451.375 5.295 50 40 JKGB CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 1769774 RPHJVQLCXOTRTP-GHRIWEEISA-N 483.351 6.756 50 40 JKGB O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)N/N=C/c1ccccc1Cl 1808784 NTLFYSNJNLCPSM-RUMWWMSVSA-N 477.995 7.169 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)cc1COC(C)=O 2089723 UEZYUUZWXOJHCN-KBVAKVRCSA-N 495.579 5.861 50 40 JKGB Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N/N=C/c3cc(C)n(Cc4ccco4)c3C)cc2)c1 2658199 URWOVQFGVAEKGW-KBVAKVRCSA-N 483.612 6.521 50 40 JKGB Cc1cccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)n1 8384962 SQFGIESILRVDDD-KNXALSJPSA-N 495.053 5.014 50 40 JKGB Cc1ccc(NC(=O)[C@]23CC[C@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1 8433313 REKYONRMOXMTDQ-VUCTXSBTSA-N 494.065 5.619 50 40 JKGB C/C(=N\NC(=O)c1sc2cc(F)ccc2c1Cl)c1cccc(NC(=O)c2ccc(C)o2)c1 8455949 ZOICOIHFJZWUKO-UVHMKAGCSA-N 469.925 6.002 50 40 JKGB CC(C)c1ccccc1NC(=O)COc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1 9442844 LZOFUJWQBXEMFX-LTGZKZEYSA-N 455.562 5.210 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccccc2Cl)o1)/C(=C\c1cccs1)NC(=O)c1ccccc1 9720525 AYLXYPMDVRTTTB-QHPKCYJTSA-N 475.957 5.583 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cc(C(F)(F)F)ccc1Cl 12524917 BFDITASIJBUWSN-MHWRWJLKSA-N 478.301 6.965 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)C3=C(CCCC3=O)N2)c(C)c1 13174493 GLXWXOFTIHABRR-VWLOTQADSA-N 457.599 5.413 50 40 JKGB CCOC(=O)/C(C#N)=C/C=C(/c1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1 16682004 FNKFPSSRWMGZTK-LOYGXUSZSA-N 456.373 5.170 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)COc3ccccc3C)c2C)cc1C 20243717 HIDDUYGJQQJRBY-LGJNPRDNSA-N 468.395 5.311 50 40 JKGB Cc1ccccc1Cn1c(C)c(/C=N/NC(=O)c2ccccc2Br)c2ccccc21 20761136 PYZXCOTXKSDACQ-JFLMPSFJSA-N 460.375 5.833 50 40 JKGB CC(C)(C)c1ccc2c(Cl)c(C(=O)N/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)sc2c1 27024574 PSRYFSDAZPJSKH-LGJNPRDNSA-N 481.961 6.784 50 40 JKGB Cc1ccc([C@@H]2C(C#N)=C3SCN(Cc4ccccc4)CN3CN2Cc2ccccc2)cc1 28295152 SBKQYHKUJLBCSH-HHHXNRCGSA-N 452.627 5.711 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1cccc([N+](=O)[O-])c1 33625044 DWFPYHRGHPNONE-LQKURTRISA-N 485.496 5.108 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c3ccccc3cc3ccccc23)c(C#N)c1C 34760557 KINXRGRBOHRYRJ-DEDYPNTBSA-N 464.546 6.130 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 59266542 QNBQYVUIRRGGCZ-VCHYOVAHSA-N 455.316 6.566 50 40 JKGB N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(Br)cc1 96487965 SAFCMJIUWCITBM-JWGURIENSA-N 483.365 6.727 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1cccc2ccccc12 108156520 PTCAJEMIBZMFKB-PXLXIMEGSA-N 476.605 6.605 50 40 JKGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)cc21 208252278 UKKBBUWQDOSHED-SQOYCZJHSA-N 451.920 5.774 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1 408581080 UFRVLEOKVPCLJW-MHWRWJLKSA-N 478.784 6.787 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)NCc1ccccc1 408746226 CQGBRWJWGCJKOP-GRSHGNNSSA-N 471.771 6.449 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OCC 408753924 OQBNWOWPJMQWMU-RIYZIHGNSA-N 496.732 5.288 50 40 JKGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)o1 408763792 KGRNRYJHEMOVMS-GDNBJRDFSA-N 451.276 5.261 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccccc1F 408788489 KJXSCEQJIIJFDB-LICLKQGHSA-N 497.320 5.427 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1ccc(Br)cc1 408794470 JFBBMLSHNGXZDU-QGOAFFKASA-N 490.788 6.651 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OCc2ccccc2)c1 408798000 HOSGLWBXQQUEKZ-NLRVBDNBSA-N 490.559 6.399 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1 408798723 WTRXVZBTFOTRDE-HZHRSRAPSA-N 496.950 6.404 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408807571 DHCMRABVQPUAKH-LKZQPVPRSA-N 464.525 5.691 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 408810068 LMURNATUHJOPFC-WOJGMQOQSA-N 455.316 6.566 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)c1 408841870 IHOMPNNCKFRZTF-UVHMKAGCSA-N 498.391 6.233 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 408890757 YQYZVKHZFYQVSB-XDJHFCHBSA-N 487.342 6.911 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1OCc1ccccc1Cl 408893662 HKYYAPCGGNIURX-GZTJUZNOSA-N 498.322 6.035 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2cccc3ccccc23)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408956830 ZRYJJBZXWVLBAB-MUXKCCDJSA-N 475.932 5.128 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OCC)c1OCc1ccc(F)cc1 409065618 JRYWBLQWIYMUIL-PCLIKHOPSA-N 470.544 5.755 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccccc1 409242369 RJCIOEXPSUZSCN-JJWXFRNXSA-N 450.513 6.342 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2ccc(-c3ccccc3)cc2)nnc1-c1ccc(Cl)cc1 1834897 QGWTYPUZTJEXJA-JVWAILMASA-N 476.005 5.528 50 40 JKGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc(Br)cc1 1947142 CYMUMOGTHOOFMT-LGJNPRDNSA-N 472.770 5.244 50 40 JKGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccc(C(C)C)cc1 2310795 OATFRVKDUYMCGM-XZOQPEGZSA-N 477.586 5.068 50 40 JKGB O=C(N/N=C/c1cccc(Br)c1)[C@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 2315255 IYTVYWROVYTMIT-WSSSDRMFSA-N 488.212 6.212 50 40 JKGB O=C(Oc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1)c1cccc(Br)c1 3663679 HECZKVRFVWESCY-BRJLIKDPSA-N 492.156 5.739 50 40 JKGB CC[C@H](Oc1cccc(Br)c1)C(=O)N/N=C/c1ccccc1OCc1cccc(OC)c1 3664211 HTOPYRRIBSSVEC-JEWPKMHUSA-N 497.389 5.344 50 40 JKGB COc1ccccc1NC(=O)C1=C(C)NC(SCc2ccccc2)=C(C#N)[C@H]1c1ccoc1 9349750 BZMHVUWCUXRTIM-XMMPIXPASA-N 457.555 5.556 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(O)c3c4c(sc3n2)CCCC4)ccc1OC(=O)c1ccco1 9662267 IQUOQYPGYGGDMX-RVDMUPIBSA-N 473.510 5.161 50 40 JKGB N#CC(C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)=C1Nc2ccccc2N1 9868747 PBMVOPGZCIKURG-UHFFFAOYSA-N 462.538 5.140 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 10475935 UBCKKZVASAXZPV-UXHLAJHPSA-N 472.972 6.164 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1cccc(C(F)(F)F)c1 12548934 JDLLJRMMINVFGW-HYARGMPZSA-N 480.486 5.559 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)cc1 12560343 WBSOGOCKXCLARZ-BWOGODIVSA-N 473.576 6.425 50 40 JKGB COc1ccc2cc(/C(C)=N/NC(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)ccc2c1 12580067 INPZRQZGAIESOP-KCSSXMTESA-N 463.512 6.357 50 40 JKGB Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)c(C)c1 13174081 FSOQROVBFDMIKA-XMMPIXPASA-N 492.044 6.066 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)cc1 13786637 ZLEFVECFVKWGFE-HTXNQAPBSA-N 494.551 5.339 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccccc1 16349559 BIQKDRQLMNWRRD-NDENLUEZSA-N 477.358 5.891 50 40 JKGB CC(C)c1cc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cs1 20550120 ZCFFQUBPJRIIPC-LUOAPIJWSA-N 470.425 6.945 50 40 JKGB O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc2ccccc2c1 32116964 DCJIJSQMDLQOTH-MYYYXRDXSA-N 456.414 5.212 50 40 JKGB Cc1cc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)ccc1Cl 32581093 GUPKADNWMJUVPR-LGJNPRDNSA-N 457.313 5.050 50 40 JKGB Cc1ccc(-c2cc(C(=O)NNC(=O)CCCOc3ccc(Cl)cc3Cl)c3ccccc3n2)o1 32999876 KPWFTBCPIFYNAE-UHFFFAOYSA-N 498.366 5.730 50 40 JKGB Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(C(C)C)cc1 34377925 VMFYENXDBUUOQP-GTWSWNCMSA-N 465.597 5.604 50 40 JKGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(CSc2ccccc2)cc1 59473150 NPKVJMKGFJDAGG-ZVHZXABRSA-N 455.377 5.514 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(F)cc1 59921920 UJVLEPSUOOXJOA-IPPBACCNSA-N 460.427 5.586 50 40 JKGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OCC)c2)cc1 83301390 YJXXBPOMBLIOHA-LBYSXPAKSA-N 476.573 5.027 50 40 JKGB CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)c1 102686985 KTKFWZINODJDBZ-OQKWZONESA-N 476.605 7.392 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1ccccc1F 106108861 AWZWBVPAEHWNTE-STZFKDTASA-N 458.330 7.385 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(-c2ccccc2)cc1 108074699 DFCWEXFQAQNDJO-RHANQZHGSA-N 494.576 6.648 50 40 JKGB CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(-c2ccccc2)cc1 169840208 OXDCRRPMMHYQKU-YADHBBJMSA-N 471.670 6.394 50 40 JKGB C[Si](C)(CCCNC(=O)c1ccccc1)O[Si](C)(C)CCCNC(=O)c1ccccc1 195786407 MMIXSFPCYSSLFV-UHFFFAOYSA-N 456.735 5.053 50 40 JKGB Cc1c(/C=C(/C#N)c2ccc3ccccc3c2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 408549563 UTTMHWCLUVRGGZ-IWIPYMOSSA-N 467.399 8.522 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408553374 VPABOTOFRSYCKW-XDHOZWIPSA-N 467.352 6.474 50 40 JKGB CC[C@@H](C)n1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c2ccccc21 408566550 ALBBKAJTEBHVJW-NFXIUMSZSA-N 453.633 5.620 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1cccc(C)c1 408743181 FDDBFVZBVHUASC-STZFKDTASA-N 491.385 6.281 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br 408787961 HUQGOIPVSJEWNU-KPKJPENVSA-N 484.575 5.809 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CCSc3ccc(Cl)cc3)c3ccccc23)cc1 408789068 IWLVTKBCESZTIX-SILNSSARSA-N 472.013 6.941 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1cccc(C)c1 408797685 SMLYEOGGULHGDW-WSDLNYQXSA-N 460.961 6.399 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC 408799674 HKKVOUJWLDKPHT-OQLLNIDSSA-N 463.759 5.836 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)NCCc1ccccc1 408805885 MAGSVGFYRHDCTN-RCCKNPSSSA-N 474.391 6.262 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c(OC(C)C)c1 408826260 IXVVSMDWKBWQBA-KGENOOAVSA-N 476.960 6.260 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OCC 408827614 LMWPTWMLJNQNTM-CJLVFECKSA-N 488.971 6.428 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cc1ccccc1Cl 408873251 RMGHPHFXSQEGFK-YBFXNURJSA-N 470.878 6.504 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1Cc1ccccc1F 408873873 WNPUZPQZVQKSHD-FYJGNVAPSA-N 462.952 6.577 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OCc1ccccc1Cl 408892095 BBHBOPZONHCMQZ-GZTJUZNOSA-N 487.770 6.780 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1cccc(F)c1 408894375 HSIQVGGZAWDHDR-KGENOOAVSA-N 466.468 5.752 50 40 JKGB CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1C 408960561 MSTDSGGQEYBIAC-NDENLUEZSA-N 452.385 6.817 50 40 JKGB Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3c(Cl)cccc3Cl)cc2)S(C)(=O)=O)cc1 409027222 AGYNNEMDKVESFW-VULFUBBASA-N 490.412 5.032 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1cccc(Cl)c1 409043805 AOUZDXHJRHCDSP-GZTJUZNOSA-N 466.324 5.557 50 40 JKGB O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(Cl)cc1Cl 409050463 WBMNEUZCCGRIRU-KPKJPENVSA-N 489.742 5.340 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2cccc3ccccc23)c1 409053373 CDISHQOKPSAYPM-LPYMAVHISA-N 487.386 7.580 50 40 JKGB COc1cc(/C=C(\C#N)c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccccc1 409067027 ORPYEWSIAZCQJV-LDADJPATSA-N 470.344 5.290 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1Cl 409132859 KHECONSTYAARMO-XMMPIXPASA-N 498.410 5.701 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cn(Cc4ccc5ccccc5c4)c4ccccc34)cc2c1 409186301 ACKWHVSHXPUSNU-CAQPMQTCSA-N 487.559 6.752 50 40 JKGB O=C(/C=C/c1ccccc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl 409217686 FFINSQAESATUJS-CZDCLRIXSA-N 484.295 5.284 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(OCC)c1OCc1ccc(F)cc1 409238761 NSGOSENQXHQMIN-XOASYVKCSA-N 484.571 6.316 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc2ccccc2c1 409239919 OKUPYPNWZWVJJV-RWTUPJDWSA-N 496.994 6.865 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccccc1C#N 409244698 HLCOCDIWWCKWOF-ONUIUJJFSA-N 465.553 5.192 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1 409272542 ZSUAHYQAYDSDBQ-MOSHPQCFSA-N 489.959 5.529 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1OC(=O)c1cccs1 1088496 HOFAGYLVKCKHHH-DEOSSOPVSA-N 468.534 5.737 50 40 JKGB CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccco1)P(=O)(c1ccccc1)c1ccccc1 1735402 SQEMUUWZDNABOJ-AREMUKBSSA-N 474.453 5.363 50 40 JKGB N#C/C(=C\c1coc2c(Cl)cc(Cl)cc2c1=O)C(=O)Nc1cccc(C(F)(F)F)c1 2743859 FBHGTCOYFWNGCS-ONNFQVAWSA-N 453.203 5.664 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)c(C)c1 13898761 HKGLAOFLWYXKIA-CIAFOILYSA-N 460.917 5.780 50 40 JKGB C/C(=N\NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccc(Cl)cc1 20240683 BNYTZSWTGZSZLR-MWAVMZGNSA-N 460.021 5.949 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(Br)c1OCc1ccccc1 20927109 VQYUGPBYMKCCJO-DHRITJCHSA-N 473.754 5.454 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1C#N 33602138 JKVXZQWAAUTXBX-UKWGHVSLSA-N 490.313 5.881 50 40 JKGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C(/C)c3ccc4ccccc4c3)cc2)cc1 34848372 QCNQLPHHFUSMQS-USHMODERSA-N 487.581 5.193 50 40 JKGB CCCCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(OC(C)=O)cc3)cs2)cc1 40476987 QJJYRJWIKPPIPN-HKWRFOASSA-N 461.543 5.669 50 40 JKGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1OC 83314690 DCUITZVLSGNCOM-RHANQZHGSA-N 470.525 5.209 50 40 JKGB COc1ccc(/C=N\NC(=O)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1OC 100306130 AYYQENDFAGVTFN-ZMFRSBBQSA-N 459.329 5.354 50 40 JKGB Br[C@H]1CC23C=CC2(C[C@H](Br)[C@H](Br)C3)C[C@H]1Br 101044462 ZWHWSQOPWQCLCG-GEDKWGBFSA-N 477.860 5.171 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1 107880893 MPRDJKVYUWXXQN-WKULSOCRSA-N 488.927 5.543 50 40 JKGB CCOc1cc(C(=O)Cl)cc(I)c1OCc1ccc(Cl)cc1Cl 217712657 PHVMLEGFTNOQIX-UHFFFAOYSA-N 485.532 5.955 50 40 JKGB Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl)[C@H](C)CC(C)(C)N2C(C)C 223606283 NACAWTSUEPQTAQ-KLSKMWHSSA-N 470.444 7.348 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 408541718 HJMNUJSWEYTPHS-LSCVHKIXSA-N 488.754 6.997 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1nc2ccc(F)cc2[nH]1 408568053 RWVRMOQSFYZEJY-NHDPSOOVSA-N 498.355 7.261 50 40 JKGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 408615379 PQPXEWIHZSQWMK-MZJWZYIUSA-N 486.355 5.060 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408743114 DQYVBEAYFNCSIG-GRSHGNNSSA-N 477.904 5.690 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccccc1F)C(=O)Nc1cccc(Br)c1 408756541 ZTAYXTKVUOOFRP-PDGQHHTCSA-N 451.295 5.713 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2cccc3ccccc23)c(C)n1-c1ccc(Br)cc1 408767791 OIVPXKLCYROSGP-DICXZTSXSA-N 476.374 5.539 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc2ccccc2c1)C(=O)Nc1ccccc1 408788437 KBCYLHKVHQCSAT-HZHRSRAPSA-N 483.365 6.727 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 408797858 HCZVMCIZNONQJH-XDHOZWIPSA-N 477.904 5.690 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408798580 WAFMYTASTXJSAF-SRZZPIQSSA-N 490.943 5.788 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OC(C)C 408809667 IGILYBMJLGKIMO-OQLLNIDSSA-N 463.759 5.834 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(OCc2ccc(F)cc2)c1 408810890 NBNHNKIPAPWCEZ-YBFXNURJSA-N 450.897 5.921 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2cc(C)cc(C)c2)cc1 408841206 JTTGVIUDZGFKMQ-UHFFFAOYSA-N 483.678 5.516 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(F)cc3)c(C)c2)c(OC)c1 408845205 LNYJSCUCZLLLJY-YDZHTSKRSA-N 474.532 5.262 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCc1cccc2ccccc12 408885450 ADRHPGPENBGHLN-JVWAILMASA-N 455.470 5.100 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1F 408988473 QYSAMCCLONKISP-UDWIEESQSA-N 464.924 6.311 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 409042645 NYEQFAUBUKDAEB-UNOMPAQXSA-N 466.415 5.528 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)c2nc3ccccc3o2)cc1Br 409050448 VSOTVCHARHRPLX-MDWZMJQESA-N 460.125 5.982 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1OCc1ccccc1F 409077465 FGYAAIWGGSRTSF-KGENOOAVSA-N 458.489 5.393 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 409082338 SGPYYKXGZZLKNT-NTUHNPAUSA-N 496.266 6.543 50 40 JKGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 409133257 POPIJMFALQOONK-KKMKTNMSSA-N 493.843 6.609 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 409223322 FGMUVJMEJYZOGF-PDGQHHTCSA-N 490.441 6.162 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)n1 409237271 JDYKOQQNOPCUSW-NSKAYECMSA-N 493.391 5.361 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 409359782 BXNQRPHVFWXDSW-ZMOGYAJESA-N 468.307 5.009 50 40 JKGB Cc1cc(Cl)ccc1OCc1cc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)sc1C 2735825 AJYUHSCOHJVWCX-GBXCKJPGSA-N 475.017 6.191 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1F 9972572 TXUYZUCSKHTVCO-ATVHPVEESA-N 479.895 5.051 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccc([C@H](C)CC)cc2)ccc1OC(=O)c1ccc(F)cc1 10058877 UEFCVVLLZLYREA-ZXAKHJNPSA-N 492.547 5.486 50 40 JKGB C/C(=N\NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)c1cccc(Br)c1 15133360 XEUFZCFJXMLOLB-YZSQISJMSA-N 459.428 6.082 50 40 JKGB Cc1ccc(C(C)C)c(OCCn2cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c3ccccc32)c1 15931744 ADMCABBKMYDYGK-OQKWZONESA-N 481.571 6.837 50 40 JKGB N#CC1=C(N)O[C@@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1c(Cl)cccc1Cl 16488803 XAOMVATWJGHFGS-URLQWDBASA-N 453.251 5.182 50 40 JKGB C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 19948878 MIINTOQQPWYPQL-QUPMIFSKSA-N 491.657 5.337 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1cccs1 20028791 VFNYKDNMTBJDKP-NRFANRHFSA-N 486.018 5.199 50 40 JKGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1ccccc1Cl 40866663 QNNQGMPICWQSBE-MZJWZYIUSA-N 452.938 5.074 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccccc1C(=O)O 59336308 JVQOHUDEBGOHQA-WJDWOHSUSA-N 454.313 5.645 50 40 JKGB Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)cc1 101179199 ZOQLIHOLBIKRLS-AQTBWJFISA-N 477.571 5.192 50 40 JKGB CCCCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Br)cc1 105925671 KPRKKGMJJGCLBI-XYGWBWBKSA-N 465.819 6.606 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 209281662 VKUKHRCSSQNRRI-QLTNSANVSA-N 495.406 6.755 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1Cl 408538615 AMSDPGZFDXLGKD-FDVSRXAVSA-N 489.365 7.515 50 40 JKGB Cc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1 408581884 ZORHFCIHNMGAMM-RGVLZGJSSA-N 483.203 7.163 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1 408583417 UKDKXBSMBORUCZ-YBFXNURJSA-N 468.322 6.249 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(Cl)cc1Cl 408738489 ZNRSFWUBKGUMKY-KBKYJPHKSA-N 496.163 6.238 50 40 JKGB COc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OCc1ccccc1 408758716 PRDGBTOHOPDBLI-WQRHYEAKSA-N 453.325 6.127 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408790250 OIIPARBOSPMSKI-GZTJUZNOSA-N 468.296 6.026 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1I 408797007 QEBBAAWFBVSEMI-MDWZMJQESA-N 499.135 5.708 50 40 JKGB CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(OC)c(Cl)cc1OC 408829372 NSHKWRSYTHHWKQ-RIYZIHGNSA-N 479.758 5.454 50 40 JKGB Cc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)c1 408848323 VUZYQSCVEHMACW-UHFFFAOYSA-N 498.391 5.844 50 40 JKGB COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)c2)cc1 408888950 CZMWDVCEYUYWOA-SFQUDFHCSA-N 467.308 5.767 50 40 JKGB CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCC 408905589 ZOSJCGORZUNLIG-JJFYIABZSA-N 454.752 5.364 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)c([N+](=O)[O-])c1 408921844 CKXWSBDFRWRTKI-CJLVFECKSA-N 463.493 6.181 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c(C)n1-c1ccc(Br)cc1 408926645 XHGFRKNXRQBGAO-MHWRWJLKSA-N 489.200 6.709 50 40 JKGB CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)Nc4cccc(Cl)c4)o3)sc2c1 408994233 YJFCAMBESKPMMV-GXDHUFHOSA-N 481.986 6.638 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OCC)c1OCc1ccc(F)cc1 409067514 FBPJIZHVPIRAQL-PXLXIMEGSA-N 490.962 6.731 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 409069673 WWIWUFBCSGENOO-CIAFOILYSA-N 478.342 6.189 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1OCc1cccc(Cl)c1 409074768 VLXNPCDGELNVJI-FYJGNVAPSA-N 476.935 6.341 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 409079983 CQTLGTXJXHSPRN-XNTDXEJSSA-N 498.373 5.860 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1F)c1ccccc1 409250013 VTJJAYNTJGPTSD-OJSPLJLUSA-N 479.349 5.952 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409259367 ZBQKJNYRYHRVJO-MBTHVWNTSA-N 479.964 5.137 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(C)c1 409260115 LBMVGDWJIKGIQM-UDWIEESQSA-N 461.905 5.947 50 40 JKGB C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NN(c1ccccc1)c1ccccc1 409336551 PBNYVVMXXKJSPQ-SQJMNOBHSA-N 475.589 5.355 50 40 JKGB COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 409376981 DDPJDXOIOPGGGM-CPNJWEJPSA-N 475.932 5.220 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 935103 UDQFAGAQGXCZDF-YDYXIROLSA-N 475.520 5.338 50 40 JKGB O=C(N/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3)c1sc2ccccc2c1O 3173755 XZDVUTKIGIXGAN-YSURURNPSA-N 485.359 5.464 50 40 JKGB COc1cc(-c2cc(C(=O)N/N=C/c3ccc(C)s3)c3ccccc3n2)cc(OC)c1OC 3238589 NWXAWAVKRWXVSA-VULFUBBASA-N 461.543 5.061 50 40 JKGB O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)c1cc(-c2cccs2)nc2ccccc12 3303435 OQPAMTQFGMVTIK-TVKQRKNISA-N 488.572 5.644 50 40 JKGB S=C(SSC(=S)[C@@H]1CCC/C1=N/C1CCCCC1)[C@H]1CCC/C1=N\C1CCCCC1 5432689 HMXOLEOABAQJDG-BFLOUQNPSA-N 480.834 8.170 50 40 JKGB CCCCCCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(C)c(C)c2)cs1 9057800 CVCLCSPNFWTFJP-OQKWZONESA-N 459.615 7.141 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(Cl)cc1 9065260 ATWWTEIMMAZNSV-YUMHPJSZSA-N 496.423 5.874 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 9265272 UBGXWJHXGKDKAG-FABQOPTDSA-N 494.614 6.337 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c1OCc1ccc(Cl)cc1 15018560 RGZLNQBGRWHCMO-OKCVXOCRSA-N 484.939 6.591 50 40 JKGB O=C1N/C(=N\c2ccccc2Cl)S[C@@]1(Br)[C@@H](Br)c1ccccc1 16477252 XPMFDKJJRUWEEV-BBRMVZONSA-N 474.605 5.418 50 40 JKGB CC(C)c1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 20240657 KQEXXXKXDAXODF-NJZRLIGZSA-N 453.630 6.029 50 40 JKGB CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1 26779575 PMAJQYYDANNPTQ-FXBPSFAMSA-N 489.604 6.754 50 40 JKGB C/C(=N/NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)c1ccc2ccccc2c1 33636411 HFKJIPAZUCAWOA-YQYKVWLJSA-N 450.582 6.870 50 40 JKGB COc1cc([C@H]2C3=C(CC[C@@H](C)C3)C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1ccccc1 36611856 QPBMAFMQQDISBN-DWXRJYCRSA-N 450.542 5.258 50 40 JKGB CCc1ccc(-n2c(C)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1 38194648 ICJZWUZOAWQWAS-COEJQBHMSA-N 451.570 5.043 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1cccc(Cl)c1 59117129 ZKWFETBQXGWXSH-HMMYKYKNSA-N 452.897 6.258 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 59266432 OFTXYJVZSDFYKW-LICLKQGHSA-N 468.296 6.026 50 40 JKGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 59336182 KXLGKUHLKAMQGT-GHXNOFRVSA-N 484.564 5.967 50 40 JKGB CC(C)c1ccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccccc2)cc1 59382989 QZSMLPUYEDESBA-UHFFFAOYSA-N 455.624 5.222 50 40 JKGB Cc1ccc(C(C)C)c(OCCn2cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c3ccccc32)c1 111902754 JRXJAPYXAITYES-KZVLXBEFSA-N 471.601 5.354 50 40 JKGB CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Oc1ccc([N+](=O)[O-])cc1 220063663 MVEIXSDKRRSDPM-RUZDIDTESA-N 474.513 5.454 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 408553129 XQOCVMGKAVLYIB-QFEZKATASA-N 496.994 7.282 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccccc1F 408570542 WNXXKGAKDWNGFU-PXNMLYILSA-N 496.311 6.255 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1ccc(F)cc1 408581354 WIKHYIVZWWXHLR-YBFXNURJSA-N 486.768 7.283 50 40 JKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 408599650 YCMQFKDETFCIHP-RWPZCVJISA-N 455.385 6.634 50 40 JKGB Cc1cc(/C=C(/C#N)Cn2cnc3ccccc32)c(C)n1-c1ccccc1I 408691595 HGLBCWATIUNNIM-PDGQHHTCSA-N 478.337 5.656 50 40 JKGB N#C/C(=C/c1cc(Cl)c(O)c(Br)c1)C(=O)Nc1ccc(Br)cc1 408745900 ASPLXWYTLYWUPV-YHYXMXQVSA-N 456.521 5.116 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1 408749502 PRORCJYWRWRXQY-AFUMVMLFSA-N 453.336 5.109 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 408796161 OGVSKHJUTFFEJV-GIJQJNRQSA-N 482.323 6.335 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 408796471 OIIHSPFZTAQQON-RCCKNPSSSA-N 483.955 6.065 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c1C 408810115 SYNFLMRJACXVIT-XQNSMLJCSA-N 477.520 6.490 50 40 JKGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 408876935 RDLBMYBDDYVACA-MXAYSNPKSA-N 473.754 5.454 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1ccc(Cl)cc1Cl 408880453 JEKSDGKEEPUJDT-AFPJDJCSSA-N 483.105 5.688 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1c(Cl)cccc1Cl 408889428 GRWLHLUMQCTYHF-LUOAPIJWSA-N 498.193 6.652 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OC(C)C 408963677 ADNLTTMHMUWLQZ-YSURURNPSA-N 459.262 5.028 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc3ccccc3c2)c1C)c1ccccc1 408976264 AFRUTXTZKDRGIH-WSFYNJOLSA-N 482.584 5.575 50 40 JKGB CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C 409050093 YTHITUOQDUJZCX-OVCLIPMQSA-N 478.184 5.773 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1cccc2ccccc12 409105044 HZRUWBBSOATOFF-MUUNZHRXSA-N 478.504 5.374 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)ccc1OCc1ccc(Cl)cc1Cl 409385361 HYVWUFVSLKQIMI-GRSHGNNSSA-N 470.356 5.677 50 40 JKGB N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2143388 MXMHIQFIZWLBKE-VWLOTQADSA-N 473.359 6.944 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)ccc1O 2413681 IKPVMBLWTHQQQW-MKMNVTDBSA-N 460.342 5.301 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 9204319 BYXJRBJKIQHTIG-AFUMVMLFSA-N 457.755 5.374 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccccc1 9323088 AVJZXHFCYXVUMP-XODNFHPESA-N 475.854 5.140 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCc1ccccc1 11853084 ZKYSLBZHJUCERJ-ZVHZXABRSA-N 452.579 7.079 50 40 JKGB CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1 12586098 NXOPABOZXQVYIW-KPKJPENVSA-N 495.127 5.064 50 40 JKGB C[C@H]1CCc2c(sc3nc(/C(C#N)=C/c4ccc(OCc5ccccc5)cc4)[nH]c(=O)c23)C1 12659620 QKIMKIKPQQVEQP-TYSUYXETSA-N 453.567 5.753 50 40 JKGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 28214551 PTSWXZKBFREOLB-UBXTYJAUSA-N 482.005 5.130 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@H](c3ccc(F)cc3)Nc3c(F)cccc3[C@@H]2[C@@H]1Cl 33713813 VMVWNRGZUWPWQV-XZCYHHARSA-N 472.944 6.912 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c1 59201243 KDKYRAFQMBZVCM-DEDYPNTBSA-N 474.391 7.159 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OC 59297138 IEAUMZFOCHEUHZ-GZTJUZNOSA-N 451.320 5.555 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cccc(Cl)c1Cl 59336326 YNRDMULHHIRORA-GDNBJRDFSA-N 479.194 7.253 50 40 JKGB Clc1ccc(-c2noc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1 95676973 QMMLPHAHVSZJLS-UHFFFAOYSA-N 455.905 5.884 50 40 JKGB O=C(c1ccc(OC(F)F)cc1)[C@@H](Br)[C@@H](Br)c1ccc([N+](=O)[O-])cc1 98042969 MGBFLOWZOCIWBB-KBPBESRZSA-N 479.071 5.279 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 108239943 NYQWHUNVRATOQF-MUFRIFMGSA-N 478.508 5.524 50 40 JKGB C[C@H]([C@@H]1CCC[C@@H]1P(C1CCCCC1)C1CCCCC1)P(c1ccccc1)c1ccccc1 137233702 YCLRKHVADAQIPR-IUNZSJPTSA-N 478.641 8.824 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2c(OCc3cccc(C#N)c3)ccc3ccccc23)cc1 216067276 UBIMJAKOSYLMMZ-ZCTHSVRISA-N 463.537 5.843 50 40 JKGB Cc1sc([C@@H](N)[C@H]2CCCCN2C(=O)OC(C)(C)C)nc1CO[Si](C)(C)C(C)(C)C 217390205 JFBUFFPBGWMVQM-MSOLQXFVSA-N 455.741 5.763 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(I)c1OCC 408530542 MCVBPRXRLDLCJB-DHDCSXOGSA-N 498.158 5.915 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N2C(=N1)SC(C#N)=C2N 408608281 VSPWQQZUAQADRQ-JOCHJYFZSA-N 487.972 5.624 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccc(C)cc3)n2)cc1 408727226 VETAMUGQWQGMQE-NDZAJKAJSA-N 460.537 5.773 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)cc1 408746641 USOISVVAGXMWPI-UYRXBGFRSA-N 464.363 5.719 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408793657 FZAPMDKQMUNMAN-KGENOOAVSA-N 490.943 5.650 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1cccc(C)c1 408807554 DGJBTFLTLQVLET-NDENLUEZSA-N 464.924 6.311 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1ccccc1F 408817424 XRHVBFQHAXMTGZ-MFOYZWKCSA-N 485.298 5.955 50 40 JKGB Cc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)c1 408838788 ILOGKOVXMSOIQM-UHFFFAOYSA-N 463.946 5.190 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)c([N+](=O)[O-])c1 408894649 JZXTXDYJYYBHRP-SFQUDFHCSA-N 482.323 6.335 50 40 JKGB Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 408897992 JQRZWTOWLLLDDC-RGVLZGJSSA-N 484.905 7.100 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(Br)c1OCc1ccccc1 408952902 KXDQODNUQIPCJK-YSMPRRRNSA-N 467.363 5.499 50 40 JKGB CC1=CC(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1 408984175 PXHQSRMEWCBZOH-KDNBERQASA-N 495.022 7.676 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408984387 QJCQCSNKLMFRRG-HMAPJEAMSA-N 487.943 6.410 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c(C)c1 409079762 MFMNDJVATOEILP-LDADJPATSA-N 458.430 5.458 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1 409099743 SLGPIEHSOKHOFY-CFRMEGHHSA-N 470.044 6.343 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3c(OCc4ccccc4C#N)ccc4ccccc34)cc2c1 409186826 IIKNACOYTXYPNO-CAQPMQTCSA-N 489.531 6.199 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(C)cc1 409189578 QSJAMFGWGXTTAL-LGJNPRDNSA-N 487.781 5.762 50 40 JKGB N#C[C@H](C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1 409204667 CLCNKRKCEUAOHU-OFGWUUMASA-N 461.352 5.754 50 40 JKGB CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(OC)cc3)o2)ccc1Cl 409210917 LQHAGNKRVLOFJT-FOWTUZBSSA-N 450.878 5.331 50 40 JKGB CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2C)=C(C#N)[C@H]1c1ccccc1Cl 1097694 ZVZYYYSVGCTBBI-XMMPIXPASA-N 466.006 5.614 50 40 JKGB N#CC1=C(n2cccc2)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@H]1c1cccnc1 1432002 NWLURZHAFPMZLC-QHCPKHFHSA-N 494.904 6.559 50 40 JKGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1cccs1 1831789 VBLHJTPRPPTLOH-SRZZPIQSSA-N 456.643 5.288 50 40 JKGB CCCCCCOc1ccc(C(=O)N/N=C/c2cccc(I)c2)cc1 3167612 IAGNYMZATWIWKW-PXLXIMEGSA-N 450.320 5.014 50 40 JKGB C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C(/CC)c1ccccc1 8397877 WBXNMIBLHUAUEX-BZIHZDCZSA-N 483.041 5.141 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc21 9187432 MPKLUBCCGBUBQR-LDADJPATSA-N 476.496 5.437 50 40 JKGB O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1 9261963 JEDGWQIRLLSXMW-SSDVNMTOSA-N 465.756 5.376 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Cl)c1OCc1ccccc1F 9296172 SIKFKHXUTXZCPG-QHCPKHFHSA-N 466.896 5.381 50 40 JKGB Cc1cc(C(=O)NNC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c(C)n1-c1ccccc1 15835351 YYAGRLBBTJVDRW-UHFFFAOYSA-N 492.988 5.136 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)cc1Cl 16712651 SMRCQPATWZBORV-UYRXBGFRSA-N 472.932 5.408 50 40 JKGB CCCC[C@H](Br)C(=O)Nc1nc2ccc(OCc3ccc(Cl)cc3)cc2s1 20133048 MGMSHEAMQIBSLG-INIZCTEOSA-N 467.816 6.421 50 40 JKGB Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)Sc3ccccc3)c2C)c1 20243736 RWBBTLIMUKFWSD-VBYICHLGSA-N 470.436 5.796 50 40 JKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 30821991 OMYDHARTIRHETP-KRDLZBRLSA-N 494.975 5.610 50 40 JKGB CCOc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc(/C=N\NC(=O)c3ccncc3)cc2)cc1 34864514 VJLGECCEYYZFGA-XKLDMDDMSA-N 489.579 5.600 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccccc1 34876034 GPSGRYBTTHEMDH-WQRHYEAKSA-N 481.321 5.721 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2Br)c1 35395060 MGDKGLDJGGOXGB-LDADJPATSA-N 487.357 5.716 50 40 JKGB C[C@@H](NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccccc1 58882992 YWBLNNIIFKLGOE-BIOVLPJHSA-N 470.356 5.014 50 40 JKGB CCCCCCCCOc1cc(Br)c(OCCBr)cc1Br 102922887 VUYHJLVSULKVES-UHFFFAOYSA-N 487.070 6.725 50 40 JKGB CCOc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC 408543404 OSCYSHIZKNBSAK-KGENOOAVSA-N 496.567 5.669 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408570246 SZUQLSSPXASIPD-IUXPMGMMSA-N 492.894 6.305 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 408579057 CUPFNZGAZOVKKB-KEBDBYFISA-N 481.379 6.701 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1OC 408579192 DLUJULBZYJYEFQ-UDWIEESQSA-N 450.332 6.109 50 40 JKGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl 408612952 XQLOBKKXKJXSEP-KKMKTNMSSA-N 490.774 5.623 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1cccc2ccccc12 408723464 VKGBMJKXAQFSBP-KEJIIQJBSA-N 456.586 6.094 50 40 JKGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 408724218 ICVNNCQMNUGXPK-MTDXEUNCSA-N 461.481 5.365 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 408745244 QNWPHSQUDZYHNE-WQRHYEAKSA-N 485.342 6.656 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)OC)ccc3Cl)c2C)c1 408746299 RPLMCFPADMFOGC-NDENLUEZSA-N 477.948 5.479 50 40 JKGB CC1=CC(/C=C(/C#N)C(=O)Nc2ccccc2C)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1 408746374 YRFLUPIMWPDTFJ-FWESEHMYSA-N 460.577 7.023 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(N(C)C)cc1 408759639 ILSMSEZOGZVXML-UYRXBGFRSA-N 463.379 5.468 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NC(C)C)cc(Br)c1OCc1cccc2ccccc12 408771247 DVZAYMCUTDSCRY-RGVLZGJSSA-N 479.374 5.621 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(I)c1)C(=O)Nc1ccc(O)cc1 408788640 DZVBPEOMZGVXNO-LDADJPATSA-N 496.304 5.121 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1Cl 408815463 HTJGUWBINBQYDG-BHGWPJFGSA-N 491.287 5.179 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)Nc1ccccc1F 408819786 TUFPKGSOHFECFD-HMMYKYKNSA-N 456.904 6.757 50 40 JKGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 408829426 JOGIQGYWZRCDHT-QVWXPNIWSA-N 473.598 5.012 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4OCC#N)cc3)cs2)cc1 408842913 LUUNRQVFAZLJPH-LQKURTRISA-N 467.554 5.528 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(Cl)c(Cl)c1 408888672 YSFRJWDTIODDOU-OKCVXOCRSA-N 493.390 6.888 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1cccc2ccccc12 408892802 COACWJHCYAFPFC-LTGZKZEYSA-N 496.950 6.657 50 40 JKGB COCc1cc(C)nc(SCC(=O)N/N=C\c2c3ccccc3c(C)c3ccccc23)c1C#N 408995925 FTGLIDWDVCATCK-NUJZUDFISA-N 468.582 5.265 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccccc3)o2)c(OC)c1 408996334 HPCADJAQFYYJDI-YBEGLDIGSA-N 499.386 5.434 50 40 JKGB Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1cccc(I)c1 408999684 RYTCODXBAKCIGZ-YSMPRRRNSA-N 493.348 5.616 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)c([N+](=O)[O-])c1 409039565 WWNQLDTWHBSLCT-STBIYBPSSA-N 476.492 6.142 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1ccc(Cl)cc1 409195466 UZIACPONSMSIQK-IPPBACCNSA-N 483.782 7.143 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409316580 YTJMXERBIKLZRI-UYRXBGFRSA-N 490.437 7.632 50 40 JKGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 409346200 LIGSZOYTNFBMMA-KKMKTNMSSA-N 490.760 5.383 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409390257 DTRFVWHMWNZIDH-JAIQZWGSSA-N 464.924 6.268 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)c1cccc(F)c1 409393576 QSZHLBVUJKFRQD-GRSHGNNSSA-N 452.279 5.930 50 40 JKGB Cc1cc(SCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c(C)cc1Br 3212259 OGKSFBZQTVUBBU-MZJWZYIUSA-N 477.427 6.615 50 40 JKGB O=C(c1ccccc1O)[C@@H](Br)[C@@H](Br)c1ccc(Br)cc1 4277153 USHFJCAKMGBWRZ-KBPBESRZSA-N 462.963 5.237 50 40 JKGB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccccc2)N1 6444307 RHDFNGPFCREOPQ-VWLOTQADSA-N 469.566 5.539 50 40 JKGB O=C(CCCCCCC(=O)NN=C1C2CC3CC(C2)CC1C3)NN=C1C2CC3CC(C2)CC1C3 8398513 MDJDGXIEHQAZSO-UHFFFAOYSA-N 466.670 5.184 50 40 JKGB O=C(/C=C/c1cc(C(F)(F)F)ccc1Cl)NNC(=O)c1cc(-c2ccccn2)nc2ccccc12 13101697 XLKUZJJRIKCMPN-DHZHZOJOSA-N 496.876 5.443 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)cc1 59245267 YTJPJIPLCYLCHY-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CCCCC3)c2C)sc2c1CCCC2 100278352 VUOHSPNYBJDVHE-RGEXLXHISA-N 465.619 5.177 50 40 JKGB COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1 108001260 WXSVMXFPEIVBHH-XDHOZWIPSA-N 464.999 7.194 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1OC 408579358 GDUDNRXZQJAFHZ-KEBDBYFISA-N 454.353 6.962 50 40 JKGB N#C/C(=C\c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)C(=O)Nc1ccc2ccccc2c1 408753821 KMOKCQHMJFAOIL-FYJGNVAPSA-N 499.504 5.061 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 408762147 JJFHGJFIZFHSLV-RCCKNPSSSA-N 473.359 7.271 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 408779479 FLJSRYMKOHQQOG-LQKURTRISA-N 489.417 6.028 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1c(C)cc(C)cc1C 408805105 DSVFMAGWAPYMNU-YDZHTSKRSA-N 489.015 7.097 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1F 408817984 OJYIJRKVUGNAIN-BOPFTXTBSA-N 496.292 5.621 50 40 JKGB O=C(N/N=C/c1ccccc1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 408846008 QGLSSSVWJUKQKU-LGJNPRDNSA-N 468.365 6.224 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(CSc2ccccc2)cc1 408860721 COGRTRUXLSQEOC-UXHLAJHPSA-N 487.024 6.975 50 40 JKGB CC(C)(C)c1ccc(/C=N/NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 408861273 BGGNBAINFOUIQQ-OPEKNORGSA-N 493.416 5.495 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c(C)n1-c1cc(Cl)cc(Cl)c1 408868044 LEDOQHIUWSICLZ-OPEKNORGSA-N 463.752 5.143 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Br)c1OCC 408898770 XKNGQEDGFJBIJQ-OQLLNIDSSA-N 474.311 5.009 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1cccc(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12 409031412 AOCRJOZXXJNSHH-BIZUNTBRSA-N 491.978 6.898 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1OCc1ccc(F)cc1 409070410 XITKLCHMUBXQCL-PCLIKHOPSA-N 484.571 6.694 50 40 JKGB N#C/C(=C\c1cn(CCOc2ccccc2Cl)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 409206787 LJUVLLQNPVDDHJ-XSFVSMFZSA-N 499.954 5.326 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OC(C)C 409394162 WQSKOHOEBGSFKI-PXNMLYILSA-N 451.279 5.680 50 40 JKGB CO[C@@H](c1ccc(OCc2ccccc2)cc1)[C@@H](Br)C(=O)c1ccc(Cl)cc1Cl 1572592 SQMFFXDPTHHVAD-GMAHTHKFSA-N 494.212 6.906 50 40 JKGB O=C(ON=C1c2ccccc2[C@H](Br)[C@@H](Br)c2ccccc21)c1ccccc1 1854865 SGJHKIINOHKVDO-PMACEKPBSA-N 485.175 6.182 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 2805906 WPUDWUOTPDDMNH-XDHOZWIPSA-N 460.364 6.851 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc(C)c1C 9404102 OMHQTJMHEVKFQG-WJDWOHSUSA-N 488.487 6.366 50 40 JKGB Cc1ccc([C@H]2C(/C=N/NC(=O)c3ccc([N+](=O)[O-])o3)=C(c3cccs3)Oc3ccccc32)cc1 12436456 ODNHHTAAZORKBW-CYUILNSLSA-N 485.521 5.909 50 40 JKGB CC1=CC(C)(C)N(C(=O)CCl)c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 12564555 DWLBBYLMEGYRFK-UHFFFAOYSA-N 492.062 7.837 50 40 JKGB O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1ccc(OC(F)F)cc1 13075770 QMLWNBXHMNQSRK-AMVVHIIESA-N 492.400 5.531 50 40 JKGB Cc1c(/C=N\NC(=O)[C@H]2COc3ccc(C(C)(C)C)cc3O2)c2ccccc2n1Cc1ccccc1 13533303 RPOOVOFKNAOZCK-NPIWLJDASA-N 481.596 5.586 50 40 JKGB Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=C2CCCC2)cc1)S(=O)(=O)c1ccccc1 19956887 CJPKPHNNKRFIGS-UHFFFAOYSA-N 496.032 5.704 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 28216515 BALPXMVWXSCIDE-ZXGJNYTGSA-N 480.848 6.685 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1 32116840 KLZHIQUXPCWLAU-PDGQHHTCSA-N 463.946 6.562 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(Cl)cc1Cl 33469609 CCFOICHJTZPGNP-OPEKNORGSA-N 487.368 6.288 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1cccc(F)c1 35104093 ZZBJCKNJFSKTMI-WQRHYEAKSA-N 470.313 6.769 50 40 JKGB Cc1cccc2c(-c3ccccc3)c(-c3ccccc3)n(CCC(=O)N/N=C/c3ccccc3O)c12 39983664 KROAACRQXHONLQ-RUMWWMSVSA-N 473.576 6.530 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 59432956 BBBTXXFKMCACMG-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 59473668 WVMICBLVYWSRBX-HEOQCTJZSA-N 459.398 6.203 50 40 JKGB O=C(N/N=C\c1c[nH]c2ccccc12)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 96476959 MJZGAMGXRORBCL-VQNDASPWSA-N 480.571 7.057 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C)N=C3CCCC(O)=C32)ccc1O 104125146 JRVYRUMOAKKCSN-XMMPIXPASA-N 475.570 5.351 50 40 JKGB COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O[Si](C)(C)C(C)(C)C)c(OC)c2)ccc1O 206560952 KPRYTYUNXLXTGY-QHKWOANTSA-N 482.649 6.048 50 40 JKGB in-vitro COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccc(Cl)cc1Cl 408549769 YSHDEISRKTXNKK-FMCGGJTJSA-N 460.360 7.798 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 408587633 SPSFQWNCDCVZJA-ODLFYWEKSA-N 458.772 7.689 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(I)cc2)c2ccccc12)c1cccc(Cl)c1 408598853 KLZRNISDAMLOBA-XDHOZWIPSA-N 494.763 7.012 50 40 JKGB CC(C)COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1Br 408601427 JTIVSCCRPSXSMQ-UFFVCSGVSA-N 454.162 5.010 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)N1CCCCC1 408604437 JDJGGPQGIHVAQW-KGENOOAVSA-N 458.562 5.034 50 40 JKGB O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 408730335 FTDJQMCFEOYMEX-YQYKVWLJSA-N 486.531 6.483 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)ccc1OCc1ccccc1 408739864 GHGIDBHJKOQNRK-OCSSWDANSA-N 487.987 6.099 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2c(C)cc(C)cc2C)cc1 408801252 UICBXRRZQMYPGG-FYJGNVAPSA-N 460.961 6.399 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c(C)c1 408803395 OIXFCIOAPXIUPP-XQNSMLJCSA-N 477.520 6.490 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1c(C)cc(C)cc1C 408805574 GVOYRCVJISVURS-XZCUBSEASA-N 460.618 6.191 50 40 JKGB O=C(N/N=C/c1ccccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 408843520 LWIJSTOWAYOQMY-LQKURTRISA-N 487.899 5.168 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)ccc1Br 408850919 GIRSKHHJUGXVAR-KSEXSDGBSA-N 456.296 5.180 50 40 JKGB Cc1cccc(NC(=O)N/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 408853771 ROVPTSZIGRWRCR-JJFYIABZSA-N 464.772 6.311 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1Br)C(=O)Nc1ccc(F)cc1 408899440 PFKFOOOICCOHGL-QGOAFFKASA-N 451.295 5.713 50 40 JKGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1)S(C)(=O)=O 409129367 GFZOTFPBENWOKD-VULFUBBASA-N 490.412 5.032 50 40 JKGB Cc1c(/C=N/NC(=O)CSc2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1F 409213164 OVVWHQWSKROFLC-CCVNUDIWSA-N 465.981 6.033 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1 409257331 SCXDGICLZISRPA-VYYCAZPPSA-N 494.389 5.156 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1 409264358 DZJHLBIXRVQXJF-PDGQHHTCSA-N 480.351 5.865 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1OC 409311173 YLKOFAFNNABZBQ-VYYCAZPPSA-N 473.356 5.744 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)cc2)ccc1OC 409325051 WUINHLGQZNEJCB-MIXAMLLLSA-N 454.526 5.590 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1OC 939463 DIFLKRNUAWDZID-CXUHLZMHSA-N 484.375 5.059 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2797526 DUQXJTYVXDAFEZ-LDADJPATSA-N 479.889 6.907 50 40 JKGB CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc(CC)cc3)cs2)c(C(=O)OCC)c1C 9452351 MDAHZTLTKKEBFL-AQTBWJFISA-N 495.626 6.072 50 40 JKGB CCn1c(SCC(=O)N/N=C(\C)c2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Cl)cc1 12465694 MACLBRGLXRBLFK-WYMPLXKRSA-N 482.824 5.558 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1ccc(C)cc1 12586128 ICWQZPUIJGZARM-UDWIEESQSA-N 473.485 5.132 50 40 JKGB Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c(C)c1 13892808 JPGXUEPGEFZLBB-LPYMAVHISA-N 495.406 6.291 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccccc2)cc(Br)c1OCc1ccccc1 14134907 KOINDECNXGDICP-WGOQTCKBSA-N 467.363 5.120 50 40 JKGB CN(c1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1)S(=O)(=O)c1ccccc1 20059324 DLYFYYNBLJIGRM-TWKHWXDSSA-N 493.588 5.582 50 40 JKGB O=C(NN=C1CCCCC1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 20059460 KRJUAASYRCRYIU-UHFFFAOYSA-N 461.587 5.132 50 40 JKGB Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@H](C)Sc3ccccc3)c2C)c1 20243749 BFCKKBULBIOUDN-FOGHPNEFSA-N 484.463 6.104 50 40 JKGB O=C1c2ccccc2O[C@H](c2ccccc2)[C@]1(Br)[C@@H](Br)c1ccccc1 33374163 ONSKQBKXYIPURM-NNWRFLSQSA-N 472.176 6.273 50 40 JKGB C[n+]1ccc(Nc2ccc(Oc3ccc(N(CCCl)CCCl)cc3)cc2)c2ccccc21 55840243 HNLFNGQEMHFSLC-UHFFFAOYSA-O 467.420 6.484 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 58884711 JOJHRYRIACPAHZ-VUTHCHCSSA-N 465.509 5.147 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSCc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 59473328 HAEZPRQJQXAVRQ-RWPZCVJISA-N 499.032 5.710 50 40 JKGB C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1C 96669634 CNRBBQFYHKVAIY-STZFKDTASA-N 457.555 6.449 50 40 JKGB O=C(c1ccccc1)c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 102136769 ZTQHANVFARRFRP-UHFFFAOYSA-N 457.513 6.727 50 40 JKGB CC[C@H](/C=C\[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 123333063 FOQAJGFTDYXPDS-XFVWFZGRSA-N 475.157 9.184 50 40 JKGB COc1cccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1 138299491 DHCWYDFFKUZTPP-UVHMKAGCSA-N 452.341 5.769 50 40 JKGB C[C@H](C[C@H]1CC(=O)c2c3c(c4ccccc4c2O1)O[C@@H]1CC(=O)O[C@H]31)O[Si](C)(C)C(C)(C)C 195752317 BNJSPQNGLIXZGN-FZGANJODSA-N 468.622 5.723 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1nc2ccc(F)cc2[nH]1 408568325 SPUQDWIASYAMRP-SXGWCWSVSA-N 466.285 6.247 50 40 JKGB CCc1ccc(N2C[C@@H](C(=O)NNc3ccccc3OCc3ccc(Cl)cc3Cl)CC2=O)cc1 408609947 SOXQBLQQKUWXLF-IBGZPJMESA-N 498.410 5.631 50 40 JKGB COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3)n2)cc1 408726615 SBHCOEULQNAITI-NDZAJKAJSA-N 474.520 5.243 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408740999 GHJYSGXZPWVVPV-MFOYZWKCSA-N 487.770 6.780 50 40 JKGB COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 408751579 ZYAZTVWVHQYXPG-AURYFIRGSA-N 483.637 6.154 50 40 JKGB CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 408787220 VBVLAYJPKJGGNW-CHHVJCJISA-N 468.178 5.766 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc3ccccc23)cc1 408799213 YMSTXEUURLCSJK-JJIBRWJFSA-N 462.505 5.751 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Cl)c1 408799467 ZFAKGYFFJSTIKB-SRZZPIQSSA-N 465.380 7.043 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1 408810412 KJZCACYSMBAKNU-STZFKDTASA-N 454.599 6.014 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)c1 408828437 DZDJOAUFDOFLRV-ITYLOYPMSA-N 491.591 6.618 50 40 JKGB O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 408839054 MEJQLEJYGRARAF-NYCKPUFASA-N 469.544 6.409 50 40 JKGB COc1cc(C)c(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)cc1C(C)C 408851135 IWSFYRGSLFQWRA-LSFURLLWSA-N 484.188 5.122 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(C)c1OCc1ccc(Cl)cc1Cl 408857115 NBBBWPMLHVZBSD-YBFXNURJSA-N 469.343 6.874 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OCc2ccccc2Br)c1 408886180 IRSKBGWMMYWVLX-LDADJPATSA-N 481.321 5.721 50 40 JKGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2OC)c1 408985862 NSDMZTWVAQWWCE-DEDYPNTBSA-N 458.514 5.146 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OC(C)C 409040060 XOBGZUWLWHMUIX-OCSSWDANSA-N 487.987 6.505 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Sc3nccc(C)n3)o2)cc1 409273093 PQZITRKEMOKMHD-NTEUORMPSA-N 455.337 5.146 50 40 JKGB CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(Cl)c3)=C2C#N)cc1 409335826 YTCIUQZLXPATAC-QGZVFWFLSA-N 458.008 5.081 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)c(Cl)c1 664539 QDJMUJPNCUXYNH-QHCPKHFHSA-N 499.394 6.032 50 40 JKGB Cc1cc(OCCn2cc(/C=C(\C#N)C(=O)NC3CCCCC3)c3ccccc32)ccc1Cl 1252812 FEEZTTBUJAGFFQ-CAPFRKAQSA-N 461.993 6.038 50 40 JKGB CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1ccc(I)cc1 3177517 CWPYKNJNPBUOIW-UHFFFAOYSA-N 481.362 6.506 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 3232211 NUMOSKWGVNDRRP-MFOYZWKCSA-N 457.744 6.771 50 40 JKGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2sc(N3CCCCC3)nc2-c2cccs2)c1 3298965 CVEHMSRHVJDABH-CVKSISIWSA-N 482.675 5.823 50 40 JKGB CC(/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)=C\c1ccco1 5317862 FTGMWYLDROKNCQ-PGOKMECLSA-N 464.978 5.629 50 40 JKGB Cc1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 8454789 UHBSTFSCOKJDGJ-FMSSBYAVSA-N 480.224 5.184 50 40 JKGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 8843121 HKJPJOLWBACHPI-LGJNPRDNSA-N 459.398 5.956 50 40 JKGB CC[C@@H](C)c1ccccc1OCCn1c(C)c(/C=N/NC(=O)c2ccncc2)c2ccccc21 8916950 XUVGOPNAISJYQJ-PAYBXDNHSA-N 454.574 5.701 50 40 JKGB CCCCc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 9075870 SSSLKBGSWXQEDG-DGHLUIFDSA-N 495.648 6.403 50 40 JKGB N#C/C(=C\c1c2ccccc2cc2ccccc12)c1nnc(N2CCOCC2)n1-c1ccccc1 9090856 DRRCEOLNFKSLAV-FCDQGJHFSA-N 457.537 5.474 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccccc1 9288139 RSHXXRSITUGQTO-MFKUBSTISA-N 453.336 5.191 50 40 JKGB Cc1cc(C(=O)/C(C#N)=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)c(C)n1-c1cccc(C(F)(F)F)c1 12558921 SLXDLBGLQXGHFM-XUTLUUPISA-N 480.402 5.133 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc(O)cc1 13940946 FKBDOUBLLMVAAY-BUVRLJJBSA-N 480.640 5.322 50 40 JKGB COc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1OC 15357214 DIFLKRNUAWDZID-SXGWCWSVSA-N 484.375 5.059 50 40 JKGB CC1=C(C#N)[C@@H](c2cc3c(cc2Br)OCO3)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 19830869 OWXPKWRWIKFOSM-QKFKETGDSA-N 497.776 5.716 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1Cl 20195155 YMBQXSVDBNLHRD-CCVNUDIWSA-N 471.384 5.891 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cc(Cl)ccc1Cl 28216148 FSLNPJHZNIRVMJ-OPEKNORGSA-N 491.400 5.693 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117469 RUVVQOPGEJMMKN-LICLKQGHSA-N 457.744 6.771 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccc(Br)c1 59447426 MBSOTJVIKJRQHQ-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB O=C1c2ccccc2C(=O)N1CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 84619034 ZBZWQPDBFWXHJV-UHFFFAOYSA-N 464.525 5.057 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)N=C3CC(C)(C)CC(O)=C32)cc1 102531717 BSSJSJOISFEAOE-DEOSSOPVSA-N 491.588 6.112 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(F)cc1 107929768 HHJZXTGBCDXFSA-PDGQHHTCSA-N 463.896 5.351 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 207049700 BNCRPPMYQKJJPO-JAIQZWGSSA-N 497.378 5.813 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccc(F)cc1 408590652 QCQJJZFGMJXFRN-XODNFHPESA-N 454.332 6.208 50 40 JKGB Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CCCCC3)c2C)ccc1I 408781547 BLOKWDBRBCXAQK-UYRXBGFRSA-N 487.385 5.363 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1cccc(C)c1 408798642 WJDDLVNRNUAAQC-LPYMAVHISA-N 460.961 6.480 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 408809466 GWZUPAKHQHDPIK-BKUYFWCQSA-N 487.487 5.596 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1cccc([N+](=O)[O-])c1 408815003 QZLOLIADCJMAPL-YSMPRRRNSA-N 459.458 5.083 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 408851347 YALIQFDSMVGHBT-MFOYZWKCSA-N 468.340 5.953 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408857173 LFBDHJWAGPOJRH-KVSWJAHQSA-N 491.802 6.372 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(OC)c2)cc1 408874261 ZPKDRAZQWSTFHP-HYARGMPZSA-N 475.386 6.157 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)cc2Cl)c1 408880394 HPFUZWRVFXWANL-CIAFOILYSA-N 465.380 7.043 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 408893571 GYRDYLJMEBQCTG-SFQUDFHCSA-N 492.285 5.122 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccccc1C 408923565 JOAXAVABUCCENZ-OCSSWDANSA-N 472.972 6.543 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c1C 408985456 WWVYSECUJMUYPQ-WQRHYEAKSA-N 454.357 6.264 50 40 JKGB Cc1c(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)c2ccccc2n1Cc1ccccc1Cl 409044321 BVFHAUAZUJITIM-LGJNPRDNSA-N 462.893 5.029 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 409063613 CXZFYBWSOHKNCF-LFVJCYFKSA-N 497.551 6.155 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1OCc1cccc(F)c1 409064729 DVHBXNIJUIWWBL-OEAKJJBVSA-N 456.517 5.996 50 40 JKGB N#C/C(=C\c1cn(CC(=O)NCc2ccco2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 883585 XFMUQEDRCNIHGF-MHWRWJLKSA-N 493.350 5.403 50 40 JKGB Cc1ccc(CSc2nnc(SCC(=O)N/N=C/C(=S)Nc3ccc(C)cc3)s2)cc1 1814356 VBNFHVANRGTHSY-SSDVNMTOSA-N 487.701 5.081 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc23)ccc1O 2089785 SVARDTVJJPCTFV-LQKURTRISA-N 455.514 5.167 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)c(C)c1 2673078 SKVFHXFGURZGQS-PLRJNAJWSA-N 490.607 6.250 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1 3081840 RMLAXWASBMDUEA-WXGDAXOSSA-N 498.586 5.379 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 4196165 WUAHFIFWUMRVJH-WQRHYEAKSA-N 485.342 6.656 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCc1ccccc1 6906958 UKJHUVMQXLWLSN-BKUYFWCQSA-N 469.522 6.370 50 40 JKGB O=C(N/N=C\c1cc(/N=N/c2cccc(C(F)(F)F)c2)ccc1O)[C@@H]1COc2ccccc2O1 8861057 SNPRGXVZXCKVCN-XZQKQJTISA-N 470.407 5.117 50 40 JKGB CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1OC 9292974 VOPIVPCTJSOIFT-VWLOTQADSA-N 494.551 5.281 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2C#N)cc1Cl 9296168 VCBXDSFBTMCFED-UVHMKAGCSA-N 482.765 5.626 50 40 JKGB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccc(Nc3ccccc3)cc2)cc1 12566452 PUTSRPYIQZNVCA-JIRVEERFSA-N 484.600 5.362 50 40 JKGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc2ccccc12)S(=O)(=O)c1ccccc1 19949143 DCYCPJOELMYTKP-OGLMXYFKSA-N 492.000 5.147 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccc(Cl)cc1 20130419 XLQRCDPTAXGLAF-XMMPIXPASA-N 494.016 5.446 50 40 JKGB C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12)c1ccc(Br)s1 20407528 QVIGACKRHYVZKP-ZMOGYAJESA-N 470.417 6.250 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)c1cccc(NS(C)(=O)=O)c1 22744518 NQHBZXIAJUQNGK-CEUNXORHSA-N 486.597 5.044 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)c1ccccc1F 33658047 SNSMHSBNKQFVRT-NVMNQCDNSA-N 467.725 6.756 50 40 JKGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 33921975 HPIFGKQRASOUIK-YZJHEVQWSA-N 474.988 6.111 50 40 JKGB O=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 34200756 COBMTWPFFGBPFR-HNSNBQBZSA-N 489.575 6.019 50 40 JKGB Cc1cccc(OCCCOc2ccc(/C=C(C#N)/C(O)=N/c3nc4ccccc4s3)cc2)c1 41120645 AUIPOTPXKFLICU-HEHNFIMWSA-N 469.566 6.648 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1cccc(C(=O)O)c1 59248392 KOPMILIIAVZETR-GRSHGNNSSA-N 462.889 5.171 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2)cc1C 59297341 TYSUQODQWXGHDP-FYJGNVAPSA-N 461.359 6.191 50 40 JKGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1cccc(Cl)c1Cl 59335995 GXIUCPFPBOEALA-FLIBITNWSA-N 462.676 6.361 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 59485081 DNENKVAZWFCIBA-ZDLGFXPLSA-N 499.748 6.662 50 40 JKGB COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1sc(N2CCOCC2)nc1-c1ccccc1 96663199 WYXZJQNIKASZML-AQTBWJFISA-N 495.004 5.163 50 40 JKGB CC1CCN(C(=O)[C@]23CC[C@@](C)(/C(=N\NC(=O)c4ccc(Br)cc4)C2)C3(C)C)CC1 101039748 YGRMXTYHNVJECM-FVPYAQGNSA-N 474.443 5.010 50 40 JKGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 102625274 BXNYXXMRBIWBFD-HSZRJFAPSA-N 463.990 6.290 50 40 JKGB C/C(=N\NC(=O)Cc1c[nH]c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118932875 WBLZXQSVAXDGFP-CDSHDPOCSA-N 487.688 6.142 50 40 JKGB CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OCC 408540733 VOVNVFLTCSPZFS-MIXAMLLLSA-N 464.528 6.607 50 40 JKGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 408777077 VFAFELPWANODQP-UBXTYJAUSA-N 482.005 5.130 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OCc1ccccc1C#N 408794442 IKDROKZTFRQVGD-OEAKJJBVSA-N 483.955 6.073 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408797927 UHJIPAAAQGMUSW-KOEQRZSOSA-N 478.523 6.529 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408806010 DRTQSNTVBXUCQA-PXLXIMEGSA-N 463.493 6.181 50 40 JKGB CCOc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1 408862977 JWHKLZDALKRWKR-UHFFFAOYSA-N 499.677 5.298 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2Br)cc1Cl 408871059 XOOVYTQMXYOAAR-DEDYPNTBSA-N 465.778 6.547 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1Cc1cccc(F)c1 408877271 UCJLVDRREGQYBJ-RQZCQDPDSA-N 481.321 5.439 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1cc(C)cc(C)c1 408887072 NQFGKBDEUUFCNP-LPYMAVHISA-N 460.961 6.480 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 408887719 SQVQUJSQUGRNJO-LQKURTRISA-N 481.533 5.443 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cccc2ccccc12 408892748 CEDNIWPRCRSMGV-WKULSOCRSA-N 493.346 6.138 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OC(=O)c1cccc2ccccc12 408899204 ZUVCEJVZMLPYIM-LQKURTRISA-N 458.901 5.485 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccccc1C 408922927 HPDSJVZBAMRUJT-XODNFHPESA-N 491.802 6.697 50 40 JKGB Cc1ccc(-n2c(-c3ccccc3)cc(/C=C(/C#N)C(=O)NCc3ccco3)c2-c2ccccc2)cc1 408980216 FCTVGYFXOUHXBI-DIBXZPPDSA-N 483.571 6.936 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccccc2o1 409066134 JZZYGSLORGXQKW-RVDMUPIBSA-N 471.321 5.966 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OC)c1OCc1ccc(C(=O)O)cc1 409069788 AFUGMXBURYOYNX-HYARGMPZSA-N 466.493 5.906 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OCC)c1OCc1ccc(Cl)cc1 409075182 PJPDBNDTULQPEL-PXLXIMEGSA-N 490.962 6.731 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409193957 IVTMTFPGCKEAHZ-LGJNPRDNSA-N 488.327 5.643 50 40 JKGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 409225475 RBRWRYCSZREMPT-ROTLSHHCSA-N 492.156 5.739 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OC(C)C 409229274 MLLPJSKQXPYRCA-MOSHPQCFSA-N 471.395 5.291 50 40 JKGB Cc1ccccc1C(=O)Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1C 409256535 PDHVTTSARKEVHU-UHFFFAOYSA-N 484.646 7.607 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C 409270410 FPOMMEXMZYNHAA-MBTHVWNTSA-N 479.964 5.137 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2Cl)cc1OC 409325862 BZHFECIZSJFEOS-MBTHVWNTSA-N 487.383 6.134 50 40 JKGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(COc2ccccc2Br)c(C)cc1C 650703 FWRLEQINLDDWRZ-QHCPKHFHSA-N 497.389 5.290 50 40 JKGB CC(C)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)c(Cl)c3)=C2C#N)cc1 2312201 YIZJWYANORJJKB-QGZVFWFLSA-N 474.413 5.827 50 40 JKGB Cn1c(SCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1ccc(Cl)cc1 2315374 KPVZJGBUDBCTIM-CVKSISIWSA-N 477.977 5.170 50 40 JKGB O=P(CCCCCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 3144076 NZSLOZOWZPOWOD-UHFFFAOYSA-N 486.532 6.575 50 40 JKGB biogenic O=C(NCCSSCCNC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 6014753 WSJAJNKZAWMCGD-UHFFFAOYSA-N 476.752 5.033 50 40 JKGB CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc(O)c3ccccc3n2)c1 13751775 JGVJPGNVZZWADP-LTGZKZEYSA-N 473.536 6.041 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 15226975 JYUHNYDZTLKEFK-ZHZULCJRSA-N 497.486 5.874 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1ccco1 20136707 ZRZHUTCJVMOEDT-DEOSSOPVSA-N 499.592 5.356 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Br)cc3)c2)cc1 20197604 FILBSNXETUOOAC-WGOQTCKBSA-N 467.363 5.581 50 40 JKGB CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCc2ccc(Cl)cc2)N1 27550293 DZRGHWXYVHMMJB-JOCHJYFZSA-N 487.452 6.964 50 40 JKGB Cc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)c(C)n1-c1ccc(Cl)cc1Cl 33743792 BLRPUOZOOYGPAH-LICLKQGHSA-N 456.423 7.667 50 40 JKGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 58892728 ZRPFXHGZIARNLP-GCFUEJLLSA-N 488.415 5.764 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 59297043 AGDOBOMLHGMTAH-WOJGMQOQSA-N 456.851 6.483 50 40 JKGB CC(C)(C)C1CCC(=NNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)CC1 59472809 AUOYDTKLFMXAMJ-UHFFFAOYSA-N 476.042 5.244 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)cc(Br)c1OC 82068063 UXBFMXAATBQYLG-GHXNOFRVSA-N 455.230 5.031 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCc1ccccc1 209399728 XXDXYBQHPWDGTG-CIAFOILYSA-N 481.333 6.251 50 40 JKGB COc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(Br)cc1 408578878 BJVAHZGNAIAVOB-WUXMJOGZSA-N 471.974 6.047 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1Cl 408580083 AAKFUJYCWMENFS-RGVLZGJSSA-N 484.379 7.052 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 408580410 PIVVSODMXIDKBU-UDWIEESQSA-N 481.379 6.782 50 40 JKGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 408607102 BSKYLCDGCDSIDR-WKULSOCRSA-N 498.410 5.786 50 40 JKGB N#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)Nc1ccc2ccccc2c1 408759829 MLGSYPSXWRGKBQ-VIZOYTHASA-N 472.136 5.616 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 408797453 RXZOZPVZCFECCQ-CIAFOILYSA-N 490.943 5.568 50 40 JKGB Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 408806499 JKVSPWGSZDJGMM-VXLYETTFSA-N 485.798 7.388 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 408808310 DXVZTYCESHGRGD-STZFKDTASA-N 455.945 5.575 50 40 JKGB Cc1c(Br)c(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccccc1 408847534 NKNCLZFIPYYDBM-JVWAILMASA-N 460.375 5.703 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1Cc1ccccc1F 408873527 VJWMZYSSOIYFOC-LICLKQGHSA-N 455.316 6.278 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1 408880914 JJOBIKGMYZNDJM-XSFVSMFZSA-N 474.900 5.282 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)cc1 408883781 WNENAWOOKXFSHO-GZTJUZNOSA-N 487.364 5.615 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OCc1ccccc1Cl 408891428 QJSUDYGMLIDMJS-LICLKQGHSA-N 498.322 6.035 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC(=O)c1ccccc1 408897054 QBWVXHPJJRAEJT-GZTJUZNOSA-N 467.308 5.767 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2)c([N+](=O)[O-])c1 408897700 SPZDAGCKBGKGJP-XDHOZWIPSA-N 492.329 5.790 50 40 JKGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\NC(=O)Nc2ccc(Br)cc2)c1C 408914694 YOKXAQPLLSNISC-MSXFZWOLSA-N 469.339 5.019 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccccc1 408947743 DATUEMDVAJYMBL-XKZIYDEJSA-N 485.971 5.675 50 40 JKGB CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)NCc4ccco4)o3)sc2c1 408991401 NTWLIDGFDFZSJM-GXDHUFHOSA-N 451.529 5.256 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1 409065099 HJDKPDQNNUDCBK-QGOAFFKASA-N 497.370 5.071 50 40 JKGB CN1C(N)=C(C#N)[C@H](c2ccccc2OCc2ccc(Cl)cc2Cl)C2=C1CCCC2=O 409128823 IYHHVNLWOIUKGI-QFIPXVFZSA-N 454.357 5.302 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Cl)c1OCc1ccc(Cl)cc1 409132911 PGDGLYLRIVPONV-FQEVSTJZSA-N 471.344 5.221 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1OCC 409327318 SDZRELBXTSHLIG-RHANQZHGSA-N 494.975 5.655 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 409368863 QBPFTDZXVYERLP-STBIYBPSSA-N 486.959 6.016 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 2078232 OYTHEXNMUOAVGS-MZJWZYIUSA-N 497.389 5.426 50 40 JKGB Cc1ccc(/C=N/NC(=O)COc2c(C(C)C)cc(Br)c(C)c2Br)cc1 3059791 FROCMFFBFRUOFO-AUEPDCJTSA-N 482.216 5.481 50 40 JKGB COc1cc(/C=N/NC(=O)[C@H](C)Nc2ccc3ccccc3c2)ccc1COc1ccc([N+](=O)[O-])cc1 8742357 GNYMIMVGFJEOJC-HJHSVFMCSA-N 498.539 5.286 50 40 JKGB CCn1c(SCC(=O)N/N=C(\C)c2ccc(-c3ccccc3)cc2)nnc1-c1ccc(C)cc1 12465000 OYBCUQGIMVEKAE-VFCFBJKWSA-N 469.614 5.573 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 13595673 VJOOEUUAAIIABH-MZJWZYIUSA-N 480.793 5.798 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccc(F)cc1 20760911 FXHQQBFVSUZMAS-VULFUBBASA-N 471.326 5.330 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)NCc1ccccc1 58826148 XXHREGKVKAERQR-MOSHPQCFSA-N 460.364 6.220 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cc(OC)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 59417183 SSSOHNBTWBLBPZ-UVHMKAGCSA-N 489.406 5.187 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(O)CCCC3=N2)c1 104101171 MNZGCIKBVLYRRI-QHCPKHFHSA-N 463.990 6.290 50 40 JKGB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OC(=O)CCl)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@@]21C 118936170 JYFIEJVIHNYZAE-ACJZQGMZSA-N 463.146 7.868 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(Cl)cc1 408579685 JOXAMBFKUBOIMH-HZHRSRAPSA-N 464.392 7.764 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)c(Br)c2)cc1 408744350 KPQSRAHTVPHFMD-UYRXBGFRSA-N 495.348 6.112 50 40 JKGB CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1Br 408767386 WLTKKSXOEFUKGD-ODCIPOBUSA-N 494.998 5.681 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 408767856 QCYQRTVNLAZPGI-JWGURIENSA-N 451.492 6.014 50 40 JKGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)cc1 408810368 JNTASJCDKKKZIP-LELVYMQHSA-N 453.380 5.630 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 408889559 FFVZSVUXTNQRNL-CPNJWEJPSA-N 495.362 6.465 50 40 JKGB Cc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)c(C)n1-c1ccc2ncccc2c1 408968268 XRGQROWDCOAUDU-VYYCAZPPSA-N 471.611 5.494 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)c(Br)cc1OCc1ccccc1F 409089019 IDRRWUIWMKWQRW-ZMFRSBBQSA-N 471.326 5.248 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccccc1OCc1ccc(Cl)cc1Cl)OCO3 409094894 GPBWRRNOLSJHFU-HSZRJFAPSA-N 467.308 5.519 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccccc1Cl 409148161 OVIBLOMIBXLJMQ-XMMPIXPASA-N 463.965 5.048 50 40 JKGB CCCCc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(OCC)ccc4o3)c2C)cc1 409189367 KFCCLZNZHNDJKJ-MIXAMLLLSA-N 457.574 6.346 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(OCc2ccccc2)cc1 409250621 XQVISOHOGNNNKF-YKQZZPSBSA-N 455.533 5.505 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)cc1OC 409314762 HDZHJSXESQFGOE-FSGOGVSDSA-N 468.553 5.980 50 40 JKGB CC(C)c1ccc(-c2cc(C(=O)NNC(=O)Nc3cccc(Cl)c3)c3ccccc3n2)cc1 648463 HAVGBJLOYARUMG-UHFFFAOYSA-N 458.949 6.145 50 40 JKGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1c(F)cccc1Cl 1915706 PIESPCRDOFTTAF-WOJGMQOQSA-N 492.355 6.058 50 40 JKGB COC(=O)c1c(N2C(C)=CC(C(F)(F)F)(C(F)(F)F)C(C#N)=C2N)sc2c1CCCCC2 2050123 WVQYFMUFAUWMNY-UHFFFAOYSA-N 479.446 5.332 50 40 JKGB N#C/C(C(=O)Nc1cccc(Cl)c1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2322602 ADQZLMNLUYGBHE-CKVBZJJFSA-N 477.948 5.544 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2ccccc2C(F)(F)F)nnc1-c1ccc(C(C)(C)C)cc1 2346067 WWDSGFYFFGAHTQ-CCVNUDIWSA-N 489.567 5.524 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@@H](c3c(ccc4ccccc34)N[C@H]2c2ccccc2)[C@H]1Cl 6474026 MNJHTWREHWCETR-LVLPDZFQSA-N 487.024 7.787 50 40 JKGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1oc2ccccc2c1CSC1CCCCC1 14358883 BMGDKKKNWMKRHT-UHFFFAOYSA-N 480.674 6.366 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)NC[C@H]1CCCO1 19877190 VKVLUHUEMZZPIV-GTENMVSRSA-N 454.357 5.199 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 20198109 DDPTZGUOCBTSAR-OGLMXYFKSA-N 470.529 5.459 50 40 JKGB CCOc1cc(/C=N\NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccco1 30738540 YFUPGVWZDDSBPC-YHMOJLNDSA-N 474.557 5.449 50 40 JKGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C3/C[C@H](C)CCC3=C(C)C)cc2)cc1 33683322 HHAGPPBFEAXQLG-OCJQDMQDSA-N 469.607 5.128 50 40 JKGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OCC 33797710 HJYSSPMNHPPITN-CVKSISIWSA-N 483.362 5.338 50 40 JKGB CCN(CC)c1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Cl)c(Cl)c4)c32)cc1 57375087 DUDIVKAIPHJNIM-IBGZPJMESA-N 454.361 5.448 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)o1 59335993 IHOUHARRQHELJM-XFXZXTDPSA-N 458.257 5.716 50 40 JKGB O=P(/N=c1/nc(-c2ccccc2)n(-c2ccccc2)s1)(Nc1ccccc1)Nc1ccccc1 100689001 BUARWZFFQHIBKU-BXVZCJGGSA-N 483.537 6.834 50 40 JKGB CCCCCCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1 107627517 XITNDAGPSUGHBI-RGEXLXHISA-N 489.841 7.387 50 40 JKGB CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1 108992212 GBOOEHIEFJUPOU-BRPDVVIDSA-N 460.574 5.997 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408792175 JBOWJCVAYKFANJ-LICLKQGHSA-N 451.841 5.512 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1 408812321 SFXZTIHKOZVJBM-NCELDCMTSA-N 484.555 7.126 50 40 JKGB O=C(N/N=C\c1ccc(OCc2cccc3ccccc23)cc1)c1cc2cc(Br)ccc2o1 408852597 LROLLNPEWIZGNR-MWLSYYOVSA-N 499.364 6.691 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OCC 408853435 SHGXYHAZHOJYLI-QXPFVDMISA-N 493.607 6.352 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(C(=O)O)cc1 408881518 NSLFHOZXRXCGMV-WOJGMQOQSA-N 467.308 5.816 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1ccc(C)cc1 408891568 SNJFMVBZWKDZDL-LGJNPRDNSA-N 457.313 5.294 50 40 JKGB Cc1ccc(-n2c(-c3ccccc3)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2-c2ccccc2)cc1 408985607 NVYSFWOJHKPNNA-OFWBYEQRSA-N 493.610 7.343 50 40 JKGB COc1cc(Br)c(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC 409036203 AMRKLHJROTXRQH-DICXZTSXSA-N 490.357 5.445 50 40 JKGB CC(C)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 409049067 VSSVAPHPUASXLZ-MKMNVTDBSA-N 457.279 6.593 50 40 JKGB Cc1ccc(COc2ccc(/C=N/NC(=O)CSCc3c(Cl)cccc3Cl)cc2)cc1 409138263 ZEENGVBYOZWWEV-UVHMKAGCSA-N 473.425 6.264 50 40 JKGB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2ccc(Sc3ccc(Cl)cc3)o2)c1 409186675 GIUVEHOTKHVBCB-UHFFFAOYSA-N 484.408 6.909 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1cccc2ccccc12 409190793 QVJWZQIIMICFJJ-BKUYFWCQSA-N 460.961 6.047 50 40 JKGB Cc1c(/C=N/NC(=O)CSc2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1Cl 409202813 SOEJNYOABSKOAP-CCVNUDIWSA-N 482.436 6.547 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc(F)c1)c1ccccc1 409251393 PXERVMGCPDCAGY-OJSPLJLUSA-N 479.349 5.952 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c(C)c1 409268133 QGDXPEGBFDVNCE-LPYMAVHISA-N 473.960 5.198 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 1057051 CIKFUCBMLVPGQX-QFIPXVFZSA-N 478.390 5.399 50 40 JKGB Cc1ccc(S(=O)(=O)SCc2ccccc2CSS(=O)(=O)c2ccc(C)cc2)cc1 1617555 UCVRZZCQOGKKAR-UHFFFAOYSA-N 478.682 5.548 50 40 JKGB Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1cccc2ccccc12 4047961 PVZHYOXXWXNJFN-RUMWWMSVSA-N 473.576 5.634 50 40 JKGB O=C(N/N=C(\c1ccccc1)c1ccc(C(F)(F)F)cc1)c1cc2ccccc2n1Cc1ccccc1 8916597 BBJIHCKSVHNEBU-CDSHQWRTSA-N 497.520 6.891 50 40 JKGB C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)c1O 9076094 WGXFDXIDVDYCTG-OGLMXYFKSA-N 489.645 5.435 50 40 JKGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(/N=N/c2cccc(Br)c2)ccc1O 9905822 LNYCQHKJRQLOBX-BYGYOCHOSA-N 498.293 5.007 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)N3CCCCC3)N(c3ccccc3)C2=O)cc1Cl 12273760 VLEBRRDSDYAMAF-WTALZMIHSA-N 466.006 5.087 50 40 JKGB CCCCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 12273765 SSSLKBGSWXQEDG-VOEFLUBFSA-N 495.648 6.403 50 40 JKGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 14134465 PQLAERCFDZOGLR-AFUMVMLFSA-N 457.755 5.374 50 40 JKGB Cc1cc(OCC(=O)N/N=C2/C=C(c3ccccc3)[C@](O)(c3ccccc3)C2)ccc1C(C)C 15905843 CCJYMXCPTXOEHQ-DVOBMNTKSA-N 454.570 5.345 50 40 JKGB O=C(NN=C1CCCCCCCCCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 20247291 LOBCZDNRTKQJLT-LJAQVGFWSA-N 491.701 6.851 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2cc(C)ccc2C)nc2ccccc12)c1ccc(NS(C)(=O)=O)cc1 22744527 SEJDIIPQKHAMSW-CEUNXORHSA-N 486.597 5.044 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)c1ccc(OCc2ccc(Cl)cc2)cc1 58980262 RLXHIFHQGYYGPG-KBVAKVRCSA-N 488.946 6.401 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OC(=O)c1ccc(C)cc1 59117105 XXRIKNMMUHTEKB-DEDYPNTBSA-N 460.917 5.812 50 40 JKGB N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 59336389 RBBOLJMKSDRYLR-ATVHPVEESA-N 480.782 7.195 50 40 JKGB N#C/C(=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1)C(N)=S 110220075 BQKCZCSCGUHBCE-LFYBBSHMSA-N 470.161 5.123 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)c(Br)c3)[nH]c2cc1C 408544593 VSARONBYZBEAJQ-YBFXNURJSA-N 492.804 7.239 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc(C)cc1 408581196 UYBAFBOHDGTVGW-VXLYETTFSA-N 472.799 7.997 50 40 JKGB O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccco1 408722532 JSUIXDPOEIUJCM-SSDVNMTOSA-N 478.140 5.148 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C 408784134 TZJVVNUNURDNSV-JCMHNJIXSA-N 474.992 5.438 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1 408795894 WOBOLSNRUOXTEJ-PXLXIMEGSA-N 468.940 6.626 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OC)c1OCc1ccccc1F 408814300 SLUIPKARRXQYKN-IWIPYMOSSA-N 486.543 5.374 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408815552 XDIZRGOGXFYPDW-KOEQRZSOSA-N 494.978 7.044 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cn(Cc3ccccc3Cl)c3ccccc23)cc1 408820292 VGCCWNQGCVBOIN-STZFKDTASA-N 455.945 5.575 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccccc2)c(Br)cc1OCc1ccc(F)cc1 408857346 NUZUFIQLJRCJEZ-UDWIEESQSA-N 452.323 6.630 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 408882462 OIMFQKPXSXTUIR-XDHOZWIPSA-N 477.904 5.690 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1cc(C)cc(C)c1 408887276 NIVCGSUKUFQXJQ-CIAFOILYSA-N 478.951 6.619 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 408888887 CJRBRGNSGSARAH-DHRITJCHSA-N 473.754 5.454 50 40 JKGB N#C/C(=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1c(Cl)cccc1Cl 408891824 VWHKEYMBIRFEFX-GZTJUZNOSA-N 462.336 6.599 50 40 JKGB CC(=O)Nc1ccccc1Sc1ccc(/C=N\NC(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] 409117205 NSIHDXQOFYKCNI-CFRMEGHHSA-N 468.922 5.122 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccc3ccccc3c2)c(Br)c1 409137582 WAPYBRYKNXVBCU-AREMUKBSSA-N 499.364 6.105 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1 409261860 DQUTXGOJIUDOPD-XDHOZWIPSA-N 492.329 5.747 50 40 JKGB Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2OCc2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1C 664729 CMHJMASUTXDGRZ-DEOSSOPVSA-N 482.971 6.144 50 40 JKGB Cc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3cccc(C)c3C)N(c3ccccc3)C2=O)c1 2213052 GVTGAHPAJOWFBX-ZDDKYUFNSA-N 467.594 5.677 50 40 JKGB Cc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)c(C)n1-c1ccc(Cl)cc1 2800881 DYBFBPAKUGLREU-WYMPLXKRSA-N 455.008 5.600 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 9204223 XLLRBJUNNJGSRS-LGJNPRDNSA-N 475.745 5.513 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccs2)c(Br)cc1OCc1ccccc1C#N 9323145 NILCDPKPJDAVBU-DHRITJCHSA-N 484.375 5.124 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCc3ccccc3Cl)N=C3CC(C)(C)CC(O)=C32)cc1 9339643 MQQLACAIPVRTHV-HSZRJFAPSA-N 465.018 7.187 50 40 JKGB Nc1nc(-c2ccc(Cl)cc2)c(SSc2sc(N)nc2-c2ccc(Cl)cc2)s1 15276572 RKLJYTBZJUQWLM-UHFFFAOYSA-N 483.496 7.204 50 40 JKGB CC(C)OC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 17113485 XXYLUUIYENTZSP-QGOAFFKASA-N 457.511 5.458 50 40 JKGB Cc1ccc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3ccc(C)cc3)c2C)cc1 20243626 FWCJKANLANQMPV-LGJNPRDNSA-N 484.463 5.857 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(OC)c1OCc1ccccc1 34690056 QGTRGPPHNXQVMC-ZCTHSVRISA-N 480.564 5.928 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1cccc(F)c1 34895705 CQTZRXKOTABSSK-MFOYZWKCSA-N 456.286 6.379 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 59245221 QPGMMMRNZTYLKW-YBFXNURJSA-N 492.329 5.790 50 40 JKGB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4C[C@@H](Br)[C@H](Br)C[C@@H]4C3=O)cc2)c1 101052795 OYPVHBMYKLKSNL-INDMIFKZSA-N 493.195 5.214 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Br)cc1 139356902 RFTMMLMXVFMZMS-LDADJPATSA-N 497.776 6.236 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@H]1P(=O)(c1ccccc1)c1ccccc1 139537352 FXCYJNJQLLGGGH-RMDVPPNSSA-N 494.511 5.958 50 40 JKGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl 408611709 RTCZPXGLYRKHQU-KKMKTNMSSA-N 474.319 5.109 50 40 JKGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Br 408759239 AJMSRBGHOUHKAQ-JYRVWZFOSA-N 450.130 5.156 50 40 JKGB C=CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OC 408762205 AFBDNHZTLYHHBZ-PDGQHHTCSA-N 453.336 5.297 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 408767182 JRPLQSIOVNZWDV-HMAPJEAMSA-N 492.417 5.867 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 408790114 NVJITAWPXTYUSG-NTUHNPAUSA-N 480.145 5.322 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1cccc(F)c1 408790948 ZMOWDAHLIVNDTF-KEBDBYFISA-N 464.924 6.229 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccc3ccccc23)cc1 408815986 SBQVQHJOYQLGQZ-KOEQRZSOSA-N 462.549 6.535 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1Cc1ccccc1F 408866291 DTAXXJCGNCDUCP-YBFXNURJSA-N 483.768 6.687 50 40 JKGB N#C/C(=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1)C(=O)Nc1cc(Cl)ccc1Cl 408892064 AMHBMEFVHIVTTE-LZYBPNLTSA-N 479.279 6.111 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OCC)c1OCc1ccccc1 408966975 OMNCVGBXFWYTAY-OCSSWDANSA-N 457.505 5.167 50 40 JKGB Cc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccc(F)cc1 408976600 BAPOHANRRQLQFO-IFSBUVSJSA-N 482.559 5.245 50 40 JKGB O=C(N[C@@H](Cc1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1)OCc1ccccc1 409002481 NSBQQSDKLBDQDZ-MHZLTWQESA-N 465.553 5.394 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br 409049544 WHRDNXZMBNOJHC-MDWZMJQESA-N 498.602 6.199 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 409051887 OARLGPYUWOGENV-KKMKTNMSSA-N 477.775 6.307 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OCC)c1OCc1ccccc1 409072379 VGLKZBHSLAXKBD-YZSQISJMSA-N 466.581 6.555 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)c1 409075835 YKMIGADLZJHNBM-SFQUDFHCSA-N 487.364 5.615 50 40 JKGB COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3ccc(Sc4ccc(Cl)cc4)cc3)oc12 409095350 CBRPBSITHAIBQI-DHRITJCHSA-N 481.917 5.918 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)c1ccccc1 409224610 IKCIEWDUVVJYRE-SJJOQSKNSA-N 495.362 6.055 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)cc1 409262108 FEQYOWANNHFALR-PXLXIMEGSA-N 499.567 5.274 50 40 JKGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)c(Cl)c3)=C2C#N)cc1Cl 409316319 MDFATWYFIUDYPI-ZDUSSCGKSA-N 496.803 5.366 50 40 JKGB N#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)Nc1cccc(Cl)c1 606775 JUPXGBKGXVMONG-ONNFQVAWSA-N 456.521 5.116 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCc1ccccc1Cl 1950350 CWYXZPYYNAWRPB-LGJNPRDNSA-N 487.781 5.762 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)sc(C(=O)OC)c1C 2397459 SDZYTEVQWKALIE-WJDWOHSUSA-N 481.599 5.737 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(O)(c1ccccc1)c1ccccc1 8893708 INVDTZDDNILHLC-LQKURTRISA-N 465.336 5.640 50 40 JKGB CCn1c2ccccc2c2cc(N/C=C(\C#N)c3nc(-c4ccc(Br)cc4)cs3)ccc21 9042157 IXRXEVZXFQTQFJ-OBGWFSINSA-N 499.437 7.677 50 40 JKGB N#C/C(=C\Nc1ccccc1C(F)(F)F)c1nc(-c2ccc(Br)cc2)cs1 9405004 VAVUDKNAHUSJMM-JLHYYAGUSA-N 450.283 6.568 50 40 JKGB O=C(N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2cccc([N+](=O)[O-])c2)cc1)c1cccnc1 13591088 UARJACGJMOYWMR-MLEMOKSJSA-N 490.523 5.109 50 40 JKGB CC[C@H](C)c1ccc(OCCOc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1 16157736 DRASBRCUUJDBGY-MQMHFVAESA-N 489.015 7.165 50 40 JKGB N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@H]1c1cccc(OCc2ccccc2)c1 20238348 WOTQZWUUZCDGDX-VWLOTQADSA-N 467.594 5.481 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1C 32116844 TZFJPLHFWBFMOO-PDGQHHTCSA-N 463.946 6.562 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c3ccccc32)c1 59117311 SGRIKTHBAAOBCK-ZHZULCJRSA-N 469.928 5.675 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cccc(C)c1 59266349 BHUHQQGCKWAWTA-FYJGNVAPSA-N 480.486 6.537 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2cccc(Cl)c2)cc1 59472813 KNFGWJZIDFHVEW-UHFFFAOYSA-N 490.069 5.552 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1 59536193 MCPJHJWEZJJXDU-LICLKQGHSA-N 457.744 6.771 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 107835893 ZYBXVLFMFNBWEM-AQTBWJFISA-N 493.922 5.441 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2Br)c1C 108013979 QWJLGPMXSRWDQN-JFLMPSFJSA-N 476.374 5.782 50 40 JKGB CC1(C)CC[C@@]2(C(=O)NN)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 108234480 APYOKISKLZLBOK-BDHGLELSSA-N 486.741 5.110 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)c1cccc(Br)c1 108283209 WHBDYEMEERFCQE-YVLHZVERSA-N 485.740 6.323 50 40 JKGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 109041545 JICHZZHEPLLBOZ-LQKURTRISA-N 485.565 5.711 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc(F)c2)cc1 207155289 BYYMCJJCQNUARU-NDENLUEZSA-N 495.348 5.399 50 40 JKGB CO[C@@H]1C[C@@H]2[C@@H]3CC=C4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@@H]1C(C)=O 253613867 KUJXAJMABXMSCW-XCTHIMLSSA-N 460.775 7.170 50 40 JKGB biogenic,in-vitro Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc(Cl)cc1Cl 408540952 DEFSKGNUZRXZLE-MFOYZWKCSA-N 454.313 5.645 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 408570022 RNXVQAICMVZYBP-NVNXTCNLSA-N 494.885 5.585 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 408580320 OIBDLRLJESZIIH-WOJGMQOQSA-N 469.722 6.654 50 40 JKGB COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1 408599591 WZXBIOWNEFOCQQ-WOJGMQOQSA-N 492.398 6.570 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1)Nc1ccc(Cl)c(Cl)c1 408757120 ZZKPAZCTYPNWNJ-RPPGKUMJSA-N 476.747 5.428 50 40 JKGB Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408785171 ZESWXOVFEOPAFA-YSMPRRRNSA-N 472.636 7.502 50 40 JKGB N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408792807 LMACDBGRGMQCAJ-CAPFRKAQSA-N 486.980 7.209 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)c1C 408793134 NNJXONMJZPVUKL-BUVRLJJBSA-N 466.968 7.235 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Cc2cccc(F)c2)c(Br)c1 408875656 KZAZPQCVJRPDOC-YBFXNURJSA-N 483.768 6.687 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br 409049704 XWBJQCVKXGHPCA-MDWZMJQESA-N 498.602 6.199 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccccc1 409129011 TWZJZAQCNMYIFA-QHCPKHFHSA-N 493.357 5.351 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1OCC 409311766 HTYSEAHYLVPPQK-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB Cc1c(/C=N/NC(=O)Cc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 409370753 DBVAAWYTBAHDTO-IPPBACCNSA-N 484.814 6.651 50 40 JKGB CC(C)(C)[S@@](=O)N[C@H](c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 1857795181 RTEPAEFPZJXJEI-LHXZUMEBSA-N 471.606 5.586 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCc1ccc(C)cc1 1439445 ZNHOHCXJDWFTOM-HYARGMPZSA-N 455.514 5.087 50 40 JKGB C[C@H](Br)[C@@H](OC(=O)c1ccc(Cl)cc1)c1cc2c(cc1Br)OCO2 1614637 NARJJTBWXGTBFG-XXFAHNHDSA-N 476.548 5.513 50 40 JKGB Cc1cc(C)c(N/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c(C)c1 8816813 UVLJVSHQVBCGOB-GZTJUZNOSA-N 458.499 5.727 50 40 JKGB Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3Cl)CC(=O)N2)c1 9110804 MRUQVHYEXVOGRB-INIZCTEOSA-N 460.386 5.321 50 40 JKGB CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(-c4ccccc4)cc2)C(C#N)=C(N)O3)cc1OC 9292509 GQSMVLXDMBTAMM-DEOSSOPVSA-N 464.525 5.369 50 40 JKGB C/C(=N\NC(=O)c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(C(C)(C)C)cc1 9720859 UCUHALSCIXQULX-MTDXEUNCSA-N 479.418 6.480 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)cc(Br)c1OCC 33349293 CAPJJFJPKVNCGF-WGARJPEWSA-N 481.346 5.910 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc2ccccc12 59254968 XHJKGHXVYWNZKE-XMHGGMMESA-N 487.342 6.911 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1 59281512 RYCBLKOAKMUGMX-UDWIEESQSA-N 481.379 6.825 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1 59297016 OFSNKDVIYPVEAL-UYRXBGFRSA-N 463.331 5.582 50 40 JKGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 59336207 GGPCKPGBLSNRBU-WQLSENKSSA-N 487.124 5.542 50 40 JKGB N#C/C(C(=O)CN1CCC(Cc2ccccc2)CC1)=C1/NC(c2ccc(Br)cc2)=CS1 97819746 NHXPRZXCCVUIJU-YYDJUVGSSA-N 494.458 5.343 50 40 JKGB CCN(CC)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4cc3OC)c2C)cc1 107945840 YYBAYWGZALWSEN-NDZAJKAJSA-N 468.601 5.866 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccccc1Cl 408581725 ZBDNUNOZVKFANN-RQZCQDPDSA-N 493.217 8.342 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3c(O)ccc4ccccc34)cc2-c2ccc3ccccc3c2)c1 408727979 YVWBBXSDOXVAHQ-FMFFXOCNSA-N 496.570 6.624 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1C#N 408735637 VLAGPUYFOQJTHN-WSDLNYQXSA-N 471.944 6.043 50 40 JKGB N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1cccc2ccccc12 408753471 ADIYQZJXKAEORO-NLRVBDNBSA-N 454.529 7.118 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1cccc(Cl)c1 408805806 HSFFBNKIAGIFLH-KEBDBYFISA-N 481.379 6.744 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccccc1F 408810755 PYVBTQQYIKKMCJ-YBFXNURJSA-N 476.305 5.585 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2ccc(OC)cc2)c1Cl 408816633 LYDYIZQPGXNYDK-BRJLIKDPSA-N 476.316 5.279 50 40 JKGB CCCCc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1 408845853 LTLPKSDJXKPRRM-NTFVMDSBSA-N 492.417 6.709 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(Cl)c2)c1 408885769 ALFZGYPNKHWPGN-UDWIEESQSA-N 495.804 6.844 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1cc(C)cc(C)c1 408889161 AIMMIJCEVZBWKL-ZMOGYAJESA-N 489.015 7.097 50 40 JKGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)c(Br)c1 408892244 ACKGDMOYQNJQMK-KPKJPENVSA-N 499.000 5.828 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1 408893914 GWCSKTWMUOFSSJ-UDWIEESQSA-N 451.353 6.735 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc3ccccc3c2)cc1 408984554 IXEWZCHCCVRKLN-IWIPYMOSSA-N 452.941 6.926 50 40 JKGB Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)N/N=C\c3c(C)n(C)c4c(C)cccc34)c2c1 409037449 CMEZQQCJEIHEGS-ACXHZZMFSA-N 480.999 6.736 50 40 JKGB Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 409159404 ZRHCYWYPNFUGBL-MUFRIFMGSA-N 481.955 5.626 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc2ccccc2c1 409227859 SCVGLYUEDJPFOQ-LJUMEUDFSA-N 490.962 6.303 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)ccc1OC 409313281 NUSNEQFVZMWXOW-MWLSYYOVSA-N 496.991 5.797 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409394211 XFBWQIUYNGDVMK-OCKHKDLRSA-N 497.320 6.538 50 40 JKGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3Cl)CC(=O)N2)cc1 2312138 KBLXTXLLKDWGEF-QGZVFWFLSA-N 476.385 5.103 50 40 JKGB C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccc2ccccc2c1 2743347 UBEBATPBPINIDM-JFLMPSFJSA-N 492.004 5.092 50 40 JKGB CC(C)c1ccc2c(c1)/C(=N\NC(=O)c1ccc(CN3C(=O)c4cccc5cccc3c45)cc1)C(=O)N2 3284330 CWVLCORBCWNTJY-UHFFFAOYSA-N 488.547 5.210 50 40 JKGB COc1cc(/C=N/NC(=O)CCc2ccccc2)cc(Br)c1OCc1ccccc1 9028311 BGDLLAOKGFLZFI-WGOQTCKBSA-N 467.363 5.120 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OCc1ccccc1 9057368 OXKZBPFODALCJE-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c(Br)c1 9057835 WEHSLHHUOHNVQD-CPNJWEJPSA-N 452.421 7.056 50 40 JKGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(-c2cccc(OCc3ccccc3)c2)[nH]n1 9375107 GHXDMCCBCPIHGD-MZJWZYIUSA-N 465.340 5.726 50 40 JKGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C/C=N/NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1 9948733 MSYDWDZIVIVAIC-KXUILMQZSA-N 486.660 5.393 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)cc1Cl 13174466 ZVXNMXSXILZHBF-HSZRJFAPSA-N 498.435 6.103 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)NCc1ccco1 13943961 BTNUUBMFLHWRNL-FYJGNVAPSA-N 487.353 5.998 50 40 JKGB CCCCc1ccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc(Br)c3)c2C)cc1 17150213 YHJBTWMRSMBTOW-YUMHPJSZSA-N 482.422 5.728 50 40 JKGB CCCC[C@@H](Br)C(=O)Nc1nc2ccc(OCc3ccccc3F)cc2s1 20133036 ATZZPWPRBGJCKK-OAHLLOKOSA-N 451.361 5.907 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 20764689 JUGRXOXUKLYJKW-MZJWZYIUSA-N 473.356 5.744 50 40 JKGB CC(C)NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 59224640 CVDMPZURYVEILW-CHHVJCJISA-N 468.178 5.766 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(Br)cc1 59247951 KCNDEXDNLSIHHC-LCYFTJDESA-N 495.623 7.673 50 40 JKGB CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 59333933 PXRULWOHSAORPL-AUWJEWJLSA-N 498.602 5.439 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc(O)c2ccccc2n1 96925783 OLXVPJOMVCYXBX-UQQQWYQISA-N 485.543 6.558 50 40 JKGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(/N=N/c3ccccc3)cc1)[C@H](Br)C2=O 100834648 WJVDGQHEYIHWJJ-RSEYIGCHSA-N 454.368 6.199 50 40 JKGB CCO[P@](=O)(c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)oc1NCc1ccccc1 102580586 SBOMSOJJRPVFLQ-MGBGTMOVSA-N 463.430 5.127 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccccc2Cl)N=C2CCCC(O)=C2[C@H]1c1ccccc1F 104142259 UCKMZFYGDMRULZ-QFIPXVFZSA-N 467.953 6.120 50 40 JKGB CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc(Cl)c1OCc1ccccc1 408609357 RALHKKAJNFRJQH-HXUWFJFHSA-N 493.991 5.122 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc(Cl)cc3)cc2-c2ccc(-c3ccccc3)cc2)c1 408724499 LGHHNUVMDFNIGP-UZWMFBFFSA-N 490.994 6.932 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 408743857 HSONWODLHAPCEU-STZFKDTASA-N 491.385 6.281 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 408745424 SAUHTRSCKKFALW-ZDLGFXPLSA-N 471.771 7.080 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 408748945 CWDGRLJNKIKWDL-YKQZZPSBSA-N 487.987 5.142 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408759245 ALWXVEOJTRDLAE-IPPBACCNSA-N 494.334 5.290 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1 408791075 STPQEXOZJFUYAX-HYARGMPZSA-N 474.944 5.950 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1 408795526 MOGCXCNHQTYZOL-LGUFXXKBSA-N 483.571 6.814 50 40 JKGB O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 408861021 KXQLHZSMFFIIOB-RUMWWMSVSA-N 474.608 5.025 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(C)cc1 409008278 UZZWHDPTZMYKJX-HYARGMPZSA-N 469.541 5.184 50 40 JKGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Cl 409031101 GNYKLBYELWDLKG-MWLSYYOVSA-N 474.347 5.985 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1C#N 409052734 LXOMHCYKXVFTCH-IPPBACCNSA-N 482.367 5.915 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 409134899 ONWQXBHILSMWRS-QFIPXVFZSA-N 483.749 5.605 50 40 JKGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1Br 409186641 FWAIEEHXSUJPEL-MSXFZWOLSA-N 477.742 5.576 50 40 JKGB N#C/C(=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 409224464 HSVZKZAXQBFWOL-AQTBWJFISA-N 488.469 5.844 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccccc2Cl)c(Br)c1 409230564 ZLJQPLILCGOENU-ZMFRSBBQSA-N 475.745 5.513 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1O[C@H](C)CC 409237708 LCJQMPZVPZBDGC-MKYLKIGJSA-N 485.422 5.681 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2F)cc1OCC 409317397 QGMYDZMIWQRGJR-MBTHVWNTSA-N 470.928 5.619 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)ccc1OCc1cccc2ccccc12 409380452 DSIASPBCDXPXJQ-XYGWBWBKSA-N 465.553 5.913 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1 2366602 ANEVWJGZELZNRA-OGCOBRASSA-N 488.012 6.022 50 40 JKGB Cc1cc(COc2ccc(Cl)cc2C)c(C)c([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1 2748019 OKWREAJIIDAMJZ-WNCULLNHSA-N 483.015 6.438 50 40 JKGB CC(=O)C1=C(C)NC(SCC(=O)N2c3ccccc3C[C@@H]2C)=C(C#N)[C@@H]1c1ccc(Cl)cc1 3296564 MILIFLDVNPHRON-MQNRADLISA-N 478.017 5.336 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(CSc2nc3ccccc3s2)cc1 3307460 XIWLUVVFUQLEJY-BRJLIKDPSA-N 472.422 6.659 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccccc1[N+](=O)[O-] 8817221 DGJLZXCTJPXWMG-AFUMVMLFSA-N 498.996 5.254 50 40 JKGB N#C/C(=C\Nc1ccc(Cl)c(Cl)c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 9335116 FQOUIJKYPDBJPP-FMIVXFBMSA-N 485.308 6.108 50 40 JKGB CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3[nH]2)cc1 9508041 DSNBWTOCRQOTTB-PYCFMQQDSA-N 475.621 7.372 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(Br)c2)c1 9907424 PCVDOPHUDPVPCG-MOSHPQCFSA-N 477.358 5.972 50 40 JKGB N#C/C(=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)Nc1ccccc1Cl 12360327 DBMPPZAUYCAPCO-HMMYKYKNSA-N 483.911 6.526 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccco1 13584253 KEBAEAFCFIBLQY-XYGWBWBKSA-N 465.966 5.122 50 40 JKGB CCCCc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 13689171 MTQSCXMGIDTFOQ-VOUPIIBTSA-N 481.621 6.094 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccccc2C)cc1 20060004 GZLACOUUCZVMSS-UHFFFAOYSA-N 497.705 6.276 50 40 JKGB Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)c3cc4ccccc4cc3O)c2C)c1 20243898 BWMOSEAALIVKPT-CCVNUDIWSA-N 490.401 6.096 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(Br)c1OCC 34878358 RHZPAWUGCOZMBZ-MFKUBSTISA-N 455.352 5.093 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)c(Cl)c1 35190889 SGZUDKXWSKCGOG-ZDLGFXPLSA-N 455.297 6.553 50 40 JKGB CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1 38682462 GAUNVZPRXDOICE-AREMUKBSSA-N 464.546 5.999 50 40 JKGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cccc(I)c1 59435275 BUSGVIVYHXHUKA-LSHDLFTRSA-N 485.108 5.622 50 40 JKGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3cccc(C)c3)c(OCC)c2)cc1 83301303 PMJPGHWDZLAPOG-BPRIINSWSA-N 490.600 5.335 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C\c2ccc(OC)c(COc3ccc4ccccc4c3)c2)c1 102026847 XPAZFJFLFHMOJV-RHANQZHGSA-N 470.525 5.209 50 40 JKGB C[C@H](Cl)CN(Cc1cc(O)c(CN(C[C@H](C)Cl)C[C@@H](C)Cl)cc1O)C[C@@H](C)Cl 104039222 IFUUBDRVHHROIC-GEEKYZPCSA-N 474.300 5.211 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1 408582000 KUNZBRLXNOEJGS-CPNJWEJPSA-N 484.371 5.598 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1Cl 408612332 YESQVUBULHOULM-KKMKTNMSSA-N 490.774 5.623 50 40 JKGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 408724232 ILMFCALYVJJQFJ-TWKHWXDSSA-N 487.519 5.878 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(CN2CCOCC2)cc1 408728023 UTHHFGHLMQCAJA-AJBULDERSA-N 479.580 5.015 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1Cl 408734715 ISHVMCHJRHQMGC-HZHRSRAPSA-N 452.941 6.926 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408788604 DVANIOCXXWUFLD-KQWNVCNZSA-N 455.602 6.725 50 40 JKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2Cl)c1 408794513 JLFSXNSBHMOUMB-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Br)c1)C(=O)Nc1ccc(O)cc1 408795579 CKDVJICIMOLNGD-LICLKQGHSA-N 483.749 5.933 50 40 JKGB CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(C)cc2)cc1 408830264 PAQCDDUZCPPEDE-PXLXIMEGSA-N 460.961 6.562 50 40 JKGB Cc1cc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(F)cc3)c(C)c2)ccc1Br 408846427 NHOYCJMTNSLEQA-FYJGNVAPSA-N 493.376 6.638 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1 408856076 ISTBWNASDXGPPY-WGARJPEWSA-N 479.330 5.547 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCc1ccc(Br)cc1 408878420 ANGMMSIUTHYYMU-YSMPRRRNSA-N 467.363 5.499 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1 408886033 CXJXRJKBKCAALK-GIJQJNRQSA-N 469.413 5.021 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC(=O)c1ccc(C)cc1 408890254 QJRISQKGZVBMSE-WOJGMQOQSA-N 491.887 5.330 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1 408893595 HCQRTNLHWSNFRP-LGJNPRDNSA-N 457.313 5.294 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cc(C)cc(C)c3)c(OC)c2)cc1 408895480 KTKPNXRIBMHXLP-YDZHTSKRSA-N 474.988 6.653 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(OCc2ccccc2)cc1 408962321 HIVQSSHXEYWJAA-VTNSRFBWSA-N 491.513 6.456 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1Cl 408984810 STEDGXPIDZGROQ-UNOMPAQXSA-N 470.916 6.105 50 40 JKGB Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)cc1 409000563 YVCLBLKNZUHGFR-ZCTHSVRISA-N 491.547 5.539 50 40 JKGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 409177458 FHKDGRAVCSGPNF-KKMKTNMSSA-N 497.338 5.677 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(O)cc1 409219187 KGJKFONXKFIIEA-LFIBNONCSA-N 482.323 5.262 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(Cl)cc1 409224931 NYGYJTACLSCBCY-DEDYPNTBSA-N 489.959 5.529 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 409233120 QNXSYLNCOLYPHX-QLTNSANVSA-N 478.951 6.241 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C 409268333 ZATBVGHLBJSYMF-FDVSRXAVSA-N 493.991 5.445 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 409366814 YSZSMIBMTJPILM-CCVNUDIWSA-N 472.372 5.533 50 40 JKGB COc1cc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c(C(C)=O)cc1OC 1302697 VASAKISLVSVWGT-XSFVSMFZSA-N 461.587 6.205 50 40 JKGB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 1306496 RTLYNOPKCSATJI-LDADJPATSA-N 462.527 5.155 50 40 JKGB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(O)c(OC)c1 1453720 PQVVRQBXHYYRIB-MHWRWJLKSA-N 482.945 5.505 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cc(-c3cccc(OCC(C)C)c3)nc3ccccc23)c1O 2090185 RAZAJCCRLJRXDM-MUFRIFMGSA-N 469.541 5.415 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3cccc(C)c3C)N(c3ccccc3)C2=O)cc1 2225019 NIKPCJDOOPWJIM-ZDDKYUFNSA-N 467.594 5.677 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)N3CCCCCC3)N(c3ccccc3)C2=O)cc1Cl 2370543 YWUDSZZMBDXOQB-QPSWJSTDSA-N 480.033 5.477 50 40 JKGB CCCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OCC 9204774 GPNQBZJMFKEQHL-YDZHTSKRSA-N 498.215 5.092 50 40 JKGB N#C/C(=C\c1ccc(Cl)cc1Cl)c1nc(-c2ccc(-c3ccc(Cl)cc3Cl)o2)cs1 12956311 GBNSWOMDETXVFM-NTUHNPAUSA-N 492.214 8.748 50 40 JKGB N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 13174319 OGMRMFAHZPHGDN-FQEVSTJZSA-N 455.992 5.202 50 40 JKGB N#CC1=C(N)O[C@@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@H]1c1c(Cl)cccc1Cl 16488808 XAOMVATWJGHFGS-SIXWZSSISA-N 453.251 5.182 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(Br)c1O 16943265 JYAHQFOASBHYLK-WLRTZDKTSA-N 458.293 5.259 50 40 JKGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(C)C)cc2)C2=C(CCCC2=O)N1 20347695 LFVYSQXPBZPMFD-AREMUKBSSA-N 471.626 5.919 50 40 JKGB Cc1ccc(Cn2c(SCC(=O)N/N=C\c3ccc(Br)s3)nc3ccccc32)cc1 28351085 VVGLDHFFODCZHO-MSXFZWOLSA-N 499.459 5.459 50 40 JKGB CC[C@@H]1CCc2sc(C(=O)NN/C=C3/C(=O)N(c4ccc(C)cc4)C(=O)c4ccccc43)cc2C1 33014749 KTRYOSUEEYONML-OZHVRZOASA-N 485.609 5.034 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(I)cc1)c1ccc2ccccc2c1 34881149 JPKHRYXBIINWRQ-JLPGSUDCSA-N 487.340 7.088 50 40 JKGB CCOc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1 35074148 RZCHFVUKHXZMTI-QRQIAZFYSA-N 457.530 5.429 50 40 JKGB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N(C1CCCCC1)C1CCCCC1)[C@H](OC(=O)CCl)C2 35262957 SJOHDHIPPUYCTN-MEKIYTOJSA-N 474.107 5.261 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117472 PWNFPJHORRAONB-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1ccc(Cl)cc1Cl 408579842 KJMXXRSKMPBBGB-VIZOYTHASA-N 483.609 8.597 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1)c1ccc(Cl)cc1 408580890 SIPWBZCJMLHJEZ-WOJGMQOQSA-N 459.170 7.399 50 40 JKGB Cc1cc(/C=C(/C#N)Cn2cnc3ccccc32)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 408691823 RZGLYTUOFYGBDO-JWGURIENSA-N 473.536 6.626 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OCC 408795885 WMCVKTVURGGPTC-WOJGMQOQSA-N 455.352 5.575 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1c(C)cc(C)cc1C 408804780 BIEVDNHCIRCBSF-PCLIKHOPSA-N 454.570 5.465 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2cccc(F)c2)c1Cl 408815628 IGQWEKHDWYSJSP-OPEKNORGSA-N 464.280 5.410 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OC 408821851 KVAQLQDKYOFPSA-XSFVSMFZSA-N 462.933 5.872 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl 408837153 ZILCJRABZBNULZ-LDADJPATSA-N 453.325 6.127 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2Cl)cc1 408867520 LEUVREZOBJEMCQ-XSFVSMFZSA-N 495.804 6.638 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2cccc(F)c2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408881759 OKTJDGSSFOZCQF-CXUHLZMHSA-N 455.272 5.897 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1OCc1ccc(Cl)c(Cl)c1 408890182 PFVYRQKWNDNIFY-GZTJUZNOSA-N 487.770 6.780 50 40 JKGB C=CCOc1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1Br 408905302 WUTBDCCVDXHWSD-NHDPSOOVSA-N 467.161 5.240 50 40 JKGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 408912111 LTBBJVOSHIVWHD-VFLNYLIXSA-N 480.395 6.142 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 408986807 NERBLRSWIHVZHM-LICLKQGHSA-N 458.776 6.908 50 40 JKGB Cc1cccc(Cn2cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3)c3ccccc32)c1 409001395 POKAFUSNTRAPCN-FDAWAROLSA-N 460.581 6.169 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1cc(-c2ccccc2)nc2ccccc12 409038552 PFSFNJGFJBHNLD-STBIYBPSSA-N 496.364 6.688 50 40 JKGB C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 409049160 VEDQQIHAEXUVNJ-CXUHLZMHSA-N 488.179 5.386 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Cl)c1 409260977 ZFQZVZZQHIFRGK-WKIKZPBSSA-N 470.356 5.392 50 40 JKGB O=C(CNc1ccc(Br)cc1)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 409352086 YPGXABWHYISPNG-XODNFHPESA-N 495.808 5.668 50 40 JKGB COC(=O)c1ccc(Cn2cc(/C=C(/C#N)c3ccc(Br)cc3)c3ccccc32)o1 409390413 FGUJQOPACSKTTC-ATVHPVEESA-N 461.315 5.896 50 40 JKGB Cc1cccc(NC(=O)NNC(=O)c2cc(-c3ccccc3OC(C)C)nc3ccccc23)c1 673327 XCTWVVLKOVNHNW-UHFFFAOYSA-N 454.530 5.464 50 40 JKGB CCOc1cccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC)c1OCc1ccc(Cl)cc1Cl 706901 YSJAWVKTRFAYSR-NRFANRHFSA-N 489.355 5.226 50 40 JKGB Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 934939 GNMXMVJQJIXGAG-MZOFLMDJSA-N 488.012 5.391 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 1454608 UCNNZUKQUPXNHL-LQKURTRISA-N 464.481 5.622 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 1767506 MAEWCSBVPWARCE-HYARGMPZSA-N 469.541 5.998 50 40 JKGB Cc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)s1 1786238 HSMLQEXKRDZXEI-UFWORHAWSA-N 455.055 5.096 50 40 JKGB CC(C)(C)c1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1 1786337 ARFATHKDRLJWFW-WYMPLXKRSA-N 491.107 6.024 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)c1 2212946 TXONOKJKVLRSPY-DEOSSOPVSA-N 492.044 6.086 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OCc1ccccc1Cl 2775368 VKOCCLPKIWTSGD-LICLKQGHSA-N 497.334 5.825 50 40 JKGB COc1cc(/C=C(\C#N)c2ccccc2)c(Br)cc1OCc1ccccc1Cl 4196274 HPBXHBGOPVEDEN-YBFXNURJSA-N 454.751 6.754 50 40 JKGB Cc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 8763839 BTUPBDBECYOYHT-LZYBPNLTSA-N 461.896 6.260 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)c2)cc1 8860886 OICWZBRNDCAOAM-CJLVFECKSA-N 468.534 5.462 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)c1 12621488 JNYMADYXPDVQHR-RELWKKBWSA-N 473.580 6.967 50 40 JKGB N#C/C(=C\Nc1cccc(F)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 13774040 CHFWMTJQSDYXOF-JLHYYAGUSA-N 468.307 5.795 50 40 JKGB O=C1N/C(=N\c2ccccc2Cl)S[C@]1(Br)[C@H](Br)c1ccccc1 16477255 XPMFDKJJRUWEEV-CZUORRHYSA-N 474.605 5.418 50 40 JKGB Cc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)cc1 20240790 ISPJDINNSFDPQK-DHRITJCHSA-N 470.436 5.549 50 40 JKGB Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 28216240 JWLOIRLEKDMDET-WYMPLXKRSA-N 476.827 5.752 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 34914234 BTJADOWYQVUTEZ-WKIKZPBSSA-N 491.758 6.029 50 40 JKGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 58913521 IHSKIZZQOZLSMW-KBKYJPHKSA-N 493.778 5.152 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(CSc4ccccc4)cc3)o2)cc1 58915988 FEAGXADTEUDHFF-RDRPBHBLSA-N 484.577 6.180 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2cc(Cl)cc(Cl)c2)cc1 59436906 YKVSVSNNUYKDLA-UHFFFAOYSA-N 482.433 5.324 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1 59536161 OBTQLSUUUZEGRN-LDADJPATSA-N 454.891 5.389 50 40 JKGB O=C(O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 101139684 PFNDLHUUVRPUCP-SUHOFRIBSA-N 498.963 6.471 50 40 JKGB O=C(CN=P(c1ccccc1)(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 102141878 ZKARLFLDXUWYIH-UHFFFAOYSA-N 453.566 5.950 50 40 JKGB C(=C(/C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)\c1ccccc1 104145836 OGQLKJNFHLOXLI-BXVZCJGGSA-N 456.569 6.954 50 40 JKGB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NCCCl)CC[C@]4(C)[C@H]3CC[C@@]21C 118923217 QWMAVRKIDZNMQT-XWEDIQBQSA-N 450.195 8.305 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cc(Cl)ccc3N[C@H]2c2ccc(F)cc2)[C@@H]1Cl 245232644 ZFEGTITZQRQEDZ-QNBQWMASSA-N 489.399 7.426 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1ccccc1 408548626 JYOJASHOLXDREC-OYKKKHCWSA-N 470.366 7.254 50 40 JKGB CCOC(=O)c1ccc(COc2ccc(/C=C(\C#N)c3nc4cc(C)c(C)cc4[nH]3)cc2OC)cc1 408606151 OVJPWSGYCODRDG-OEAKJJBVSA-N 481.552 6.008 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)c1 408743844 BXRBWQODHVAFMT-STZFKDTASA-N 476.960 6.262 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)c1 408745971 PQSZVNDLXVTMNJ-ODLFYWEKSA-N 497.378 6.525 50 40 JKGB COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 408767376 WGTSKEPVYIABIF-ATVHPVEESA-N 496.350 5.565 50 40 JKGB COc1cc(/C=C(\C#N)c2ccccc2)ccc1OCc1ccc(Br)cc1Br 408774951 DQOZHJMXQMCJPE-YBFXNURJSA-N 499.202 6.863 50 40 JKGB Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)NC(C)C)cc2Br)cc1 408779657 GZEZOMAEFGNDRD-IUXPMGMMSA-N 492.211 5.531 50 40 JKGB CCOc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 408843887 HMNMNSJUSFFBRE-FBHDLOMBSA-N 466.129 5.120 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1 408883456 SURGGZBASSGIRI-LICLKQGHSA-N 485.754 6.720 50 40 JKGB CCN(CC)c1ccc(C=C(C#N)C#N)c(OCc2ccc(I)cc2)c1 409067459 YFADSWMNWAHITH-UHFFFAOYSA-N 457.315 5.147 50 40 JKGB N#C/C(=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 409077813 GFUKLCHNEGUEDC-XNTDXEJSSA-N 464.821 5.494 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409090687 NHAXCQXXAIAHFV-OVCLIPMQSA-N 496.819 5.930 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OCc1ccc(C(=O)O)cc1 409186702 GQQKEYNUAHLPLH-WQRHYEAKSA-N 497.334 5.825 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2cccc(C(F)(F)F)c2)cc1 409225685 NRNFQXMRKLFRJE-QDTIIGTASA-N 460.839 5.650 50 40 JKGB O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1cccc(OCc2ccccc2)c1 409254246 WOFPLZVQYOUXRI-WPWMEQJKSA-N 494.389 5.287 50 40 JKGB Cc1cccc(COc2ccc(/C=C(/C#N)c3cccc(F)c3)cc2I)c1 409391789 JUZXFQULHIQVAM-JAIQZWGSSA-N 469.297 6.382 50 40 JKGB Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccccc1Br 650771 PRDYZOAAQSCWHY-HSZRJFAPSA-N 479.374 5.460 50 40 JKGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)s3)n2-c2ccc(Cl)cc2)cc1 1815987 OMBGPCHEZJBPOV-DHRITJCHSA-N 498.033 5.209 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccccc1Cl 2128742 JTRWDPHBDWWRKW-RUZDIDTESA-N 476.916 5.265 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OC(=O)c1ccccc1Cl 3115108 JAAJRFLLHBQQIH-UXHLAJHPSA-N 486.955 5.804 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 3115611 PHMWSPLVWRQBBE-RDRPBHBLSA-N 497.507 5.059 50 40 JKGB Cc1cc(SCC(=O)N/N=C/c2ccc(Br)cc2)c(C)cc1Br 3235761 YBKFFPKPCZKORC-AWQFTUOYSA-N 456.203 5.071 50 40 JKGB Cc1cc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(SC(F)F)cc3)o2)n(-c2ccccc2)n1 8692044 BUGBPHJTKKXXNZ-NBVRZTHBSA-N 476.508 6.301 50 40 JKGB CC(C)(C)[C@H]1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 8783226 DCDCHBSBVCLMAN-KNYRIAMHSA-N 465.424 7.595 50 40 JKGB COc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1COc1ccccn1 9145014 QHHVLOMULQZNMZ-LGJNPRDNSA-N 451.935 5.301 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(Cl)ccc1OCc1ccccc1 9204202 PHWZNMMKKYDYHT-AFUMVMLFSA-N 457.755 5.374 50 40 JKGB C[C@H]1Cc2cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)ccc2O1 10299235 ZQNZPBBRPGTMSQ-WBBAFLOHSA-N 489.000 6.294 50 40 JKGB COc1ccccc1OCC(=O)N/N=C/c1c(Br)c(C)n(-c2cc(C)ccc2C)c1C 20243728 UUUKRSPVAPOONK-LGJNPRDNSA-N 484.394 5.011 50 40 JKGB C/C(=N/NC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 22754453 ZZDCZLDWZDDOJZ-NVJOKUIPSA-N 495.193 6.707 50 40 JKGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 33519713 NMMUBNVBAGKXGU-XODNFHPESA-N 479.367 5.719 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OCC)c1OCc1ccc(Cl)cc1 34882242 FQAPFRBKQMKSGE-IWIPYMOSSA-N 473.956 6.809 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc2ccccc2[nH]1 50632364 XDEYDWGTYIJNJT-UQQQWYQISA-N 457.533 6.785 50 40 JKGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 50954766 MRLBWYAYLBAHSN-LQKURTRISA-N 466.566 5.538 50 40 JKGB CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 59333986 KNVCMWPNPJSZCR-AUWJEWJLSA-N 454.151 5.330 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(C(=O)O)cc1 59335658 BGHLTHJHAZVAAJ-JLPGSUDCSA-N 452.510 5.546 50 40 JKGB Cc1cc(=O)oc2cc(N/C=C(\C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)ccc12 95483566 AMENXAJONHEFJR-FOWTUZBSSA-N 453.479 5.308 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 107702601 QKHCTSGEVQDYER-WQRHYEAKSA-N 480.351 5.865 50 40 JKGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2[C@H](C)CC1(C)C 208330130 YOZZJCVPUIABTG-LTKMBJGESA-N 456.417 6.960 50 40 JKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 408599848 MOMUGIIAPQTCEN-FDAWAROLSA-N 471.000 7.134 50 40 JKGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 408615396 PWDDMAYHPFUCIN-MZJWZYIUSA-N 486.355 5.060 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)c1 408742968 CYRQAPOOWDUVPW-OYKKKHCWSA-N 497.392 7.035 50 40 JKGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 408796125 OFCVPTTUDYYQSW-KGENOOAVSA-N 472.928 5.485 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 408796680 YUKRSXBGKMQDEI-VXLYETTFSA-N 496.350 6.589 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(OCc2c(C)ccc3ccccc23)c1 408816887 SOPOCKABSMRPLE-PCLIKHOPSA-N 476.576 6.898 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)cc3)c(C)c2)cc1 408847873 WKKJBLBQEOPZPB-PXLXIMEGSA-N 460.961 6.480 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1Cc1cc(C)cc(C)c1 408867444 MLYIGUPPLZTFSG-SRZZPIQSSA-N 479.407 7.064 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1cc(C)cc(C)c1 408878973 CBIANFSWFQYGMG-ZVHZXABRSA-N 489.015 7.043 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCc1ccc(Cl)cc1Cl 408887731 QRXSTJCKRDBXOW-RQZCQDPDSA-N 487.770 6.780 50 40 JKGB O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccccc1 408889795 HEGVESHMWPQNGK-ZMOGYAJESA-N 488.179 5.555 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Br)cc1 408923807 KISHZFNPEXHFRO-MHWRWJLKSA-N 499.752 5.964 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1Cl 408938914 MGCOQUAMAASEIE-KVSWJAHQSA-N 476.886 5.164 50 40 JKGB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Br 408984513 RQOXMMMDIBETTG-MLPAPPSSSA-N 454.151 6.009 50 40 JKGB Cc1c(-c2ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c3ccccc3Cl)o2)cccc1[N+](=O)[O-] 409170670 WFCLQGADBVKLOA-WSSSDRMFSA-N 496.951 5.111 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)c(C)c1 409198909 AFKGALZMWCKMGB-LGJNPRDNSA-N 469.994 5.085 50 40 JKGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c(O)c1 409391627 KHQZHSINHSYISD-BRJLIKDPSA-N 489.753 5.160 50 40 JKGB O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(OC(F)(F)[C@H](F)Cl)cc1 1795235 DSZQXKIFWWHAOJ-YOEHRIQHSA-N 498.832 5.653 50 40 JKGB N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2269220 YVVWARJMHCRGNS-NLTRVXJZSA-N 488.012 5.125 50 40 JKGB Cc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 6177759 XFYMPDRKKLFKNV-LGJNPRDNSA-N 480.848 6.687 50 40 JKGB COC(=O)c1cc(OC)c(OC)cc1N/C=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 9057849 ZXNGCZPWLVBXSE-JLHYYAGUSA-N 490.368 5.897 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 9310786 KLXAPLPXEANKQI-MOHJPFBDSA-N 471.560 6.787 50 40 JKGB CC(C)(C)c1ccc(Oc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2[N+](=O)[O-])cc1 33525779 GSIRBKPTRLIXEJ-AQTBWJFISA-N 475.932 6.884 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)cc1 59248460 WTTRNHMSUBXARS-XFXZXTDPSA-N 494.197 7.046 50 40 JKGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 67321641 MYIRVKFXDUJNEP-WFLNPVHLSA-N 488.547 6.325 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@@H](c3ccccc3)Nc3ccc4ccccc4c3[C@@H]2[C@@H]1Cl 101076840 MNJHTWREHWCETR-GCCRDNTHSA-N 487.024 7.787 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1 107879214 ALOLGXPJHDDXIG-NDENLUEZSA-N 458.359 6.585 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 408529417 JNHIIZLALBGCLR-IURWMYGYSA-N 468.454 5.410 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)c1ccc(Cl)c(Cl)c1 408587080 PVXZJQTUDCJXEE-OCKHKDLRSA-N 484.180 7.271 50 40 JKGB Cc1ccc(-c2cc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3C)nn2-c2ccc(C)cc2)cc1 408724190 HIZUKQPRQWOEJA-JVWAILMASA-N 453.502 5.137 50 40 JKGB O=C(N/N=C/c1cccc2ccccc12)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1 408725852 QHXZYMOHJBBPOO-RUMWWMSVSA-N 466.544 6.610 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 408731299 JNGDDTMZJCLJRG-JDCMOKTRSA-N 455.561 6.884 50 40 JKGB COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br 408744159 DGXNMLMREXWNBG-WDZFZDKYSA-N 470.548 5.419 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2)c(Br)c1 408744375 KVCMZCCIWMMIEE-ODLFYWEKSA-N 481.777 6.536 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1 408788127 IMAVGDNACMTQFQ-YBFXNURJSA-N 481.335 6.125 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)c(C)c1 408797810 SSOKKHJEXWNABL-VXLYETTFSA-N 485.798 7.388 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 408802934 JHVLCQDPHQTSIU-DEDYPNTBSA-N 491.931 6.080 50 40 JKGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1Cl 408825237 AVWSRHNMTGAOFI-DEDYPNTBSA-N 481.379 6.905 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1 408827477 HQKWYURIOGZLAM-XAYXJRQQSA-N 477.630 5.050 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)c(Br)cc1OCc1ccccc1 408849888 AIYMGUKKGHHGQY-CVKSISIWSA-N 483.362 5.199 50 40 JKGB Cc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408852426 KTKVVXWAOMMBKZ-GATIEOLUSA-N 499.017 5.298 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cc1ccccc1F 408867338 JPQRHRUFIRLLEK-YBFXNURJSA-N 454.423 5.990 50 40 JKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2Cl)c1 408870488 FJFXYYYOKKYYDR-KEBDBYFISA-N 469.799 7.400 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2cc(C)cc(C)c2)cc1 408880788 HIWGROHDOAXKFU-HZHRSRAPSA-N 489.413 6.601 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 408885506 BDADGUDQACNDRB-WOJGMQOQSA-N 461.861 5.322 50 40 JKGB CCN(CC)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)cc1 408994166 GSGHQKDLEFWFTP-JVWAILMASA-N 452.986 5.123 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 409038573 AAGDFHVYQXMHHP-RQZCQDPDSA-N 491.296 7.137 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc(Cl)cc1 409148958 UZQGASBHKNZTBL-HSZRJFAPSA-N 498.410 5.701 50 40 JKGB CC(=O)OCCCCCCCC=CCCCCCCCCCCCO[Si](C)(C)C(C)(C)C 2362804928 UGFXACVDHFVDMM-UHFFFAOYSA-N 468.839 9.369 50 40 JKGB N#CC1=C(SCC(=O)OCc2ccccc2)OC(c2ccccc2)=C[C@@H]1c1ccc(F)cc1 2230231 AVAGTIMVAQBEAB-HSZRJFAPSA-N 457.526 6.192 50 40 JKGB O=C(c1ccccc1)[C@H](Br)[C@@H](Br)c1ccc(-c2ccccc2Cl)o1 2413055 VQOVWNLKBAYYMC-ZWKOTPCHSA-N 468.572 6.682 50 40 JKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1 2553690 XVWPLRHLEDCXGN-UDWIEESQSA-N 466.006 6.420 50 40 JKGB N#C/C(=C\Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1nc2ccccc2o1 3037230 BFWZYPTVTZRNIF-CCEZHUSRSA-N 450.907 5.259 50 40 JKGB O=C(N/N=C/c1cccc2ccccc12)c1ccc(C(=O)N/N=C/c2cccc3ccccc23)o1 8398215 AMGLBHLWMCYDBH-YAGSLNJISA-N 460.493 5.114 50 40 JKGB C/C(=N\NC(=O)c1cc(-c2cc(C)ccc2C)nc2ccccc12)c1cc(Cl)ccc1Cl 8454664 OMWKZUJRXQWSCB-OCSSWDANSA-N 462.380 6.979 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C 8812775 JIXDDDCWLGXDMN-BRJLIKDPSA-N 474.786 5.591 50 40 JKGB CCCCOc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 9009741 OQCCZAQHSZSRBD-SAPNQHFASA-N 488.525 5.980 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccc([C@@H](C)CC)cc2)ccc1OC(=O)c1ccccc1 10059546 KUROFMIOJAOOTP-MJDZGMBVSA-N 474.557 5.347 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N2CCc3ccccc32)ccc1OCc1ccc(Br)cc1 10130148 MQGVNPYOPSCMMO-KGENOOAVSA-N 489.369 5.533 50 40 JKGB N#C/C(=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccc(F)cc1 16525787 GCRQOONJCWTBOT-HKWRFOASSA-N 456.904 6.757 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C)N=C3CC(C)(C)CC(O)=C32)cc1 100706478 RNGIDIFKHGVEMT-VWLOTQADSA-N 487.625 6.281 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 207832664 ABMXMTOMNOVYAV-BKUYFWCQSA-N 457.486 5.345 50 40 JKGB CC(=O)Oc1c(Br)cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1Br 408754773 RNNWYRFPQJZPFZ-FOKLQQMPSA-N 490.151 5.054 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc3ccccc3c2)c1 408760289 WEEVUSOQAKNRKB-XQNSMLJCSA-N 498.560 5.552 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C)c(C)c2)cc1 408799066 GSRICIGQYASSNZ-LPYMAVHISA-N 475.386 6.499 50 40 JKGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 408803017 KJUSKGIUKGJXQJ-ISPQVQRCSA-N 458.312 5.219 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(C)c(C)c1 408803132 LNEWNOVJVXJADS-YDZHTSKRSA-N 474.988 6.789 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cccc(C(=O)O)c1 408815049 TXXMZYRYYKCZPQ-ROTLSHHCSA-N 480.318 5.065 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1ccc(C)cc1 408837927 PPQMPRZXKAWUKP-LGJNPRDNSA-N 487.781 5.762 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1c(C)ccc2ccccc12 408855009 CIIOSQXHENNUEV-PXLXIMEGSA-N 466.512 6.421 50 40 JKGB Cc1ccc(Cl)cc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(=O)(=O)c1ccccc1 408860020 QTCJXNUASLMJRZ-UHFFFAOYSA-N 490.069 5.552 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(OCc2ccc(Cl)c(Cl)c2)c1 408865720 DRZGSIZWUTYZRO-GZTJUZNOSA-N 471.315 6.266 50 40 JKGB CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1 408894907 JSCWVOUJEGXQBS-ODCIPOBUSA-N 494.998 5.681 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 408986115 ZPMFERCXWCOIRF-GRSHGNNSSA-N 499.369 6.964 50 40 JKGB N#CC(C#N)=Cc1ccc(Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)o1 408990192 JTVZKJBAHZAUNZ-UHFFFAOYSA-N 454.492 5.272 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 409070494 YNFLTRXDZWEYQD-NBVRZTHBSA-N 482.945 5.052 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OC)c1OCc1cccc(F)c1 409075166 PEVOJBRVAJQMTG-OEAKJJBVSA-N 456.517 5.996 50 40 JKGB CCc1ccccc1N(CC(=O)N/N=C(\C)CC(C)(C)c1ccccc1)S(=O)(=O)c1ccccc1 409185332 XKDZYMAWZJXBKN-QUPMIFSKSA-N 491.657 5.304 50 40 JKGB O=C(/C=C/c1ccccc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Br)cc1 409226247 QGCMAJMKSFHXLW-KWFUXGMBSA-N 483.749 5.485 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(F)c2)c(Br)c1)c1ccccc1 409250581 XKIGAURUQZUQPM-CTPANLQCSA-N 479.349 5.952 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)ccc1OC 409310230 SLECVDGTSGDTGK-VYYCAZPPSA-N 473.356 5.744 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 409376487 YLCMEKUKOWPVDM-SFQUDFHCSA-N 483.421 5.408 50 40 JKGB N#CC1=C(N)Oc2c(sc3ccccc23)[C@@H]1c1ccccc1OC(=O)c1ccccc1Cl 1820600 VPPLRIOECLXDNL-OAQYLSRUSA-N 458.926 5.992 50 40 JKGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)o2)cc1Cl 2162114 MURNBUXHBVSJMW-CCVNUDIWSA-N 472.884 6.050 50 40 JKGB O=C(N/N=C/c1c(O)c(Br)cc2oc3c(c12)CCCC3)c1ccc(Br)cc1 2212615 DLABKSMIODTMSL-AUEPDCJTSA-N 492.167 5.306 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1)c1ccccc1Br 3084174 DCCSWHIRBGQIBH-ZMOGYAJESA-N 456.727 5.119 50 40 JKGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)S(=O)(=O)c1ccc(Cl)cc1 3635783 BXWCMVWRTHUZLT-UCQKPKSFSA-N 485.952 6.277 50 40 JKGB C/C(CC(=O)Nc1ccccc1Br)=N\NC(=O)C(c1ccccc1)c1ccccc1 12362266 NHTWZIAZXCYZIV-WPWMEQJKSA-N 464.363 5.102 50 40 JKGB C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1cccc(C(F)(F)F)c1 12633252 SYOADWSMKUOOLG-FJSRJGELSA-N 475.511 5.028 50 40 JKGB O=C(NNc1nc(-c2ccc(Cc3ccccc3)cc2)cs1)c1ccc(Br)cc1 13382132 NYOMQCZCWPNNBP-UHFFFAOYSA-N 464.388 5.920 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1cccc(C(F)(F)F)c1 14361458 CVEPLCGGEHYSOL-GHUUQALQSA-N 472.507 5.895 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 20197820 KYMFOPWZXASQJB-JFLMPSFJSA-N 457.357 6.125 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1cccc(C(=O)O)c1 33746857 XFLDVIMCLUEDDI-ODLFYWEKSA-N 496.332 6.328 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cccn3-c3ccc(I)cc3)[nH]c2c1 33871189 IFARXLHFJARRQH-QINSGFPZSA-N 450.283 5.331 50 40 JKGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1Cl 58913557 NXXXFOGWNRFZIN-KBKYJPHKSA-N 493.778 5.152 50 40 JKGB CC12C[C@H](Br)[C@@H](Br)CC1(C)C[C@@H](Br)[C@@H](Br)C2 101046563 CXHKDKVYYZDCRY-ZYOVFQDESA-N 481.892 5.641 50 40 JKGB Cc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)c(C)n1-c1cc(Cl)cc(Cl)c1 106953436 IAJVBZWEFNNOMC-VFLNYLIXSA-N 491.378 5.665 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 113831961 PRWANYZUOHXSFD-LFIBNONCSA-N 494.429 6.745 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccc(F)cc1 408566581 ANXXOLZHGYLJKJ-PXNMLYILSA-N 496.311 6.255 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4Cl)cc3)CC2=O)cc1 408607609 NIOSCHXUIADJLA-SFHVURJKSA-N 484.383 5.377 50 40 JKGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 408719501 QUFMRLPESGCXJD-LGJNPRDNSA-N 459.398 5.956 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(C)cc1 408746950 IINWNNJPZJEMKE-STZFKDTASA-N 491.385 6.281 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(F)cc2)ccc1OCc1ccc(I)cc1 408785256 XPNQWVVNXXWQHK-UNOMPAQXSA-N 485.296 6.082 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)c1 408790772 YLXNEZHOMLQIDB-UDWIEESQSA-N 495.804 6.844 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)c1C 408794256 IPIIGXDQKAJKHF-RGVLZGJSSA-N 479.349 6.330 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1c(C)ccc2ccccc12 408804459 GHHRGIRCRGECJA-PXLXIMEGSA-N 482.967 6.935 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1cccc2ccccc12 408880095 HCOPBCUKTUDSJP-RDRPBHBLSA-N 468.509 5.230 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 408891181 MQSKKZXVRIHIOY-LDADJPATSA-N 451.309 6.067 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(Cl)cc1Cl 408896623 SMQGHFPEQBOVSJ-WKULSOCRSA-N 479.363 6.498 50 40 JKGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408898545 WSIGBWVPEDVOCA-ONNFQVAWSA-N 471.094 5.218 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)C(O)(c1ccccc1)c1ccccc1 408909388 GXGJTANZEZXIFH-BIZUNTBRSA-N 493.994 5.729 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1ccc(Cl)c(Cl)c1 408965839 IYVWQVNOYRUVEO-KVSWJAHQSA-N 472.303 5.356 50 40 JKGB COc1cccc2cc(C(=O)N/N=C/c3ccc(OCc4ccc(C)cc4)c(Br)c3)oc12 408971253 DYZIVKWYOJCISR-MZJWZYIUSA-N 493.357 5.855 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1F 408985088 VBRFQMIKACDTHN-PXLXIMEGSA-N 460.936 6.641 50 40 JKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(SCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)c1 408990609 LDJZJUNQYIZKTB-DEDYPNTBSA-N 486.553 5.488 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)c(C)c1 409065448 LUUXOJMAWYXPDN-CPNJWEJPSA-N 466.946 5.270 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OCC)c1OCc1ccccc1F 409068839 JCWWNBGPWXNQKS-PXLXIMEGSA-N 490.962 6.731 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccc(F)cc1 409085876 SWWFVDXHJJYINM-NTEUORMPSA-N 482.811 5.633 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)NCCCc1ccccc1 409235219 OFBBGYPPJZOASB-HMAPJEAMSA-N 493.376 5.823 50 40 JKGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 409243992 WAPVLQVXIOXPSQ-XGICHPGQSA-N 473.234 5.110 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc2c(c1)OCO2 409252315 XFYUWDYNMRRNKG-MFOYZWKCSA-N 453.420 5.387 50 40 JKGB Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Cl 409265725 OGINADWNHUKBBD-LDADJPATSA-N 463.896 5.351 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)ccc1OCc1cccc2ccccc12 409360166 LZUUAYTYNZJDCD-FSGOGVSDSA-N 452.554 5.819 50 40 JKGB N#C/C(C(=O)c1ccccc1)=C1/S[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2337753 WQJMRKBCMDSXEB-XKCZREFCSA-N 479.388 6.303 50 40 JKGB CCCNC(=O)N(NC(=O)NC1CCCCC1)c1nc(-c2ccc(Br)cc2)cs1 3768118 GXUVTEQQRMKNJH-UHFFFAOYSA-N 480.432 5.046 50 40 JKGB COc1ccc(/C=C(/C#N)c2nc(CSc3ncc(C(F)(F)F)cc3Cl)n[nH]2)cc1 8781462 QEALUSMBTQAABM-SDQBBNPISA-N 451.861 5.237 50 40 JKGB N#C/C(=C\Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 9065472 WAAWEWINERNGRO-NBVRZTHBSA-N 476.388 7.324 50 40 JKGB CCCCc1ccc(N2CSC3=C(C#N)[C@@H](c4c(F)cccc4Cl)CC(=O)N3C2)cc1 12251074 OANSCDZNYOXWRU-SFHVURJKSA-N 455.986 6.041 50 40 JKGB CC(C)c1cc(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2Cl)c2ccccc2n1 13098488 ORTZRGNLDNQWCJ-UHFFFAOYSA-N 460.361 5.285 50 40 JKGB N#Cc1ccc(Cn2cc(/C=N/NC(=O)c3ccccc3Br)c3ccccc32)cc1 20761092 ZTIWQWLLHPGGAT-MZJWZYIUSA-N 457.331 5.088 50 40 JKGB CC(C)Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2OC(=O)c2ccco2)C(C#N)=C(N)O3)cc1 36618847 LQPRORZVTUBKPC-QHCPKHFHSA-N 480.524 5.306 50 40 JKGB Cc1cccc2c(-c3ccccc3)c(-c3ccccc3)n(CCC(=O)N/N=C/c3ccc(O)cc3)c12 39983665 JSYSJHCJWNZQAI-RUMWWMSVSA-N 473.576 6.530 50 40 JKGB COc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)cc(Cl)c1OCc1ccc(F)cc1 41120627 YQCVEXSBFSRYSO-LICLKQGHSA-N 493.947 6.872 50 40 JKGB O=C(Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(Br)cc1 59503576 KNUSXYIMQDPDMO-BRJLIKDPSA-N 492.156 5.739 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1cccc(C(F)(F)F)c1 59921541 JAFQNWXMDQAKMY-UVHMKAGCSA-N 477.280 5.811 50 40 JKGB Cc1ccccc1N/C(SCC(=O)Nc1c(C)cccc1C(C)C)=C(/C#N)C(=O)c1ccccc1 96838588 OWIHJOGIPQPTIR-RMLRFSFXSA-N 483.637 6.829 50 40 JKGB Cc1ccc(/N=N\C(=N\NC(=O)c2ccccc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 104315736 HMZARWJBXATASW-FUJDESFPSA-N 477.572 5.813 50 40 JKGB CCN1c2cc(C)c(/C=N/NC(=O)COc3ccc(Br)cc3)cc2[C@@H](C)CC1(C)C 223574076 YMKOOVZKHGICFO-HSOLMKNUSA-N 472.427 5.399 50 40 JKGB O=C(COc1ccccc1)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408534160 VCRUKYWPYAXHTJ-UVHMKAGCSA-N 452.341 5.526 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1Cl 408580714 RDRRLHPLAOVCMY-RQZCQDPDSA-N 493.217 8.342 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1Cl 408726445 RQMFCTSEVYYEMP-MTJSOVHGSA-N 495.406 7.134 50 40 JKGB N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)Nc1ccc(Br)cc1 408769099 NTSVYKIARHPGGY-QBFSEMIESA-N 465.332 5.615 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc1OCC 408780801 KZQMUIWYMYKPGK-RGEXLXHISA-N 498.421 5.804 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)Nc1ccccc1F 408808027 CTXZTINOEUVSSL-BOPFTXTBSA-N 469.285 5.852 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(OCc2ccc(Cl)c(Cl)c2)c1 408814521 ZINCZALZLLULCY-XDHOZWIPSA-N 467.352 6.435 50 40 JKGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 408844239 NAZBXTYPNYGBNE-UHFFFAOYSA-N 497.165 5.627 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1F 408878205 YDQJDGJMZDWDLH-GZTJUZNOSA-N 451.841 5.512 50 40 JKGB Cc1cc(C)cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1 408884170 XWLQKZOBISQRND-UDWIEESQSA-N 495.804 6.844 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1ccc(Br)cc1 408891590 SWWDFRXLBROMEI-CAPFRKAQSA-N 497.348 6.367 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)c1 408897688 SMVNABSURFPIRV-RGVLZGJSSA-N 484.905 7.100 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)c(C)c1 408908270 QYRUADDXPOALOG-UZWMFBFFSA-N 496.607 6.217 50 40 JKGB Cc1cc(/C=N\NC(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408942030 KXHSWPFFYQOBTQ-MYKKPKGFSA-N 489.757 5.364 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3cccc4ccccc34)c2C)c1 408968572 XMIDKGHDZRVZSN-RDRPBHBLSA-N 453.542 5.117 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408999097 KDEWWKDIDRFFDW-AFUMVMLFSA-N 489.444 5.060 50 40 JKGB N#C/C(=C\c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12)C(=O)NC1CCCCC1 409063108 HANXPFUDDSPCMA-FOWTUZBSSA-N 450.901 5.570 50 40 JKGB Cc1ccc(Sc2ccc(/C=N/NC(=O)COc3ccc(Br)cc3)cc2)cc1 409229629 SBFLSGOZNTUFKE-ZVHZXABRSA-N 455.377 5.438 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1cccc(C)c1 409247188 GTARNIWRJNFJIC-MBTHVWNTSA-N 499.380 5.567 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)c1 409263048 KBGVQUDWYBWCTI-FYJGNVAPSA-N 473.960 5.828 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2)cc1Cl 409263861 CLBXDBZQWCBMDW-ZMFRSBBQSA-N 456.329 5.083 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)cc1 409266468 ZAIZNWMWXGPWJO-UYRXBGFRSA-N 475.932 5.220 50 40 JKGB O=C(CNC1CCCCC1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 409382754 OLVQSDYTISDICY-LGJNPRDNSA-N 478.818 5.054 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)[nH]c2c1 409393220 VWLKDSLLSPQQGD-GDNBJRDFSA-N 457.402 5.244 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccco3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 1822135 NYUQWSDSZHWILY-UOFJPCGLSA-N 499.640 6.041 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccccc1 2165708 GVPPMKNQHZDCGH-CVKSISIWSA-N 454.979 5.560 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)sc(C(=O)OC)c1C 2366263 PHTDBOZAYFCWDR-PTNGSMBKSA-N 483.571 5.129 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2C)cc1 6279980 FISFZWCOEIHCKY-OCSSWDANSA-N 462.553 5.021 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3cccc(Br)c3)c2C)cc1C 6280478 QGUQDXNJLONMHB-LGJNPRDNSA-N 484.463 5.857 50 40 JKGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccn(Cc2ccc(Cl)cc2)n1 8396355 RRIXXPXXJXECBV-OKCVXOCRSA-N 498.949 5.341 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OC(C)C 8721091 FORJHPHYIBQKHE-FQEVSTJZSA-N 484.478 5.295 50 40 JKGB CCCCCCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 8836190 KTOOPWFUJXXCMP-KNTRCKAVSA-N 476.558 6.432 50 40 JKGB COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccccc3)n2-c2ccc(Cl)cc2)cc1 9762806 ONDXJRCWHIIXNE-PKAZHMFMSA-N 492.004 5.229 50 40 JKGB N#C/C(=C/Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 11853133 ZPJPNASPXXMFBU-NTMALXAHSA-N 474.722 7.766 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)c1 12273770 DBMIJHYBVLQVQD-MZOFLMDJSA-N 488.012 6.022 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 13839123 HTRGADDUZAVPDV-AFUMVMLFSA-N 457.755 5.374 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1OCC(=O)c1ccc(Cl)cc1 33932614 KWIVTKIKFXVHSB-FYJGNVAPSA-N 486.980 6.798 50 40 JKGB CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1OC 33934587 QLTMYWGVFGDGGG-JXAWBTAJSA-N 482.602 5.537 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 35088059 RLFYAJQGTJKSAM-JCMHNJIXSA-N 496.548 7.126 50 40 JKGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2 38201362 AQMMNGMVQLONMR-XMHGGMMESA-N 482.565 5.062 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(O)CCCC3=N2)c1C 104090739 VAYSZJJVROPPHX-DEOSSOPVSA-N 478.017 6.598 50 40 JKGB COc1ccccc1[P@](=O)(CC[P@@](=O)(c1ccccc1)c1ccccc1OC)c1ccccc1 104224837 VQWBGASXMXZTEZ-AQOUDTPCSA-N 490.476 5.032 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 108074131 RPQCQAXFFFVOLQ-XLNRJJMWSA-N 495.623 7.490 50 40 JKGB C=C[Si](C)(C)O[Si](CCCOC(=O)C(=C)C)(O[Si](C)(C)C=C)O[Si](C)(C)C=C 196093261 QPMLHNVAWXBESP-UHFFFAOYSA-N 458.852 5.275 50 40 JKGB O=C(Cl)/C=C/c1ccc(OCc2cccc(Br)c2)c(I)c1 226334648 OCSQAHBSFYBDHV-FNORWQNLSA-N 477.523 5.411 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1ccccc1C#N 408540900 CPOQFQUPXXWOMY-FBHDLOMBSA-N 489.325 5.671 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2cccc(F)c2)cc1 408569824 QGISGDSJLWDYHZ-JFLMPSFJSA-N 482.602 5.412 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1 408581522 XPDVUWBPFHGGFS-CIAFOILYSA-N 482.805 7.453 50 40 JKGB Cc1c(/C=C(\C#N)c2ccc(Cl)c(Cl)c2)c2ccccc2n1Cc1ccccc1Cl 408587616 SLUHVPYETQAMNS-XDHOZWIPSA-N 451.784 8.022 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3ccccc3)cc2-c2ccc(-c3ccccc3)cc2)cc1 408724896 MTTBINUHJLKFOX-NJZRLIGZSA-N 456.549 6.279 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c1 408744281 KBNJPYFIPTUXJL-ZDLGFXPLSA-N 455.316 6.566 50 40 JKGB Cc1ccc(Cn2cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c3ccccc32)cc1 408751262 YOBNJZUMWOKIRP-RGXNXFOYSA-N 473.576 5.384 50 40 JKGB CC(C)(C)OC(=O)N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1 408808850 FUCZOLDOGNDFLQ-SSDVNMTOSA-N 484.188 5.649 50 40 JKGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OCC 408825470 KBTFWQCHIWXSJA-CJLVFECKSA-N 486.955 5.875 50 40 JKGB O=C(N/N=C/c1cccs1)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1 408838448 FLRWOPDRJMNKSS-FOKLQQMPSA-N 484.946 5.541 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccccc1C#N 408851706 MXBUDTFSQIERNZ-MNBJERMJSA-N 479.536 5.775 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1F 408870652 WYDHGPVNZHPUJD-KGENOOAVSA-N 470.931 7.065 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)c(Cl)c2)cc1 408876072 MMTGFCHWWMJPGL-YDZHTSKRSA-N 458.945 5.880 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1OCc1ccccc1 408883450 UQDBZYLECUULHR-HYARGMPZSA-N 460.961 6.426 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1cccc(Cl)c1 408895981 OSIDBPDMEDKAFT-UDWIEESQSA-N 481.379 6.825 50 40 JKGB CCc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccccc2)cc1 409026695 VJMMHIBJVGQJGC-UHFFFAOYSA-N 497.705 6.221 50 40 JKGB N#CC1=C(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)NC(=O)C[C@@H]1c1cccs1 409148463 PWHZDPDPQYASGM-NSHDSACASA-N 471.913 5.131 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c2)c(C)c1 409264909 MUJDFNMADVHMLM-UCQKPKSFSA-N 453.542 5.483 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1)c1nn(-c2ccccc2)c(N)c1C#N 409335275 KUVGQAXQAIDZJN-DEDYPNTBSA-N 451.917 5.623 50 40 JKGB COc1cc(OC)c(/C=C(/C#N)c2ccc(I)cc2)cc1Br 409368533 AUFHWXDIZLFGSD-QPEQYQDCSA-N 470.104 5.135 50 40 JKGB O=C(CNc1cccc2ccccc12)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 409391240 IGLIVWCBCAPDSW-FJEPWZHXSA-N 478.379 6.288 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc(Br)ccc1OCc1ccccc1F 669273 RQBHNHWQAJGCKX-JOCHJYFZSA-N 497.364 5.618 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N1C(=C(C#N)[C@@H]2c2ccccc2)N=C(N)c2c1sc1c2CCCCC1 2185968 OALOBTRMFZNKSQ-QFIPXVFZSA-N 468.626 5.718 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)c1C 2234711 LYRKNPHBYOWECM-ABPPERTMSA-N 488.012 6.022 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)ccc1OC(=O)c1ccc(F)cc1 2287637 GKWOEEVBJOEOST-MUFRIFMGSA-N 487.487 5.171 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 3192627 GJWWETYISTUCOZ-PGGKNCGUSA-N 458.128 6.089 50 40 JKGB COc1ccc(C(=O)[C@@H](Br)[C@H](c2ccccc2)[C@@H](c2ccccc2)[N+](=O)[O-])cc1 4416984 QUHIKLXZWCRTRL-FDFHNCONSA-N 454.320 5.443 50 40 JKGB N#C/C(=C\c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 8387345 FOYUOBSNBCSVTA-NLRVBDNBSA-N 462.618 8.714 50 40 JKGB N#CC1=C(Nc2ccccc2)SC=C(c2ccc(Cl)c(Cl)c2)N=C1N1CCOCC1 8667160 HVNXIIGCXFDZHB-UHFFFAOYSA-N 457.386 5.617 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2c(Cl)cccc2Cl)cc1)c1nc2ccccc2[nH]1 9187417 TVAAAYYWQDURLA-FOWTUZBSSA-N 463.324 5.951 50 40 JKGB Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4[nH]3)c(Oc3ccc(Br)cc3)nc12 9281364 JAUJSCHANPNZNI-DTQAZKPQSA-N 498.340 5.498 50 40 JKGB COc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 9428313 QCQYGUQCUBDEHW-ZIQTWHDPSA-N 483.593 5.377 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1 13297952 PZZBEQWVRVQUHF-DEOSSOPVSA-N 492.044 6.086 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2 14152096 ZKYGPMYPPKTZIL-FYJGNVAPSA-N 487.588 5.919 50 40 JKGB CCO[C@H]1Oc2ccc([N+](=O)[O-])cc2C(=O)/C1=C\Nc1nc2cc(C)c(SC#N)cc2s1 16687946 HLVZLORZLIHCGB-PCLFDXGNSA-N 468.516 5.020 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(C)c1 20194570 PPIGEMSAYBZVDN-IPPBACCNSA-N 464.396 6.306 50 40 JKGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)[C@]1(C)CC[C@@H](c2nc3ccccc3[nH]2)C1(C)C 22704671 CBYGKVKPYJMJIG-HKPSGJQJSA-N 468.605 5.426 50 40 JKGB Cc1ccc(OCCOc2ccc(Br)cc2/C=N/NC(=O)Nc2ccccc2)cc1 26593410 RBERCANIBKXBCZ-PCLIKHOPSA-N 468.351 5.371 50 40 JKGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)c2C)c1 58913744 BXLDPXSNVXIRLQ-FDAWAROLSA-N 494.595 5.379 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 58914621 RVVXFSUJYFNSJP-VROXFSQNSA-N 450.709 5.304 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccc(C)cc1 59117343 HVMKGLHUEZMGAR-CPNJWEJPSA-N 495.362 6.465 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 59296955 FNWACBMPTNPTAX-DEDYPNTBSA-N 451.353 6.680 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl 59425670 BWVXJWYKAGAIAT-LGJNPRDNSA-N 488.327 5.643 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@H]1[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]12 170621504 UYDDPTCNFUMGFE-ORYMTKCHSA-N 485.562 6.572 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1 408591259 SIYUREVMGCEKBS-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(I)cc2)cc1 408745288 QVAUUTCKJMEYLY-ZHZULCJRSA-N 494.332 5.724 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1cccc(C)c1 408747355 MUFFHWKQYSJAPT-UUYOSTAYSA-N 491.385 5.569 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408753632 GYOMOEWEVHHOEB-ZHZULCJRSA-N 476.418 6.700 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1cccc(F)c1 408788114 IKWWLOJWSXKTDW-SRZZPIQSSA-N 478.951 6.619 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)cc2)cc1 408882695 RVBAMEJYKQEREI-DEDYPNTBSA-N 494.332 5.724 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1F)C(=O)Nc1ccc(Br)cc1 408883812 QZELQFBYDXVUGG-LDADJPATSA-N 469.741 6.378 50 40 JKGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2OC)c1 408983749 CGMHMQPVIYLMDP-DEDYPNTBSA-N 458.514 5.146 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)c1 409050045 ZQJUBLOQNZTEPR-CPNJWEJPSA-N 490.357 5.321 50 40 JKGB O=C(/C=C/c1ccccc1)Oc1ccccc1C=NNC(=O)c1cccc(NC(=O)c2ccccc2)c1 409226473 TZSRXAGPZGMKSS-SVRNWXOVSA-N 489.531 5.322 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 409229775 UWDIXHRQENWBRQ-XYGWBWBKSA-N 489.015 6.282 50 40 JKGB O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 409393243 WIVWDCIOMYIWOE-VEILYXNESA-N 496.479 5.578 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccco1 1250267 KEBAEAFCFIBLQY-PCLIKHOPSA-N 465.966 5.122 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2ccc3c(c2)c2ccccc2n3CC)nnc1-c1ccc(C)cc1 1741320 NMNZMXATYCUQEV-STBIYBPSSA-N 496.640 5.644 50 40 JKGB Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 1780252 GCUZJVXINGWGEG-CVKSISIWSA-N 461.978 5.139 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3)o2)sc2c1CC[C@@H](C)C2 1820578 KTUNNOVWZSHKBU-GMYFBSLISA-N 474.582 6.164 50 40 JKGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1c[nH]c2ccccc12 2321091 XSJCHGFEHYYESD-AUEPDCJTSA-N 474.036 5.208 50 40 JKGB O=C(CCl)Nc1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccc(F)cc2)cs1 8754995 VACCAVZPGJVDPX-UHFFFAOYSA-N 491.773 5.742 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1cc2c(ccc3ccccc32)o1 9233911 RDTFHCIKMVHHGY-ALQBTCKLSA-N 493.566 7.506 50 40 JKGB CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccc(F)cc1)=C(C#N)[C@@H]2c1ccc(Cl)cc1 9331122 OCQLAYPVWBQHKV-QHCPKHFHSA-N 496.007 5.916 50 40 JKGB CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3)=C(C#N)[C@H]2c2ccco2)cc1 12250136 ZCLJMPQYBKFMGO-SANMLTNESA-N 498.608 5.549 50 40 JKGB CO[C@@H](C(=O)N/N=C/c1c(Br)c(C)n(-c2ccc(C)cc2)c1C)c1ccccc1 20243797 HPHLSNGLWSUJHP-FDCKDHBTSA-N 454.368 5.003 50 40 JKGB O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1cccnc1 32125474 COYTYZOIZWFZIL-GTWSWNCMSA-N 487.519 5.878 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1cccc(C)c1 34760043 XPCXOTQULKSUCZ-FYJGNVAPSA-N 466.541 5.578 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 35124250 GXUFLKVSRNYTIS-ODLFYWEKSA-N 462.889 5.128 50 40 JKGB N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cccc(C(F)(F)F)c1 35445084 WUMVXAVQKXEPJY-WQLSENKSSA-N 451.231 6.818 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 59436880 FHRPHNBVMWGVDS-BHGWPJFGSA-N 465.178 5.927 50 40 JKGB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 95929390 QQWNMDXUQINVJH-BKUYFWCQSA-N 470.959 6.046 50 40 JKGB C/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(Cl)c(Cl)c1 96398895 NHNSHNATKFUGRW-MXAYSNPKSA-N 496.803 5.602 50 40 JKGB N#C/C(=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)C(=O)NCCc1c[nH]c2ccccc12 108064189 UYFYEEVZXYFSGI-BUVRLJJBSA-N 462.528 5.576 50 40 JKGB O=C1OC(=O)[C@H]2[C@H]1[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 253573675 RRYGIAWZXXLJOD-JMJJJEBOSA-N 482.535 5.386 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1 408583212 SLHAASSVZSXUFR-LDADJPATSA-N 497.776 6.193 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1 408583361 UARMWWQTBFMRFW-CPNJWEJPSA-N 463.331 5.539 50 40 JKGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1 408609579 KGKXFRBALXJQQK-OGLMXYFKSA-N 479.964 5.187 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3C)n2)cc1 408727782 XPBZMTCLWIOWCS-NDZAJKAJSA-N 460.537 5.773 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1cccc(C)c1 408742701 BTIBQJVXIBKAQG-MTJSOVHGSA-N 491.385 6.199 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 408790061 MVZOSMPFFUJFKY-UDWIEESQSA-N 479.349 6.275 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 408796926 PTJMBGNTSYXGCK-UDWIEESQSA-N 481.379 6.689 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 408801556 VSIVPXFSLXFLJN-DEDYPNTBSA-N 461.905 5.935 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1ccccc1F 408815113 RNVWGYWUIIVACC-BOPFTXTBSA-N 469.285 5.852 50 40 JKGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 408828346 DRXJOOPBHSLIPK-LDADJPATSA-N 497.776 6.236 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 408830331 PDERRDYEOLLODX-XIEYBQDHSA-N 494.978 7.044 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccccc1F 408860176 YPIBLIPMOLIGMA-MWLSYYOVSA-N 458.489 5.652 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1Cc1cc(C)cc(C)c1 408869128 RDHOGVMKSUFRCG-WSDLNYQXSA-N 489.413 6.519 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 408881067 LONYVXGJHWVSJK-PYRNPVBESA-N 485.653 5.934 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)cc1Cl 408985669 XLAWWIMWDMIWBS-UNOMPAQXSA-N 470.916 6.105 50 40 JKGB CC(C)Oc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br 409037021 WYLGKEYBHCHLSU-LQKURTRISA-N 488.385 6.215 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 409069867 YDNCNLDAFAQWLB-HZHRSRAPSA-N 479.536 6.031 50 40 JKGB Cc1cccc(COc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2Br)c1 409190931 BQTXVFAITHWVQM-DHRITJCHSA-N 457.755 5.754 50 40 JKGB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)cc1 409226141 SHYXNZRDLKQHHL-LICLKQGHSA-N 496.350 5.571 50 40 JKGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)NCCCc3ccccc3)cc2Br)cc1 409238209 CTXLSVKDBLIBHR-JLPGSUDCSA-N 489.413 5.993 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccc(Cl)cc1 409364689 ORCCOUHOSQIDEN-LSCVHKIXSA-N 454.309 6.374 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccc(C#N)cc1 409370562 AOUFTKXVSAKRKQ-OYKKKHCWSA-N 465.350 7.117 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc(OCc2ccccc2Cl)c1 2077111 MDAOLSDVGUOSMG-DHRITJCHSA-N 468.003 5.771 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 2238143 WLNUNOWEHUOZKF-GUNDDFSMSA-N 453.567 5.314 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccccc1Cl 3033287 VQIUWWMHLKIJQY-MUFRIFMGSA-N 494.975 5.394 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(C(C)(C)CC(C)(C)C)cc3)o2)cc1Cl 3035319 BWBXPSRIXBNHFY-OKCVXOCRSA-N 481.036 7.151 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F 3231426 PXVFCLQXFQZZDI-AQTBWJFISA-N 456.851 6.483 50 40 JKGB O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1cccc(N/N=C/C=C/c2ccccc2[N+](=O)[O-])c1 3275801 FCDVUUAKJBWLCP-IQJNJJJOSA-N 484.472 5.043 50 40 JKGB CC(=O)C1=C(C)NC(SCC(=O)N2c3ccccc3C[C@H]2C)=C(C#N)[C@H]1c1ccc(Cl)cc1 3296561 MILIFLDVNPHRON-SGANQWHYSA-N 478.017 5.336 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSCc3ccccc3Cl)o2)cc1 8400376 UHCKNGZCZZRUIO-DHRITJCHSA-N 456.951 5.160 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(F)cc1 8812073 ORWLPEVMOGLQPP-KBKYJPHKSA-N 496.163 6.238 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccccc1C(=O)O 9264985 GCKIVEKGZIRZTE-GZTJUZNOSA-N 464.319 5.101 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 9288161 LEJVJZIJVZENDX-LGJNPRDNSA-N 457.313 5.294 50 40 JKGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 9614419 XIBWAPAXEVOSAA-UVHMKAGCSA-N 471.340 5.359 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)c1C 13174072 JHQKRGIBHLKTIF-DEOSSOPVSA-N 478.017 5.758 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OCC)c1OCc1ccc(Cl)cc1Cl 15231280 XZXQQBHBTSDGPC-ODLFYWEKSA-N 459.373 5.695 50 40 JKGB Cc1ccccc1NCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 18173212 YGFMIJPIRFPRDA-UVHMKAGCSA-N 456.329 5.083 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1C 26687272 OKDKSZHZGYYUGK-FGSNJIQSSA-N 484.600 5.229 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CSc4ccccc4)cc3)c2C)cc1 28216871 WNCJJWDYMNHDPH-RDRPBHBLSA-N 453.611 6.459 50 40 JKGB O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/C(Cl)=C/c1ccccc1 33684442 GEXUZTXXZDUANC-WMADTVMISA-N 495.435 6.212 50 40 JKGB N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 33916938 PTVJCIVJWYTLTC-NKFKGCMQSA-N 480.999 5.599 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 34914235 DMGSJPMNHRGFAN-DICXZTSXSA-N 471.340 5.304 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1cccs1 58871258 OJQIIBNDECHPOG-WPWMEQJKSA-N 455.539 5.343 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1Cl 59101531 DTFHVRFTNZSREO-KKMKTNMSSA-N 490.774 5.623 50 40 JKGB Cc1c(C(=O)NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)sc(N)c1C#N 254843506 YHANLUADTRMEEQ-UHFFFAOYSA-N 459.358 5.160 50 40 JKGB Cc1ccc(NCC(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 408534557 WAJMQOKKJUNYNZ-OKCVXOCRSA-N 457.961 5.943 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1ccc2ccccc2c1 408549640 WBHNKLQBKBLWMC-CFRMEGHHSA-N 484.349 6.944 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1cccc([N+](=O)[O-])c1 408570153 SBXUDOXWQFQKRK-ZDLGFXPLSA-N 458.449 5.652 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OCC(=O)Nc1ccccc1 408579349 GASOTGBKDDEKHP-WOJGMQOQSA-N 497.776 6.193 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 408712067 XZWOEBVQGSEISP-OKCVXOCRSA-N 494.422 6.396 50 40 JKGB COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccccc1 408722627 MOGXATYFKXLBLG-GVTYAQIQSA-N 471.395 5.313 50 40 JKGB Cc1ccc(-c2cc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3C)nn2-c2ccccc2C)cc1 408725991 RFUMWWGQJCZUJV-JVWAILMASA-N 453.502 5.137 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc2ccccc2c1 408793401 FDLIHZMTMOOMAA-AFUMVMLFSA-N 496.994 7.243 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OC)c1OCc1ccccc1 408818308 ZYHYIZYHHAWITH-XYGWBWBKSA-N 468.553 5.235 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc2ccccc2c1 408853609 QGLJTMGEQYISLL-YKQZZPSBSA-N 464.521 6.328 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(F)cc1 408855980 OZXFINVZKMWVKV-YBFXNURJSA-N 486.768 7.283 50 40 JKGB N#C/C(=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408880789 KWJPQAVOJVRQSB-LICLKQGHSA-N 472.888 5.854 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(OCc2ccccc2F)c1 408882653 ROYUVBSNKOANJD-YBFXNURJSA-N 450.897 5.921 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cc(C)cc(C)c3)c(OC)c2)cc1 408886295 FYKNKKSMUHKBFB-CIAFOILYSA-N 476.960 6.099 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1cc(C)cc(C)c1 408888700 ZHKBSHBMJOCMEZ-MFKUBSTISA-N 454.570 6.444 50 40 JKGB CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1 408922639 FQICDOHRGOHPJO-HAVVHWLPSA-N 461.521 5.923 50 40 JKGB O=C(N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1cccc2ccccc12 408925598 SGMCFYICHDZZKD-FDAWAROLSA-N 464.952 6.989 50 40 JKGB COc1ccc(-n2cccc2/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1 408944620 NAHHRFLIYGINFG-YQYKVWLJSA-N 474.564 6.016 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1OCc1cccc(Cl)c1 409073639 QUWNVADRQKCVLY-OEAKJJBVSA-N 472.972 6.510 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409092635 VVDFKGNDFDONDG-LFIBNONCSA-N 495.413 7.010 50 40 JKGB COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cccc3ccccc23)cc1 409224513 MAVWQXGDVZXJDR-MVUSDDSASA-N 495.491 5.139 50 40 JKGB CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCc3ccccc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409332746 HZAIEVWQUZGTLB-RBUKOAKNSA-N 491.396 5.063 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2)cc(I)c1OCc1ccccc1 409359857 CFPCCWUTZKZJMV-BKUYFWCQSA-N 481.333 6.333 50 40 JKGB C[C@@H](Br)[C@@H](OC(=O)c1cccc2ccccc12)c1cc2c(cc1Br)OCO2 1614634 GEJXKMLDJJULNO-MPBGBICISA-N 492.163 6.013 50 40 JKGB O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21)[C@@H]1CC1(c1ccccc1)c1ccccc1 1798646 NZPZGRQDDUCLCR-KPRBRTCNSA-N 485.587 5.102 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 2077092 NVGCDYIYZJKLLU-KKMKTNMSSA-N 493.774 5.764 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 2077256 DBJHOUBIGGRJFF-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)NC1CCCCC1 2960033 CDFXMOIDTFRRRP-XNTDXEJSSA-N 493.869 6.415 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 8874964 QOLZEFIJIWPHFH-UVHMKAGCSA-N 477.775 5.927 50 40 JKGB COc1ccc(C(=O)N/N=C/c2c(Br)c(C)n(-c3ccc(C)c(C)c3)c2C)cc1 20243862 HSRSBXQOUHKSLP-DHRITJCHSA-N 454.368 5.246 50 40 JKGB O=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)N/N=C/c1cc(Br)ccc1O 28296648 AAAWUZNHHOGAKD-LQKURTRISA-N 489.373 5.226 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OC(C)C 33716501 BWFXDAYJPTVMIC-SXGWCWSVSA-N 487.341 5.726 50 40 JKGB C#CCOc1c(Br)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1Br 33736418 HXIGTWUFIUIAES-ZSOIEALJSA-N 471.152 5.473 50 40 JKGB Brc1ccc(C2=NOP(c3ccccc3)(c3ccccc3)(c3ccccc3)C2)cc1 104204474 TUHSBTQLRMBEKD-UHFFFAOYSA-N 474.338 5.628 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1Br 408580394 PFAMTVAFZFWBFY-RIYZIHGNSA-N 495.996 6.050 50 40 JKGB Cc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN=C3CCCC3)cc2)c2cccc(Cl)c2)cc1 408721672 WWDNRZDUSAHNGQ-UHFFFAOYSA-N 496.032 5.704 50 40 JKGB N#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br 408747032 YCXBHXHCMQOGSE-GHXNOFRVSA-N 451.107 5.204 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408753728 BYMNJWYJINWCCZ-LSHDLFTRSA-N 472.935 5.360 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(C)cc1 408789724 RTHAYNCBMONELF-LPYMAVHISA-N 460.961 6.480 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1 408801390 AKODZUGPZGLHGC-XIEYBQDHSA-N 490.559 6.450 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(Cl)c(Cl)c4)cc3)cs2)cc1 408842243 JMIMLIVGEGVLHF-UVHMKAGCSA-N 481.408 6.933 50 40 JKGB CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1 408869334 BYGMHLUYUSUZAD-VGOFMYFVSA-N 466.706 5.197 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1ccc(Br)cc1 408877813 YQZHIPYXTHXWSL-MWLANGKQSA-N 485.422 5.703 50 40 JKGB COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 408885736 FRWOFNOZSLDIFB-SFQUDFHCSA-N 477.860 5.022 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OC)c1OCc1ccccc1 408905008 RXCLNRHDWRSFAK-NTFVMDSBSA-N 485.496 5.421 50 40 JKGB N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1cccc(C(F)(F)F)c1 408936478 KEBIYRWRSPQVNW-HMAPJEAMSA-N 472.466 6.983 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1 408979030 KVWQTOCXWBIOPX-JBIOKXMTSA-N 486.547 5.156 50 40 JKGB CC(C)(C)c1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O 408996947 CCGMLXJJVJPRAR-OIDVGNHBSA-N 499.655 5.999 50 40 JKGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 409123262 BGOZKVGKAITYPF-ROCQKPIASA-N 460.430 6.340 50 40 JKGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NN=C3CCCCCCCCCCC3)cc2)cc1 409131601 JWFVANGDMZMURJ-UHFFFAOYSA-N 483.678 6.211 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(Cl)cc1Cl 409133074 QMNUIUBXJXCLJS-QHCPKHFHSA-N 469.324 5.505 50 40 JKGB CN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C2=C1CCCC2=O 409138316 ZVDRTHGERBRLDM-QFIPXVFZSA-N 454.357 5.302 50 40 JKGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1I 409238926 ONENIPGTEPQXLS-ZROIWOOFSA-N 498.242 5.420 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 409256959 OMBAHYSXEXNXHT-FUSDPXDGSA-N 482.367 5.076 50 40 JKGB N#CC1=C(SCCOc2ccccc2Cl)NC(=O)C[C@H]1c1cccc(Br)c1 409314010 RIAZBXCTUFXFNX-HNNXBMFYSA-N 463.784 5.253 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(Br)c2)ccc1OC 409315025 MDDAFDGURVBNOX-DICXZTSXSA-N 497.389 5.508 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3c(C)n(Cc4ccc(Cl)cc4)c4ccccc34)[nH]c2c1 409392231 OGEPTVUADPSNLK-UYRXBGFRSA-N 452.945 6.601 50 40 JKGB CCCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 1773151 YMPYAQQUGOBUGT-NBVRZTHBSA-N 497.378 7.146 50 40 JKGB CCOc1ccc(OCC(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1 1916513 VOIGXUYKXSFPSX-XSFVSMFZSA-N 463.917 5.796 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccc(Cl)cc1 2162538 PSCCKXOUUYEEGH-KBVAKVRCSA-N 498.966 6.981 50 40 JKGB N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl 2202094 AFEREZVBSWUBRG-OAQYLSRUSA-N 459.336 6.064 50 40 JKGB CC(C)(C)c1cc(SCC(=O)N/N=C/c2c[nH]c3c(C(=O)O)cccc23)cc(C(C)(C)C)c1O 2262516 QARACFABNJQOLQ-XODNFHPESA-N 481.618 5.409 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 3176334 OYLPCIQOXTVQJW-GLYQIKNISA-N 484.408 5.532 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2)cc(Br)c1OCCOc1ccc(C)cc1 4207645 PVIIWSDDXOJNKF-JCMHNJIXSA-N 478.386 6.678 50 40 JKGB C=CCc1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2OC)c(OC)c1 9113247 UZZUECYYIUCXLM-JJIBRWJFSA-N 498.579 5.744 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl 9204209 NITZQCTZMDUSBV-LGJNPRDNSA-N 492.200 6.028 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1 9204586 JILNRRXZJCDDRE-VULFUBBASA-N 487.781 5.383 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1cccs1 12463967 MTVSWPCZXHERHN-YBFXNURJSA-N 455.055 5.178 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1cccnc1 13553095 UUOQQPVSPTUFAB-WGOQTCKBSA-N 469.014 5.131 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3C)c2C)cc1 20243617 FEZWLUWYDDVMFM-LGJNPRDNSA-N 484.463 5.857 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3cc4ccccc4cc3O)c2C)cc1C 20243897 VJSFVACNUMGKRZ-CCVNUDIWSA-N 490.401 6.096 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(C)n1-c1ccccc1 28217184 XMNLWBLZQNEQLN-WEMUVCOSSA-N 491.639 5.180 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccccc1Cl 32519941 RQWASDNLRASJLR-LGJNPRDNSA-N 480.977 5.046 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 33557619 MXVNCFAHTRFRCV-RWPZCVJISA-N 471.582 5.650 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 34856529 MOUSHDCJVMOQEM-ZMFRSBBQSA-N 488.327 5.182 50 40 JKGB COc1cc(COc2ccccc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 34869262 GKPRYGNFVNFPKC-NLRVBDNBSA-N 492.531 6.826 50 40 JKGB CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)cc1 38682390 UBGRKBYRDNOYBD-VWLOTQADSA-N 472.566 5.635 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc2ccccc2c1 108188472 MNIGUDVKXSCGKS-MBTHVWNTSA-N 475.975 8.298 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCC(=O)Nc1ccc(F)cc1 408550753 JPHLQEKXHGJBRT-UCQKPKSFSA-N 452.485 6.069 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 408777112 VLGYTHRPAWPCLF-UUASQNMZSA-N 453.753 5.666 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCC#N 408793023 CUJKRXRBFCCRMA-DEDYPNTBSA-N 473.916 5.376 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(OCc2c(C)ccc3ccccc23)c1 408806285 MMOVYYJGZFWQQS-PXLXIMEGSA-N 464.521 5.987 50 40 JKGB Cc1ccc2ccccc2c1COc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 408812485 WQZGZOHCLWYDQD-CJLVFECKSA-N 452.941 6.926 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 408816564 UXXIBVNMLAECCA-CJLVFECKSA-N 452.941 6.926 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Cl)c2)cc1 408819176 YLACLBVUDMQILZ-PXLXIMEGSA-N 482.967 6.935 50 40 JKGB Cc1cc(/C=C(\C#N)c2cccc(Br)c2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408851498 CFAUTYHMEZKBQX-KEBDBYFISA-N 487.224 8.016 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Br)cc2)c(C)n1-c1cccc(Br)c1 408862245 DSMRIQQHDXTRLX-FSJBWODESA-N 475.184 5.383 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 408875780 KULUNYADDXUSCK-DEDYPNTBSA-N 495.804 6.790 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Br)cc1 408877362 QWRBKBHKUVNRHH-DEDYPNTBSA-N 465.778 6.547 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c1OCc1ccccc1 408885837 BPWUCHATAUPKIP-QGOAFFKASA-N 453.325 6.127 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 408885849 FWMNYJSPBGNCSS-UKTHLTGXSA-N 486.709 6.125 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1sc2c(c1C#N)CCCC2 409016462 TYEVREDVXVLXPZ-QDTIIGTASA-N 476.989 6.070 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1cccc(F)c1 409190470 OCIYNHXFILYBAZ-WQRHYEAKSA-N 487.369 5.532 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC)c(Cl)c2)ccc1OCc1ccccc1 409324798 VMZVLLQOGHSMGJ-MBTHVWNTSA-N 487.383 6.134 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1OC 409325053 WUYOJXMDMFNSFG-DICXZTSXSA-N 468.937 5.099 50 40 JKGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c1C 409393244 WJQSQGWHEPVCKC-AJBULDERSA-N 479.580 5.553 50 40 JKGB O=C(NNC1=C(C(=O)C(F)(F)F)CCCCCCCCCC1)c1ccc(Br)cc1 1083981522 MBIAYZOCHTXONZ-UHFFFAOYSA-N 475.349 5.984 50 40 JKGB CCc1cccc(OCC(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)c1 1781974 XAGIBBDWEOAXJN-CCVNUDIWSA-N 487.383 5.673 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 4210213 IZCWGMUKKMUGJA-RGVLZGJSSA-N 476.916 5.480 50 40 JKGB C/C(=N\NC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)C12CC3CC(CC(C3)C1)C2 8454672 LQVIOXSPNWLGIW-UZWMFBFFSA-N 451.614 6.841 50 40 JKGB N#CC1=C(SCc2ccccc2Cl)NC(=O)C[C@H]1c1ccc(OCc2ccccc2)cc1 9014870 CRXDOIFCNUBIHD-QFIPXVFZSA-N 460.986 6.191 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1ccccc1F 33541614 BTEGGEZTYNSGJU-WQRHYEAKSA-N 470.313 6.769 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 33628661 FFKQBKPBQNVKSA-KQWNVCNZSA-N 495.560 6.916 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 39383582 GCTSYEMXEUPORJ-ZNLRHDTNSA-N 492.573 6.743 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1cccc2ccccc12 59281908 GNBBCDYJNYBCQU-RCCKNPSSSA-N 452.897 6.258 50 40 JKGB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 59336316 FXWXPBMPZYXZBA-BOPFTXTBSA-N 468.340 5.953 50 40 JKGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 59383068 PLZZFJIJOCNHNP-RDRPBHBLSA-N 475.013 6.705 50 40 JKGB O=C(CCl)Nc1ccc2nc(SCC(=O)c3ccc(-c4ccccc4)cc3)sc2c1 59497920 OGULNDQWCNYVDY-UHFFFAOYSA-N 452.988 6.116 50 40 JKGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Br 107858602 NLLNLGVGOKIKLW-OQLLNIDSSA-N 470.392 5.594 50 40 JKGB CC(C)[Si](Oc1cc(NC(=O)C(C)(C)C)c(C(=O)C(F)(F)F)cc1Cl)(C(C)C)C(C)C 198128214 SILAOMZQAFDXMP-UHFFFAOYSA-N 480.043 7.624 50 40 JKGB in-vitro CCCCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OCC 408539824 ZEGULTXTBCDCEW-KQWNVCNZSA-N 483.052 7.641 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Br 408566694 IKSCKEBOCCVXFT-XGICHPGQSA-N 478.705 5.124 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1nc2ccc(F)cc2[nH]1 408568872 XFLZYOCWPKUHTL-SXGWCWSVSA-N 493.292 6.016 50 40 JKGB Cc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1 408579421 HFLCDEIEUMNEPQ-RGVLZGJSSA-N 451.353 6.692 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3I)c2C)cc1C 408591780 VCDZPGGRZPAIAE-AFUMVMLFSA-N 485.369 5.008 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(Br)c1OCc1ccc(Cl)cc1 408598821 KBPMEFZOHMAULR-NVMNQCDNSA-N 489.196 7.408 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4ccc(OC(F)F)cc4)cc3)[nH]c2cc1C 408602211 BBAVKFWDAKAZPL-CPNJWEJPSA-N 488.494 5.863 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c1 408746480 ZLZAEWLCWWEEOX-ZDLGFXPLSA-N 471.771 7.080 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCC 408762552 PEMOALUOUUTGLF-ZSOIEALJSA-N 494.183 5.555 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccccc2Cl)cc1 408784094 RGRCDDGMVUDVST-JVWAILMASA-N 484.021 5.117 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2ccccc2Cl)cc1 408868884 QIQKTKZOUKAHTH-HYARGMPZSA-N 474.944 5.662 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(Cc2cc(C)cc(C)c2)c(OC)c1 408869853 SAZAYJQYKGTVBB-YDZHTSKRSA-N 458.989 6.664 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Br)C(=O)Nc1cccc([N+](=O)[O-])c1 408879501 GNVCUYQTNXGDSF-WOJGMQOQSA-N 496.748 6.147 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1OCc1cccc2ccccc12 408887608 PIZQRCZYYPIGNF-WKULSOCRSA-N 479.363 6.498 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(F)c1)C(=O)Nc1cccc(C(F)(F)F)c1 408888180 XPXPRQHBJNTHRS-LICLKQGHSA-N 474.841 6.623 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1 408895482 KUQZVHXURVFRGM-RQZCQDPDSA-N 496.306 5.975 50 40 JKGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1C 408912360 QMKAJSLWJAGMJF-ZDLGFXPLSA-N 468.340 5.953 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccccc2)o1)C(=O)NCCc1c[nH]c2ccccc12 408951941 MXZZADHENYNXNB-ATVHPVEESA-N 492.398 5.940 50 40 JKGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 408958044 XGVJAYFJYLHIMO-ANQWCTRZSA-N 475.814 5.958 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Cl)c1 409041240 JGZRGZBMEQOECS-FYJGNVAPSA-N 473.960 5.828 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1 409044587 WBUQLZODSATDAV-CPNJWEJPSA-N 475.932 5.220 50 40 JKGB COc1cc(/C=C(\C#N)c2ccccc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 409071342 NVEZGCBTSDFEOQ-RGVLZGJSSA-N 464.315 5.799 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)cc2c1 409186692 GOFWFLOBPXMBEL-WKIKZPBSSA-N 470.356 6.310 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(O[C@@H](C)CC)cc3Br)cc2c1 409186882 JBJNZNKSFPUICL-IDFPFIHXSA-N 489.366 5.544 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1OC 409335822 YQVIIZMOYOWBOQ-MWLSYYOVSA-N 496.991 5.797 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4cccc5ccccc45)c(OC)c3)[nH]c2c1 409390553 FFVMVPGWXPTEHQ-MTJSOVHGSA-N 495.966 7.030 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 409394149 WMQGSXDOTAMKGE-LSCVHKIXSA-N 483.293 6.148 50 40 JKGB Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccccc3OC(C)C)s2)cc1Cl 954317 QUALWSCYDHKMSA-XDHOZWIPSA-N 451.979 6.029 50 40 JKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3I)n2)cc1 2287223 DAXMUVPCBVPZBR-NTCAYCPXSA-N 473.339 5.790 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(-c3cccc(Cl)c3)c2Cl)cc1OC 9396703 PNJRDQMYFCWQBP-NTEUORMPSA-N 457.317 5.050 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3nnc(-c4ccccc4)o3)c2C)cc1 9634642 GANQTZSUAGQLOV-PXLXIMEGSA-N 468.513 5.193 50 40 JKGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2nonc2-c2ccc(C)cc2)cc1 12062673 ZSVQBEKLYDEVEO-XQNSMLJCSA-N 486.535 5.752 50 40 JKGB N#CC1=C(N)Oc2cc3ccc(Br)cc3cc2[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 12957187 BIYSQHCMMJXSLL-LJQANCHMSA-N 456.683 5.382 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC2=C(C(=O)CCC2)[C@H]1c1ccco1 13175316 MMPIWXRBTZIXLI-HXUWFJFHSA-N 473.476 5.099 50 40 JKGB COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 14134699 XOKGQBODWSCUJV-DQMKJMRDSA-N 493.774 5.418 50 40 JKGB N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@H]1c1ccc(OCc2ccccc2)cc1 20238378 IYBYJXBDXSIDEZ-VWLOTQADSA-N 467.594 5.481 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1OC(F)F 25423587 YENDSPKLRWQGHL-OGLMXYFKSA-N 493.539 5.168 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1 27018542 QOSZVTTXGHNBQW-HKOYGPOVSA-N 460.537 5.327 50 40 JKGB O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1ccc(F)cc1 32576868 UVLBMJSUJNYMDC-ZMFRSBBQSA-N 452.942 5.120 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 33366902 QSUZXTPSBRMTDN-RPPGKUMJSA-N 484.295 6.087 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 34863562 OTTRXTXPXMVSIX-WKULSOCRSA-N 464.396 6.306 50 40 JKGB C[C@H]([C@H]1CCC[C@H]1P(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1 59129610 IHERDRRKNNMAEF-KVXGTOJUSA-N 478.641 8.824 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1C 59248429 UZCQANUNFWJUPS-GDNBJRDFSA-N 487.806 7.009 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1cccc(C(=O)O)c1 59302081 CNZLOVPNUGBUAP-UUYOSTAYSA-N 456.498 5.135 50 40 JKGB Cc1ccc([C@H]2C(C#N)=C(SCC(=O)N3c4ccccc4C[C@H]3C)N=C3CCCC(O)=C32)o1 102867600 OANGPARWQJRFMP-OYLFLEFRSA-N 459.571 5.568 50 40 JKGB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)N(CCCl)CCCl)[C@@]4(C)CC[C@@H]32)C1 118926802 IRVJJHLWASAGOV-XQLFKHJGSA-N 484.508 5.803 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c(C)n1-c1cccc2ccccc12 408534734 WPWXUWXNTDNHJF-IBBHUPRXSA-N 464.491 5.828 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1C 408567488 NUBRZIUQHSPMMK-CVKSISIWSA-N 451.364 5.338 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)c1ccc(Cl)cc1 408579387 GQOWPVYSKNQJFY-LDADJPATSA-N 467.750 6.184 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)c1ccc(Cl)cc1Cl 408579656 JFCMJVFMCKSGSW-CXUHLZMHSA-N 493.615 8.052 50 40 JKGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl)c1cccnc1 408735871 XSFWYMPNODHBIU-NSKAYECMSA-N 469.155 6.038 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(Cl)c1 408739689 DOBCHOQYGGDFJF-STBIYBPSSA-N 457.961 6.090 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)NCc1ccccc1 408812462 NELMDHIIWIOQKZ-GDNBJRDFSA-N 473.779 6.070 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)NCCc1c[nH]c2ccccc12 408846227 PNQGSOOUEORJNW-WJDWOHSUSA-N 460.877 5.255 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cccc(F)c1 408852492 GKBJYQGNGJZJQE-ROTLSHHCSA-N 454.299 5.506 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Cl)C(=O)Nc1ccc(F)cc1 408870084 VIZXROXOHWCTDB-LDADJPATSA-N 469.741 6.378 50 40 JKGB Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 408877942 YNUCCRNCRHIFAB-HZHRSRAPSA-N 485.414 7.900 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OCc2cccc([N+](=O)[O-])c2)c1 408885242 YDCLPKMGOCRQDK-WOJGMQOQSA-N 497.429 5.747 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OC)c1OCc1ccc(C)cc1 408908796 SCGBQQVUHZALNA-MWLSYYOVSA-N 499.523 5.729 50 40 JKGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 408972851 GMSHFDMXVXWTCN-QUCVJYLXSA-N 497.542 5.286 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 408982031 FHHFGAWYDWARKM-YVLHZVERSA-N 458.776 6.908 50 40 JKGB CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 409055481 IVBJZQHMHRDQRG-OQLLNIDSSA-N 478.184 5.855 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OCC)c1OCc1ccc(C)cc1 409066881 CYMJJSGTQYEQBA-LFVJCYFKSA-N 470.544 6.386 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1cccc(Cl)c1 409068967 TUPHSRDPXCWIQN-BUVRLJJBSA-N 486.999 6.900 50 40 JKGB COc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2cccc3ccccc23)cc1 409225479 RDEQDIBIHWNLQN-NTFVMDSBSA-N 458.901 5.485 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1)c1ccccc1 409251905 QYFFXKQMFXBLDP-GFHXCNCHSA-N 461.359 5.812 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1OCC 409314053 QGJZRJVTBSOEMR-RHANQZHGSA-N 478.520 5.141 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4cccc(C)c4)c(Cl)c3)[nH]c2c1 409390587 FNWGMZKSGGALOF-NVMNQCDNSA-N 464.352 6.830 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3c(OCc4ccccc4C#N)ccc4ccccc34)[nH]c2c1 409392761 RSCJQPBCFBDZGD-HMAPJEAMSA-N 456.505 6.240 50 40 JKGB Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 934929 BTHDPJFUJIGDIJ-IEQIIXMPSA-N 467.594 5.046 50 40 JKGB Cc1ccccc1N[C@@H](C)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 2100698 GLMVTVQTPRBKPQ-CMPFEXHJSA-N 466.379 5.287 50 40 JKGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 2293474 FKWMTZDBTQIMED-OGLMXYFKSA-N 476.577 5.628 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2570969 WLZAJOQZOKUNJA-RPPGKUMJSA-N 479.816 6.468 50 40 JKGB C[C@@H](CN(CCCl)CCCl)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4722564 DHZBGBCMBFYMHO-MJHCCXMASA-N 456.542 6.342 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1nc(CCN2C(=O)c3ccccc3C2=O)cs1 8887677 IRZHHOXNXVWZEP-JWGURIENSA-N 491.572 5.625 50 40 JKGB Cc1cccc(N2CSC3=C(C#N)[C@H](c4cccc(OCc5ccccc5)c4)CC(=O)N3C2)c1 12251019 RFWHFHLWSJKQFP-VWLOTQADSA-N 467.594 5.794 50 40 JKGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)CCC2)c1cccc(C(F)(F)F)c1 12960720 DMOIPSSZFIONJE-HZHRSRAPSA-N 455.483 7.111 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)o1 13943722 WFXGBWQYWHIZKX-JVWAILMASA-N 471.469 5.060 50 40 JKGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 14920484 HFQGCZTWPXCJLK-CVKSISIWSA-N 459.398 6.205 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2ccc3ccccc3c2)cs1 16676199 GRSOHYHCBLENNX-XDHOZWIPSA-N 473.384 8.594 50 40 JKGB COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccccc2)cc1 19955856 ZTEQCAKCJBZOTO-UHFFFAOYSA-N 499.677 5.667 50 40 JKGB COc1ccc(/C(C)=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 20240635 IMJQSVXQYSJLBB-JBASAIQMSA-N 455.602 5.304 50 40 JKGB O=C(N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccccc1Br 20761023 NRFXQTZXBXCQQU-RWPZCVJISA-N 493.788 6.599 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 59335102 LMNFTOOTUVXINE-ATVHPVEESA-N 467.403 6.260 50 40 JKGB N#C/C(=C\c1cc(Br)cc(Br)c1O)C(=O)Nc1ccccc1Cl 59483574 IRSCYDTURZAXFQ-BJMVGYQFSA-N 456.521 5.116 50 40 JKGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 59920790 QKKRTLCGQRDZBP-RPPGKUMJSA-N 477.731 5.395 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1 100062723 ZMBXGALPMCIZCU-QFEZKATASA-N 457.755 5.374 50 40 JKGB CC1(C)CC2=NC(SCC(=O)Nc3ccc(F)cc3)=C(C#N)[C@@H](c3ccc(Cl)cc3)C2=C(O)C1 102587450 VCUATMNCXLKJDZ-HSZRJFAPSA-N 496.007 6.756 50 40 JKGB O=P1(N(CCCl)CCCl)N(Cc2ccccc2)c2ccccc2N1Cc1ccccc1 104052952 MTFCVRRGBIQEQG-UHFFFAOYSA-N 474.372 6.601 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)c(C)c1 216049525 UJGTUNAJPGHRIX-MUFRIFMGSA-N 488.429 6.070 50 40 JKGB O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccccc1[N+](=O)[O-] 408599314 SNCYRSPVHOXSBV-JFLMPSFJSA-N 459.889 5.744 50 40 JKGB CCCCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)o2)cc1 408678406 YOXULKFQHDNXMY-TURZUDJPSA-N 459.546 5.268 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1cccc(Cl)c1Cl 408764314 MEGFSXJSUACQSF-RCCKNPSSSA-N 473.359 7.271 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)cc2)cc1 408805942 CUMAGTNQLROPBC-HKOYGPOVSA-N 462.549 6.672 50 40 JKGB Cc1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1 408845520 GGOIKGDBUCCHEK-MZFJOGFUSA-N 493.994 7.438 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2cccc(F)c2)cc1C 408867475 IPDJQHDLUMFQBC-FYJGNVAPSA-N 463.350 6.342 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1OCc1cccc(Cl)c1 408886940 KGVMDXIZEWTQOT-XDHOZWIPSA-N 477.904 5.690 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)ccc1Br 408905574 ZKYBTEHHFWUEAZ-JJFYIABZSA-N 457.284 5.390 50 40 JKGB N#C/C(=C/c1cc(Br)c(Br)o1)C(=O)Nc1ccc(Cl)cc1Cl 408953354 OVJSIESKARDMAP-CLTKARDFSA-N 464.928 5.657 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)c2C)sc(C)c1C 409198194 ZLMRYGBQQBLFTD-WOJGMQOQSA-N 467.978 5.758 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1ccccc1 409250842 YIWTVBBAFRTLCS-VBNMEBLOSA-N 469.343 6.496 50 40 JKGB Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl 409257694 RVLZFXOIRRFCOH-PDGQHHTCSA-N 480.351 5.865 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Br)ccc1OCc1ccccc1F 661009 QICUNALAZUIFSC-QFIPXVFZSA-N 467.294 5.091 50 40 JKGB Cc1cc(Cl)c(Cl)cc1NC(=O)[C@@H](Br)[C@H](Br)c1ccccc1 1738217 XZXJCHGERZXFSX-CABCVRRESA-N 466.000 6.140 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1cc2c(ccc3ccccc32)o1 2315079 FLKOSYUFXVTPTM-UVHMKAGCSA-N 458.857 5.962 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1Cl 2355458 NWINUPDOWQAFKP-GFPZRUSRSA-N 491.975 5.853 50 40 JKGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)cc1 2427317 HDJBTVNVVQWBGH-PXLXIMEGSA-N 485.565 5.059 50 40 JKGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 3088373 CVDLPVDUEBWACB-DHRITJCHSA-N 469.950 5.211 50 40 JKGB CCO[P@@](=O)(c1ccccc1)c1nc(-c2ccc(Cl)cc2)oc1NCc1ccccc1 3109778 JAXVGIGJAZXXLE-HKBQPEDESA-N 452.878 5.873 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 3239121 FFOATTMGNXZOPU-XSFVSMFZSA-N 483.549 5.369 50 40 JKGB Cc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1 6177822 JCMUDRQYBUDUHN-AFUMVMLFSA-N 490.854 6.143 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCCOc2ccc(C)cc2)cc1 8860836 GEBRFVRPKBLDTR-RCCKNPSSSA-N 491.385 6.069 50 40 JKGB N#CC1=C2SCN(c3cccc(Cl)c3)CN2C(=O)C[C@@H]1c1cccc(Br)c1 9693436 YKAKKOVUCREBHB-QGZVFWFLSA-N 460.784 5.322 50 40 JKGB O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccco1 14134783 UIROCLYVYJGVBA-SSDVNMTOSA-N 478.140 5.148 50 40 JKGB CN(c1ccccc1)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 15978370 LWRWWLADEPGCRN-LFIBNONCSA-N 467.312 6.215 50 40 JKGB CCn1c(SCC(=O)N/N=C/C=C\c2ccccc2[N+](=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 19861167 AYSYCPRDRPZIIG-RDOTVJFLSA-N 492.605 5.078 50 40 JKGB COc1ccc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1COc1ccccc1F 20827874 DHCXURXXDKBDQU-OXUBWTJQSA-N 497.741 5.115 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 34688468 KQPYRCHNMIZPJT-OCKHKDLRSA-N 479.876 6.198 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccc2ccccc2c1 35104773 WKTWRNUAYYRJSE-NKVSQWTQSA-N 499.224 9.097 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(-c2ccc(Cl)cc2Cl)o1 95117825 QKHLLSALMBSQBL-LSFURLLWSA-N 454.107 5.485 50 40 JKGB Cc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3C)N=C3CCCC(O)=C32)cc1 102597524 KMUFXJZZYLJEPY-DEOSSOPVSA-N 478.017 6.598 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 107627432 AKXVHZJKSMEAAG-KQWNVCNZSA-N 481.527 6.064 50 40 JKGB Cc1c(Br)cc(/C=C(/C#N)c2ccc(Br)cc2)cc1Br 408532201 PXHSFQBCLNAZKT-MLPAPPSSSA-N 455.975 6.347 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)c1 408743443 AGDORIFNEJQPLM-HMAPJEAMSA-N 457.530 5.134 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1 408795499 MMILKJBGNAMBNQ-XSFVSMFZSA-N 469.928 5.675 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cccc2ccccc12 408795799 NCXUWHDISGZXHB-BUVRLJJBSA-N 496.994 7.325 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2F)c1C 408868107 MLFIGLYCXLPSGW-FYJGNVAPSA-N 463.350 6.342 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1ccc(C)cc1 408879949 HZORDLSWNMGMCT-KGENOOAVSA-N 456.498 5.217 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(OCc2ccccc2Cl)c1 408893828 GBDSGCFPEJFAJO-YBFXNURJSA-N 467.352 6.435 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1OCc1ccccc1F 409066621 CCCFGVJSULSOHW-KGENOOAVSA-N 460.480 5.827 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409071399 JSWOZLKOTOHRTR-VXLYETTFSA-N 481.335 6.125 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 409214577 WETMPCKUBTZRRA-OKCVXOCRSA-N 484.024 6.739 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 409256962 OMBAHYSXEXNXHT-WWTGGXICSA-N 482.367 5.076 50 40 JKGB COc1cccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)c1 409260780 WHLKYUDBEAHSEQ-WKIKZPBSSA-N 486.355 5.092 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1OCC 409317298 POWXQDWRDVOWPJ-MBTHVWNTSA-N 470.928 5.619 50 40 JKGB COc1cc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)cc2)ccc1OCc1ccccc1 409325307 XVGKDUXFAVIGDP-MNBJERMJSA-N 484.527 5.756 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1OC 409325685 ZPPXNBVKSBJGFM-DICXZTSXSA-N 452.938 5.399 50 40 JKGB CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)cc1OCC 2109427 SYKKLBYLCZVJOI-RDRPBHBLSA-N 469.541 5.472 50 40 JKGB O=C(N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21)c1sc2ccccc2c1Cl 2292476 AMAHBBRCHYXFJE-QYQHSDTDSA-N 459.958 5.278 50 40 JKGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@@H](Br)C2=O 2366861 NGZWVRXNRXLQKS-IEXUWNMDSA-N 488.809 5.668 50 40 JKGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)n1 3237224 FPLJYKMTOFAJEK-UHFFFAOYSA-N 476.389 5.159 50 40 JKGB O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 8812301 FFOZVBOZCURGPH-KBKYJPHKSA-N 451.712 6.129 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(C(=O)O)cc1 8894098 WYDZBCPFGZNMPI-LPYMAVHISA-N 456.498 5.135 50 40 JKGB N#C/C(=C\Nc1cccc(Br)c1)c1nc(-c2cc3ccccc3oc2=O)cs1 9335050 FYGKFGYSCJOTQO-SDNWHVSQSA-N 450.317 5.656 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/C(Cl)=C/c3ccccc3)n2C2CCCCC2)cc1 13685496 LUTUMTQZYDUOQP-BSZFNXBBSA-N 494.064 6.233 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 15012383 IWZRIQOZAKMCLH-WQRHYEAKSA-N 483.351 6.135 50 40 JKGB CCOc1ccc(/C=C(/C#N)c2nc(-c3cc4cc(Cl)cc(Cl)c4oc3=O)cs2)cc1 16689352 XOXYWXNPXLYOMQ-CHHVJCJISA-N 469.349 6.686 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1 20198073 LPJVKXFYMBZBJM-QNKGDIEWSA-N 488.587 7.125 50 40 JKGB Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@H](C)SCc3ccccc3)c2C)c1 20243854 AJXFEYAVLBOOMG-SODVTCOWSA-N 498.490 6.245 50 40 JKGB C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 28350661 DCUZDVOIRFAYOO-YUMHPJSZSA-N 493.976 5.279 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 33375555 AIQHKAXWTNEYBC-WQRHYEAKSA-N 497.320 6.538 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1 33590317 UJDQZCFHFUBXHH-BRJLIKDPSA-N 474.300 5.253 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 33672114 KMVPZBCGMJNLBZ-VYYCAZPPSA-N 492.919 5.592 50 40 JKGB O=C1/C(=C\c2ccc3c(c2)CCN3CCCCl)C(O)=NC(=S)N1c1ccc(Cl)cc1 34688143 QGBPTWHLOMYLKP-AQTBWJFISA-N 460.386 5.003 50 40 JKGB CCCCCOc1ccc(CN2C(=O)/C(=N\NC(=O)COc3ccccc3C)c3ccccc32)cc1 46085133 PEEVHRALRARDIT-PNOGMODKSA-N 485.584 5.010 50 40 JKGB COc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1Cl 58914730 YXKUBEGSDCQBQW-VROXFSQNSA-N 466.708 5.004 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc2cc(Br)ccc2o1 59417790 LVPZLIXISUJTRJ-SSDVNMTOSA-N 454.236 5.127 50 40 JKGB O=C(COc1cc(Cl)ccc1Cl)N/N=C\c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 67192625 PSLCMVWDIXKWHU-JAHAZDFLSA-N 492.573 6.743 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc3ccccc3c2)N=C2CCCC(O)=C2[C@H]1c1ccco1 102932127 FANSOSNHTHPJRM-XMMPIXPASA-N 455.539 6.074 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccc(C)cc1 107583244 XERISRPYZGHQJA-VULFUBBASA-N 475.526 5.469 50 40 JKGB CC[C@H](C)Oc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1 107899703 WWCWLZFBRLFHGE-JXGPUUQSSA-N 485.584 6.207 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OC 408579936 LPIJKFIXBVOOHZ-WUXMJOGZSA-N 474.125 6.069 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)ccc3O)c2C)cc1Cl 408592557 ZHJXQIQBPHTLNL-BHGWPJFGSA-N 460.759 5.288 50 40 JKGB O=C(NNc1ccccc1OCc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408610912 VBVJUHXPUAEBSA-MRXNPFEDSA-N 488.346 5.208 50 40 JKGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)c1ccc(Cl)c(Cl)c1 408764390 MRWSMSXGLXOBJK-JFLMPSFJSA-N 499.375 5.678 50 40 JKGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc1OCC 408784432 RCIQVGWVMFJZBY-AQTBWJFISA-N 486.410 5.638 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1cccc(C)c1 408785897 JKLHXGPLXGYBCJ-GRSHGNNSSA-N 457.368 5.167 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Br 408793966 QZMUMXATMTURQS-CXUHLZMHSA-N 488.179 5.386 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c(C)c1 408794848 JIWWBGNWWINWLA-VXLYETTFSA-N 485.798 7.388 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)NCCc2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 408804166 CSJUKCBCJJVXNI-HAVVHWLPSA-N 453.973 5.917 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)cc1 408836717 UPIXOMTUARBYLA-BWAHOGKJSA-N 477.564 6.227 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408857637 PAWDKWHBIPAJND-FJEPWZHXSA-N 477.391 7.106 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1ccc(Br)cc1 408880451 HVYQCTQBUTUCAM-VULFUBBASA-N 487.781 5.844 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccccc3F)c3ccccc23)cc1Cl 408983079 KEWZJFYHKCTFAZ-MOSHPQCFSA-N 457.936 6.645 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1cccc(Cl)c1 408992774 BUDYDKGOGYJLKZ-ZMOGYAJESA-N 490.728 5.288 50 40 JKGB CC(C)COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 409046228 JHIYJAHNPDTRRA-VGOFMYFVSA-N 496.174 5.931 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4cc(C(=O)O)ccc4Cl)c3C)cc2c1 409186682 GLQBUSAASICJFQ-WKIKZPBSSA-N 479.920 5.355 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1 409226666 QRWLJCJTVIIQSV-WOJGMQOQSA-N 480.351 5.865 50 40 JKGB COc1ccc([C@H]2CC(=O)NC(SCc3ccc(Cl)c(Cl)c3)=C2C#N)cc1Cl 409311443 ZTLQXIBBZYJEII-CYBMUJFWSA-N 453.778 5.927 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1OC 409319570 ILTNPMBTHYNOFD-NTFVMDSBSA-N 482.964 5.489 50 40 JKGB CCc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 409362510 GZRNGBHNHMKXGQ-YUMHPJSZSA-N 481.390 5.292 50 40 JKGB COc1cc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1cccc(F)c1 716160 JYHVMBPVCLDVEK-OFVILXPXSA-N 454.505 5.007 50 40 JKGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 954267 YKCIZAZPWOWIDC-MKMNVTDBSA-N 459.314 5.495 50 40 JKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)cc1 1829310 LWJWSXTXWLKEJM-NTCAYCPXSA-N 483.471 6.311 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccccc1O 2329980 NOPZLPPNXCRWDY-AFUMVMLFSA-N 469.998 5.052 50 40 JKGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1 3145777 YTKABUCMSGDMTO-ZCTHSVRISA-N 472.629 6.509 50 40 JKGB C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1cc(Br)cc(Br)c1O 8780821 KOYJHQYQYZMVBP-MIDUAYCOSA-N 491.183 5.021 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c(C)n1-c1cc(Cl)ccc1Cl 9203547 RXRHSYQHTYMGAS-BRJLIKDPSA-N 479.205 5.856 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1 10476056 GBXBTBYXYFGROA-QNKGDIEWSA-N 488.587 6.664 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2c(OCc3ccc(C#N)cc3)ccc3ccccc23)cc1 10476059 SWWRHHHCJGWKGY-ZCTHSVRISA-N 463.537 5.382 50 40 JKGB C/C(=N\NC(=O)COc1cccc(Br)c1)c1ccc2c(c1)Nc1ccccc1S2 13149196 CZJLEZURSJDTPT-AFUMVMLFSA-N 468.376 5.577 50 40 JKGB N#C/C(=C\Nc1ccccc1F)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 13533374 BNASFSBRCTXQQQ-JLHYYAGUSA-N 468.307 5.795 50 40 JKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)c1 33653776 UFTAAGOAGOQSRL-MOSHPQCFSA-N 473.598 5.895 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4cccc(C(=O)O)c4)c(Br)c3)[nH]c2c1 34718165 JIZGHCBFMXKXSD-GRSHGNNSSA-N 488.341 5.975 50 40 JKGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1C 58913327 LOSBORMXLBBHDE-XKJRVUDJSA-N 490.913 5.472 50 40 JKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 59333103 RYRQOXMBKNDDHG-KQWNVCNZSA-N 458.993 5.312 50 40 JKGB COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)N=C3CCCC(O)=C32)ccc1O 102625988 RLZQDDFNOFNBDR-QHCPKHFHSA-N 479.533 5.181 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1 103593085 FBOUYRQCUPXSKZ-AWNIVKPZSA-N 468.303 5.864 50 40 JKGB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)CCl)CC[C@]4(C)[C@H]3CC[C@@]21C 118917317 XUXXPLDKUZSGKH-MSPKVBQNSA-N 463.146 8.178 50 40 JKGB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc21 208220612 MIQRYHIRPVGYQB-VLKICEKPSA-N 454.368 5.681 50 40 JKGB O=C(Nc1ccc(OCCBr)cc1)C1(c2ccc(Cl)cc2Cl)CCCCC1 225556152 ZGORJICRBTXJMR-UHFFFAOYSA-N 471.222 6.608 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 408544583 VBMDJAOZKLXMJI-UCQKPKSFSA-N 470.481 5.673 50 40 JKGB C/C(=N\NC(=O)CSCc1ccc2ccccc2c1)c1ccc(I)cc1 408725434 GKAWDUUMVYYWTQ-HZHRSRAPSA-N 474.367 5.218 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408744912 NZQMVUVVNLQHCZ-GRSHGNNSSA-N 477.904 5.690 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1 408766000 NSHSOJWISKNONG-XSFVSMFZSA-N 474.900 5.282 50 40 JKGB N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)N1CCN(c2ccccc2)CC1 408772042 JUGLZJOPVGIDSX-VKAVYKQESA-N 452.341 5.509 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br 408788898 GHDWTOGUIYKMMN-MDWZMJQESA-N 496.586 5.975 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 408800056 JYBSECFMXDDGGL-HAVVHWLPSA-N 466.968 7.180 50 40 JKGB C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 408821373 GVHTVDXTYWIBEU-PTGBLXJZSA-N 494.978 7.183 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1Cc1ccccc1Cl 408874802 DBMRZROYECIVSO-UDWIEESQSA-N 465.380 6.837 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2F)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 408883863 WZMMVURLCLIMNF-HMMYKYKNSA-N 456.904 6.757 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Br)c1 408894961 JXGCHKUTCLHZFW-YBFXNURJSA-N 492.329 5.790 50 40 JKGB O=C(N/N=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2o1 408964322 GCXAYENVWXBYEW-LGJNPRDNSA-N 483.440 5.016 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc2c(c1)OCO2 408981869 DEZXKCUSCIGCNE-OCKHKDLRSA-N 476.916 5.510 50 40 JKGB CC[C@H](C)n1c(C)c(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2cccc(C)c21 409032515 JEJQNZXHEVUAPT-DHBSWXANSA-N 474.608 7.208 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1cccc(Cl)c1 409065856 NVPGVQXMVIRWBP-LPYMAVHISA-N 460.917 6.628 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)c1 409067818 ZRLQCWXPXQMSTC-GZTJUZNOSA-N 487.364 5.615 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OCC)c1OCc1cccc2ccccc12 409189177 DYHANKVTUODVBC-ITYLOYPMSA-N 480.608 6.512 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)NC1CCCC1 409191727 LSIYNEAQXPSXIX-PXNMLYILSA-N 460.317 5.446 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 409215577 BMKTYFCWPCCFTD-WQRHYEAKSA-N 453.267 6.140 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1OCC 409316010 XBPGEQNFMCOXJU-MWLSYYOVSA-N 499.394 6.300 50 40 JKGB CCOC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1cc2c(ccc3ccccc32)o1 659657 MYSDWOLZKHVVMV-LGJNPRDNSA-N 495.329 5.054 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)cc1OC 705623 JXJAOPMNHAYBJF-QFIPXVFZSA-N 469.463 5.027 50 40 JKGB CCc1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2Cl)cc1 23002756 FCYXPOHWKVOASD-XSFVSMFZSA-N 450.922 5.177 50 40 JKGB N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)Nc1nc2c(s1)CCN(Cc1ccccc1)C2 25329415 DQZMDEUHGYVGCF-LDADJPATSA-N 468.504 5.266 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1cccc(I)c1 59435298 RNQGTNCPGVWQOH-SRZZPIQSSA-N 495.114 5.078 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1 108212167 LFQZLCCBRHHGAB-LGJNPRDNSA-N 488.327 5.643 50 40 JKGB CCCCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 408539514 WULGKRKAWBPBOG-XSFVSMFZSA-N 455.396 6.571 50 40 JKGB CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2cccc3ccccc23)cc1OC 408539713 JMRULDXTBXFBLX-PKAZHMFMSA-N 483.406 6.334 50 40 JKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 408599439 UZEFLYOJASHKLC-MFKUBSTISA-N 462.462 5.357 50 40 JKGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408615325 OZFLNLFZVDNNTB-MZJWZYIUSA-N 470.356 5.224 50 40 JKGB Cc1ccccc1C(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 408731509 LEIQAZZJFXBDNM-JDCMOKTRSA-N 455.561 6.884 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc1Br 408739731 DYORAHWDSYAZPW-WYMPLXKRSA-N 460.759 5.283 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1 408744823 NHTQAUGIMPVMPB-BOPFTXTBSA-N 454.755 6.056 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408795374 MEJBZTYPNMCXAV-LGUFXXKBSA-N 460.533 6.390 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1c(C)ccc2ccccc12 408801243 SSSVBEOJBLSLFH-XQNSMLJCSA-N 496.994 7.325 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OC 408852319 SKSRPSWXJNQKPY-GTWSWNCMSA-N 479.580 5.962 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1c(Cl)cccc1Cl 408878708 ALAAZIXZISCOCD-XYOKQWHBSA-N 462.676 6.361 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1ccc(Cl)cc1 408880753 KRTAQITYZOVTTJ-DEDYPNTBSA-N 481.379 6.825 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(OCc2ccccc2Br)c1 408887465 OOYARSSJBITVBG-LDADJPATSA-N 497.776 6.236 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1 408888055 WECIQBBMSZMHRA-GZTJUZNOSA-N 487.364 5.615 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1 408981226 VKGNYFGZDVWWQT-HGFFDCOOSA-N 468.557 5.017 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccccc1Cl 409148157 OVIBLOMIBXLJMQ-DEOSSOPVSA-N 463.965 5.048 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc4ccccc4c3)o2)c(Br)c1 409158429 YBXUYZBBJDRLNR-VULFUBBASA-N 463.331 5.700 50 40 JKGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)C(O)(c1ccccc1)c1ccccc1 409187846 VAFRBMORZYYMSV-WPWMEQJKSA-N 462.958 5.470 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 409206942 RJVBICSQJPSNSO-XMHGGMMESA-N 458.543 5.339 50 40 JKGB COc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 409254332 IHMYGCNJDWJOKK-CCVNUDIWSA-N 466.368 6.077 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)ccc1OC 409317168 SEONMBNMBIEXBA-NTFVMDSBSA-N 482.964 5.489 50 40 JKGB N#C/C(=C/c1cc(Cl)ccc1OCC(=O)Nc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 575443488 IAIYFGYPRYDFJW-BOPFTXTBSA-N 468.296 5.983 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3C)C(=O)N2c2ccc(Cl)cc2)cc1 935241 GBTSLOAKFWVWSE-NLTRVXJZSA-N 488.012 6.022 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1 949288 IRUVLWPZXKGXQW-FMIVXFBMSA-N 451.231 6.818 50 40 JKGB N#CCC(=O)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 2057896 JMPLSGBBZICPSG-RDRPBHBLSA-N 483.369 5.938 50 40 JKGB N#C/C(=C\c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 4086258 CDDJUHPGIQPBKD-SFQUDFHCSA-N 491.334 6.450 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(C#N)cc1 8812846 HHTXULRYKIJLSW-UVHMKAGCSA-N 498.764 5.326 50 40 JKGB C/C(=N\NC(=O)CSC1c2ccccc2-c2ccccc21)c1cccc(Br)c1 8843171 IZCBNAKQOAMTFT-MFKUBSTISA-N 451.389 5.793 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)cc(Br)c1OCc1ccccc1 9263380 YEHXCOJAWPJUFE-YBFXNURJSA-N 474.358 6.286 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccncc1 13893874 UEZPAKUYGBXMGN-JFLMPSFJSA-N 497.411 5.269 50 40 JKGB CC(C)(C)c1ccc(OCCn2cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c3ccccc32)cc1 15931724 AKGNNEXWRPEZRC-RUYOUXBXSA-N 471.601 5.220 50 40 JKGB O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)NN=C1CCCCCC1 20233183 ALFHGWANJJPSFH-UHFFFAOYSA-N 468.406 5.015 50 40 JKGB COc1ccc(CC(=O)N/N=C(/C)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 22706278 FLLQGIHFTFVNFS-MBTHVWNTSA-N 470.356 5.337 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 32519888 MPIXAKFTVJBDHC-DHRITJCHSA-N 468.003 5.771 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 33561100 YILUISNYZZRWDR-IWIPYMOSSA-N 483.955 7.299 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OCC 59255618 PHJOWJPFOQILQT-RIYZIHGNSA-N 483.284 5.811 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 59418652 RACHOCTXWUMNJN-MZJWZYIUSA-N 473.356 5.282 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1cccc2ccccc12 59432705 SXMOKZZKBIEWGQ-YZSQISJMSA-N 476.576 6.980 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)ccc1OCC(=O)Nc1ccc(C)cc1 108062027 BBPHQZQUHGEADZ-MOSHPQCFSA-N 452.514 5.270 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Br)cc1 108231239 WGBVOZCWJYWPDW-UKTHLTGXSA-N 462.130 6.562 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc2ccccc2c1 408551165 LUJALOKEFHBUNT-OEAKJJBVSA-N 476.605 6.605 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)c2C)c1C 408566567 AMRGRBVYBHGNMT-JFLMPSFJSA-N 479.671 5.719 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1nc2ccc(F)cc2[nH]1 408569944 REIYLYMEFGXDJY-GRSHGNNSSA-N 488.349 7.805 50 40 JKGB Cc1c(Cl)cccc1N1C[C@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O 408652128 OLXZASFKSKBIGS-BEFAXECRSA-N 468.764 5.078 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 408712090 ZDAASGKYKXBGBT-WKULSOCRSA-N 480.395 6.088 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3ccccc3F)cc2-c2ccc(-c3ccccc3)cc2)cc1 408724284 JONSQUFRJDHLAZ-UZWMFBFFSA-N 474.539 6.418 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3ccccc3Cl)cc2-c2cccc3ccccc23)cc1 408724878 MNIFSSQQEMYRGB-UXHLAJHPSA-N 464.956 6.418 50 40 JKGB Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1)CCCC3 408730464 GPEWIONIKJVAED-MZJWZYIUSA-N 476.989 5.052 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)c1 408747907 VPDVCHAWWBDXCB-MOSHPQCFSA-N 492.373 5.579 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1cccc(C)c1 408793024 CUSCSMIAEPDWOP-UDWIEESQSA-N 481.379 6.825 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 408891065 KSRMSQXIMGBLCV-CXUHLZMHSA-N 485.327 5.863 50 40 JKGB O=C(O)c1cccc(COc2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc2Br)c1 408933591 BLDSJPRTMSMNLY-ZMFRSBBQSA-N 493.313 5.236 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc4c(c3)CCCC4)o2)c(Br)c1 409166017 BVANZDOTQRSISO-VULFUBBASA-N 467.363 5.425 50 40 JKGB O=C(Oc1c(/C=N\NC(=O)c2cccc3ccccc23)cccc1[N+](=O)[O-])c1ccccc1Cl 409223810 IFHVSNZGGAJBLD-DICXZTSXSA-N 473.872 5.385 50 40 JKGB CC[C@H](C)Oc1c(Br)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC 409244955 LEUWXARXKSZVIP-ZYTDBRAZSA-N 457.368 5.419 50 40 JKGB C=CCOc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cccc1OC 409401931 ISKGQERIAFKVJL-UHFFFAOYSA-N 499.567 5.603 50 40 JKGB Cc1ccccc1C[C@@H]1S/C(=C(/C#N)C(=O)Nc2ccccc2)N(c2ccc(F)cc2)C1=O 1889079 DQIJHBIGHDDAGB-YDYXIROLSA-N 457.530 5.199 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c2ccccc2n1Cc1ccc(Cl)cc1 4047940 MAZWBKFHTYZEAQ-ULJHMMPZSA-N 475.979 7.350 50 40 JKGB C/C(=N/NC(=O)CSCc1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1 6013952 PDXZHFKMADGLOP-PKAZHMFMSA-N 451.979 5.366 50 40 JKGB CC(=O)Nc1sc(/C(C#N)=C/c2ccc(I)cc2)nc1-c1ccc(C)cc1 9427576 VGHCZKDPSAEIPZ-GZTJUZNOSA-N 485.350 5.746 50 40 JKGB C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(Cl)cc1Cl 12570210 WJQFPIQPNZUXAY-WSDLNYQXSA-N 468.387 5.010 50 40 JKGB N#Cc1ccc(Cn2cc(/C=N/NC(=O)Cc3ccc(Br)cc3)c3ccccc32)cc1 13595767 MWPLXUSANWDISW-RWPZCVJISA-N 471.358 5.017 50 40 JKGB Cc1ccccc1CN1c2ccccc2C2=C([C@H](c3ccc(Cl)cc3)C(C#N)=C(N)O2)S1(=O)=O 20558667 MXLMJMUOZWNZAE-HSZRJFAPSA-N 489.984 5.175 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1 35198754 SFVVGKJBZWIKIQ-UCQKPKSFSA-N 485.337 7.154 50 40 JKGB COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 59336174 YWBXTLLVILOOSU-YHYXMXQVSA-N 460.542 5.964 50 40 JKGB COc1ccc(/C=N/NC(=O)CN2CCn3c4c(c5cc(C6CCCCC6)ccc53)CCC[C@@H]42)cc1 61992921 VAMSSRSUXVXOMV-NGUGDGFLSA-N 484.644 5.541 50 40 JKGB biogenic CC(C)(C)OC(=O)N1CCC(CSSCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 91368964 WSIQTNLAPOTUKC-UHFFFAOYSA-N 460.706 5.662 50 40 JKGB in-vitro CCCCCCCCCCCCCCCCCC(=O)N[C@H](N=C=S)C(Cl)(Cl)Cl 102130034 ISAQTLCSAYUBJH-FQEVSTJZSA-N 471.966 8.163 50 40 JKGB COc1ccc(/C(O)=N\C(=C/Cl)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 102579620 FKDZDOJJASBGMN-SZXQPVLSSA-O 472.932 6.032 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(OC)c1O 109428133 SWQAQXQEEHVAIH-LQNQUEJISA-N 499.567 5.473 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408580331 OKYRGWDLTRJGBQ-RQZCQDPDSA-N 488.849 7.441 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2N)cc(Br)c1OCc1ccc(Cl)cc1 408728776 TYRVIAYHRVGGLS-RPPGKUMJSA-N 488.769 5.036 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1cccc(C)c1 408741306 IIVFGSGQXZPYJH-NDENLUEZSA-N 477.358 5.891 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OC 408761557 GRRQEYOBVWAGPR-WZUFQYTHSA-N 456.123 5.319 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1cccc2ccccc12 408762815 LHZQXFMRRRVOBM-RCCKNPSSSA-N 452.897 6.258 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1cccc2ccccc12 408763913 QAMSOIILIPTROY-UZWMFBFFSA-N 474.560 6.735 50 40 JKGB Cc1ccn2c(C(=O)N/N=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)c(C)nc2c1 408783337 NQXKQIQJCIVMKN-RPPGKUMJSA-N 454.361 5.429 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccccc1 408788377 COUUCZGRTNENBU-XDHOZWIPSA-N 493.357 5.678 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(OCC)c2)cc1 408790706 QZZMDBVCHCGZSE-LFVJCYFKSA-N 484.552 5.695 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1C#N 408799581 ZYTWDRFQEVVAPG-FSJBWODESA-N 485.971 6.352 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)c1ccccc1 408818968 ZDJYOHJEBBNDMR-ISPGYRLHSA-N 459.933 5.142 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(C)c1OCc1ccc(Br)cc1 408854380 DMBRMUOAXGMWEP-KGENOOAVSA-N 461.359 6.191 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(Cl)c2)c(C)c1 408872441 NJQUAGFJALEHLV-CIAFOILYSA-N 479.805 6.856 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 408872742 PNBNIUVXCHFUQN-JFLMPSFJSA-N 459.889 5.744 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C)c2)c(Br)c1 408875753 KOQBDJURVFSRLJ-HYARGMPZSA-N 475.386 6.445 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 408880240 GTVFSEGSFOIOHC-VCHYOVAHSA-N 482.323 6.335 50 40 JKGB Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)ccc1Br 408966092 YYJNEGQLFWEVNV-BRJLIKDPSA-N 495.333 5.583 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccccc2)o1)C(=O)Nc1cccc(Cl)c1 409002497 NUWXKHPBIGWIGN-LCYFTJDESA-N 459.752 6.392 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1 409073717 RGIGMDKZKNGKSG-XMHGGMMESA-N 466.946 5.270 50 40 JKGB C/C(=N\NC(=O)[C@H](C)Sc1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 409140363 DDEICJZFKQMJKH-ADXYVXIDSA-N 466.006 5.922 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)c1 409257202 RINXBAMNSDCJFK-FYJGNVAPSA-N 473.960 5.828 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)c1 409270592 RADAEGHMWFIYHR-FYJGNVAPSA-N 473.960 5.828 50 40 JKGB O=C(CNc1ccc(F)cc1)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 409340663 AHTAGHYFOLZWIL-WCMJOSRZSA-N 450.517 5.544 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)[C@H](O)c1ccccc1 409347165 MWTVDJZYMVCVJJ-PWDRKSFLSA-N 489.369 5.365 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(Br)ccc3OCc3cccc(C)c3)[nH]c2c1 409389794 AKBZEUYIXOMGNY-ODLFYWEKSA-N 474.358 6.286 50 40 JKGB COC(=O)c1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c3ccccc32)o1 409393798 SFMGIZKMHQHCAK-ATVHPVEESA-N 473.916 5.577 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1c2ccccc2c(Cl)c2ccccc12 3226822 BTJSMSRLMBBJOQ-VVEOGCPPSA-N 455.867 6.227 50 40 JKGB Cc1cccc([C@H](C)N(NC(=O)C(O)(c2cccc(C)c2)c2cccc(C)c2)C(=O)c2ccccc2)c1 3672545 GNYKQLHYVMXDPD-VWLOTQADSA-N 492.619 5.783 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1F 4179073 WTWMRGMYLXWQHF-XMMPIXPASA-N 462.521 5.254 50 40 JKGB Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3Cl)CC(=O)N2)c1 9110805 MRUQVHYEXVOGRB-MRXNPFEDSA-N 460.386 5.321 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1Cl 9203542 LXWZZONRKPTZIN-BRJLIKDPSA-N 479.205 5.856 50 40 JKGB CC[C@@H]1[C@@H](C)[C@H](Nc2ccc(SC#N)cc2)c2ccccc2N1C(=O)c1ccc(OC)cc1 9435199 MISAQJJJNQPHBP-UFKXBGGNSA-N 457.599 6.497 50 40 JKGB O=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccccc1OCc1ccccc1Cl 12311820 CEVHXHPIUUZXQC-UHFFFAOYSA-N 468.984 6.490 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C(C)C)cc3)C3=C(CCCC3=O)N2)cc1C 13174796 VETOGVDDOKTSMF-MHZLTWQESA-N 485.653 6.228 50 40 JKGB Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)c1C 20243738 VHYSFQRAKWWTAI-VBYICHLGSA-N 470.436 5.796 50 40 JKGB Cc1cc(Cl)ccc1OCc1cc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)sc1C 20352771 AJYUHSCOHJVWCX-HYBUGGRVSA-N 475.017 6.191 50 40 JKGB CCOC(=O)/C(C#N)=C\c1ccc(NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1 23968315 QYAGSLXEKQBLMA-ULJHMMPZSA-N 482.476 6.874 50 40 JKGB Cc1ccc([C@H]2C(C#N)=C3SCN(Cc4ccccc4)CN3CN2Cc2ccccc2)cc1 28295150 SBKQYHKUJLBCSH-MHZLTWQESA-N 452.627 5.711 50 40 JKGB N#C/C(C(=O)Nc1cccc2ccccc12)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 33600637 OHFGWLQRKQCUQV-IYQUHZLLSA-N 493.563 6.044 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2OC)c1C 34771888 UKINNZCJZDWZQK-RWPZCVJISA-N 461.949 5.682 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 58913224 DOOYSUREBFHLHL-KBKYJPHKSA-N 477.779 5.452 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1C 59202199 TZPIEEXKDHPJAD-UDWIEESQSA-N 451.353 6.735 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 59410693 CPEIRCRLELCUIH-DHRITJCHSA-N 473.754 5.454 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(F)cc1 59536591 NUGGVCKBOYSDJQ-XDHOZWIPSA-N 480.923 6.011 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1cc2cc(Br)ccc2o1 59680093 NLWCSAQRGVROSW-YSURURNPSA-N 487.693 5.571 50 40 JKGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C1c2ccccc2Oc2ccccc21 71335799 NKEMXPXJJMXOSC-CCVNUDIWSA-N 463.320 6.641 50 40 JKGB N#C/C(C(=O)NCc1ccco1)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 100988943 BJXIWIZOIBIGIK-JHGYQWQCSA-N 498.391 5.329 50 40 JKGB Cc1sc([C@H](N)[C@@H]2CCCCN2C(=O)OC(C)(C)C)nc1CO[Si](C)(C)C(C)(C)C 217389983 JFBUFFPBGWMVQM-ZWKOTPCHSA-N 455.741 5.763 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 408538757 QHFADSIFXXHSCP-UYRXBGFRSA-N 485.968 6.542 50 40 JKGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 408551492 DCCRRXSNNVPMDX-GZTJUZNOSA-N 468.296 5.983 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1cccc(C)c1 408742711 BUSAHMPOCZPXIT-MTJSOVHGSA-N 491.385 6.199 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(I)cc3)o2)cc1 408746002 QCYZDKSCNDAXSI-QINSGFPZSA-N 470.266 5.105 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408746017 WNLRDSMHGRKWML-ODLFYWEKSA-N 477.904 5.690 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1 408749259 MLHSTUMWILRAGM-VULFUBBASA-N 483.362 5.118 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1OC 408783584 OVUKZJPNXVSXOH-SXGWCWSVSA-N 459.340 5.189 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408790604 QGYWSHXECYJGOU-VCHYOVAHSA-N 499.767 6.675 50 40 JKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2cccc(F)c2)c2ccccc12 408797093 FYGSKZRUQWTJHD-RCCKNPSSSA-N 453.517 6.000 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 408855418 MRFSIYVKYTXSOL-JCMHNJIXSA-N 478.983 6.090 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1cccc(C)c1 408855649 FPZZBLSZAMWQIH-VYYCAZPPSA-N 493.357 5.855 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1cc(Cl)cc(Cl)c1 408857569 KWCLQCPEYPBQAL-KIBLKLHPSA-N 455.172 6.472 50 40 JKGB COc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c2ccccc12 408860509 XGYNIVAGOWHIDU-GTWSWNCMSA-N 459.549 6.378 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408898528 WNPMXFPNYSXEGS-SFQUDFHCSA-N 487.364 5.615 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)c(C)c1 408912770 RJNRBNVIRGSDPF-FDAWAROLSA-N 464.569 5.351 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c(C)n1-c1cc(Cl)cc(Cl)c1 408923512 JAOQLAANAHSSNF-RGVLZGJSSA-N 460.364 7.100 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1)C(=O)Nc1ccc(O)cc1 409055646 JQNYQNVJSPATFJ-CXUHLZMHSA-N 457.288 5.963 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C/c3ccc(-c4ccc(C)cc4Br)o3)cc2c1 409188376 YRTIYYWSBMNNES-DHRITJCHSA-N 467.319 5.926 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1cccc(C)c1 409190477 OGTYMRDRLDVMPI-LGJNPRDNSA-N 487.781 5.762 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409219524 NKKOAWYYIRWTMM-XDHOZWIPSA-N 475.932 5.220 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1 409226126 OYUOEVMGQUWVBD-LFIBNONCSA-N 484.314 5.696 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409264530 KTGXZNMCMWJBNT-UDWIEESQSA-N 489.959 5.529 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(F)c2)cc1OCC 409322404 WPNVXNZFMJKKDL-MWLSYYOVSA-N 482.939 5.786 50 40 JKGB CC(/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)=C\c1ccco1 1814056 PUXQXZIXHGFIIU-JODQWXPZSA-N 457.559 5.133 50 40 JKGB CCCCOc1ccc(C(=O)NNc2nc(-c3ccccc3)c3cc(Br)ccc3n2)cc1 9354583 MOZAUCGIWHOMPG-UHFFFAOYSA-N 491.389 5.995 50 40 JKGB Cc1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(=O)n(-c2ccccc2)n1C 9363692 LWLWZQADCJPSBN-NBVRZTHBSA-N 492.457 5.309 50 40 JKGB COc1cc(/C=N/NC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)ccc1O 9445791 LGKRJMLZHPDOCO-RUMWWMSVSA-N 489.575 6.230 50 40 JKGB C/C(=N\NC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccc(OC(F)F)cc1 12587060 APZNTTVMILLLQC-OCSSWDANSA-N 461.468 5.569 50 40 JKGB C/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(C(C)(C)C)cc1 12653576 WSLGKAGWNHYJMT-LFVJCYFKSA-N 455.605 5.000 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccccc1Br 15013498 VBHWLBZYRUCFQH-KGENOOAVSA-N 487.401 5.604 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1cc2c(ccc3ccccc32)o1 15979370 FLKOSYUFXVTPTM-WKIKZPBSSA-N 458.857 5.962 50 40 JKGB Cc1c(Br)c(/C=N/NC(=O)[C@H](C)Sc2ccccc2)c(C)n1-c1ccccc1 20243733 SPHGHHVNHOFNEZ-ZZQPOVDQSA-N 456.409 5.488 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccc(C#N)cc1 20760926 GVFFGRIDKPTTAG-JFLMPSFJSA-N 478.346 5.062 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccccc2)cc1)c1cc(-c2ccccc2)nc2ccccc12 33350951 PLQRYKBYYZRJNR-GTWSWNCMSA-N 457.533 6.245 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 33634363 WUZQSMZBJBSCSL-ATVHPVEESA-N 463.534 5.417 50 40 JKGB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C\c1cc(OC)ccc1O 33915544 XBKXXHMMKMIBFU-WQRHYEAKSA-N 462.527 5.160 50 40 JKGB Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2OC(=O)c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 51331080 QBHYKNMOGUZAPM-JOCHJYFZSA-N 482.927 5.476 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)c1 59201254 QRGCXDBIHCQIRM-KGENOOAVSA-N 461.359 6.191 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc2c(c1)OCO2 59335657 PUEFWOYHZVIZAH-UCQKPKSFSA-N 452.510 5.577 50 40 JKGB O=C(F)[C@](F)(OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F 95681860 YSIGVPOSKQLNTO-OKKQSCSOSA-N 498.060 5.355 50 40 JKGB CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)sc(C(=O)OC)c1C 101081148 SGYBRZLGGDAEGL-GXDHUFHOSA-N 498.542 5.028 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Cl 107946915 DBGHCNAEYPOKST-QGOAFFKASA-N 463.380 7.417 50 40 JKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)cc1 137154860 GSXPMTOIQXRSSQ-XSFVSMFZSA-N 477.358 5.891 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OCC 408578756 APZXAAQPZBECMH-MHWRWJLKSA-N 463.169 6.239 50 40 JKGB COc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)[C@@H](Br)c2ccccc2)cc1OC 408677729 DZXHBAQTIMNTNL-JTHBVZDNSA-N 469.331 5.248 50 40 JKGB O=C(N/N=C\c1c2ccccc2cc2ccccc12)c1ccc2c(c1)CN(c1ccc(Cl)cc1)C2 408727362 FBZHVAGZHBHARU-KYHGBAKBSA-N 475.979 6.931 50 40 JKGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl 408790504 WPCUPTXPVPWRPN-DEDYPNTBSA-N 477.347 6.130 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(Cl)c2)cc1 408804292 XCMGUHDTRTVQIR-HYARGMPZSA-N 460.961 6.480 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(Cl)c1OCc1ccc(Cl)cc1 408808235 FHFYCDIJSZHJQB-LNUOPCRJSA-N 487.427 6.573 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2c(C)ccc3ccccc23)cc1C 408809436 NZZHGADTLAVMAZ-BUVRLJJBSA-N 480.995 7.543 50 40 JKGB Cc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc([N+](=O)[O-])ccc4c3Cl)cc2)cc1 408841911 IPDSUTPVROJDET-LGJNPRDNSA-N 492.944 5.788 50 40 JKGB O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccc(Cl)cc1Cl 408880053 GTJKEQOJEQHFIS-KBKYJPHKSA-N 468.167 6.643 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1Cc1ccccc1Br 408885322 ZIVKIDUIJZFVKC-YBFXNURJSA-N 481.777 6.248 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1C 408885507 BDEMVLIJLIOSEL-XQNSMLJCSA-N 466.968 7.235 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 408899910 RVLGCILAPYNBPT-LTGZKZEYSA-N 466.924 6.567 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1C 408922430 FGAMPDGBUCEOQS-VULFUBBASA-N 467.909 5.298 50 40 JKGB CC1=CC(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1 408981820 CTVPGVSMYNQRLJ-JDKSNUEYSA-N 495.022 7.676 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)cc1O 409034815 IFJHABSFTNGNRO-WGARJPEWSA-N 476.330 5.142 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl)c1nc2ccccc2o1 409041907 KTJSQAQDDPNAQJ-VIZOYTHASA-N 490.173 8.085 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409059252 VSSXNIDGDYGGHV-XDHOZWIPSA-N 486.959 6.005 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OC)c1OCc1ccc(C)cc1 409070565 CEUMOWLPHWGXIS-KOEQRZSOSA-N 482.580 6.256 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 409088520 FXUMIKSCVVQDGG-OQLLNIDSSA-N 489.793 7.032 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1 409259908 HMPOPXDWGIJGKZ-PPDIBHTLSA-N 490.774 5.737 50 40 JKGB CSc1cccc2cc(O[Si](C(C)C)(C(C)C)C(C)C)cc(B3OC(C)(C)C(C)(C)O3)c12 2362803735 DKTJIKKTYAJIJR-UHFFFAOYSA-N 472.576 7.415 50 40 JKGB COC(=O)c1cccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)c1C 1096937 DYYGPTSQGOQOHI-SDNWHVSQSA-N 455.297 5.894 50 40 JKGB CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1 3090172 YYNLOBNDKLBVJP-WJZWMYDESA-N 493.563 5.255 50 40 JKGB O=C(N/N=C(/C=C/c1ccccc1)c1ccccc1)c1cccc(I)c1 3140175 QGXFTQSQPGABIK-FXKYTKELSA-N 452.295 5.139 50 40 JKGB Cc1ccc(-c2nnc(N/N=C/C3=CN(Cc4ccccc4)C=C(C#N)C3)c3ccccc23)cc1C 3164131 WTPDQFIGJVXQAF-VTNSRFBWSA-N 470.580 6.509 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccc(-c2ccccc2)cc1 4047919 MAKGBQWQMJNPNI-VUTHCHCSSA-N 467.572 7.460 50 40 JKGB CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)NCc1ccccc1)=C(C#N)[C@@H]2c1ccc(Cl)cc1 9076421 KWZWTFVBHMPFJZ-DEOSSOPVSA-N 492.044 5.455 50 40 JKGB O=C(N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 9357787 DAWCIQVYDHOBOA-LUJVFJMUSA-N 489.535 5.714 50 40 JKGB C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccc(Cl)cc1Cl 19850303 IQSPKGGKPDDOMQ-LQKURTRISA-N 483.424 6.024 50 40 JKGB C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 19926447 GQMHQICEAMIXAR-YZSQISJMSA-N 490.412 5.038 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc(Cl)cc1 33650726 JKQAAEHCBZHWEX-UCQKPKSFSA-N 474.944 7.019 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc([N+](=O)[O-])c1 34828185 NQMXBWGYAIMXKB-LCYFTJDESA-N 461.724 6.819 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1c(OCc2ccccc2C#N)ccc2ccccc12 35045654 NOFABHCLZSVAFE-HNSNBQBZSA-N 485.543 6.216 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1cccc2ccccc12 59334729 ZEJCZYYULKFDPA-NDENLUEZSA-N 479.374 5.575 50 40 JKGB O=[N+]([O-])c1ccc2oc([N+](=O)[O-])c(SSc3c([N+](=O)[O-])oc4ccc([N+](=O)[O-])cc34)c2c1 100531221 GPLJZFVOWIVGHF-UHFFFAOYSA-N 478.376 5.611 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OC(C)C 107596558 FWYQNYQIBVKACJ-FOKLQQMPSA-N 461.927 5.413 50 40 JKGB COc1cc(/C=N\NC(=O)Nc2ccccc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 107701991 WTUBUYWJLPCGSA-CEUNXORHSA-N 486.572 5.056 50 40 JKGB CCc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccccc4Cl)c(Cl)c3)CC2=O)cc1 408612287 YCDUJBCBYSBCIQ-IBGZPJMESA-N 498.410 5.631 50 40 JKGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 408765189 ZXNZINWBYCFZFJ-MZJWZYIUSA-N 486.355 5.174 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1 408800853 RLAXIRLYQMZXSH-VZUCSPMQSA-N 470.548 5.425 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1ccc(Cl)c(Cl)c1 408802366 DNWIXAHSFLCDEQ-MXYMETFWSA-N 487.427 6.573 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1cccc(Cl)c1 408819037 WJSWXZKBQJADNY-RGVLZGJSSA-N 481.379 6.825 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1 408845556 KORFHRLAUBTQAL-XDHOZWIPSA-N 465.322 6.021 50 40 JKGB N#C/C(=C\c1ccccc1Cc1ccccc1Br)C(=O)Nc1cccc([N+](=O)[O-])c1 408869341 RCBDHSPHEXZAEB-CPNJWEJPSA-N 462.303 5.494 50 40 JKGB N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1 408874184 ZUMRKGYFLNKIRQ-VCHYOVAHSA-N 469.741 6.378 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Cc2ccccc2Br)c1 408877298 VBWHKCURXYXFFG-FYJGNVAPSA-N 461.359 5.903 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cc(C)cc(C)c1 408891209 MYPFKNGZILFEDK-KEBDBYFISA-N 491.931 5.998 50 40 JKGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 408994227 YGNSXMDAASCFRT-JVWAILMASA-N 497.020 6.151 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1C 409007939 SBCUMYJIMYMIPO-UYRXBGFRSA-N 475.932 5.220 50 40 JKGB CN(C)c1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br 409030170 CGNLNBCHUIHVII-YUMHPJSZSA-N 473.374 5.494 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Cl)c1OCc1ccccc1Cl 409123033 DISZHCBDUJOCQB-QFIPXVFZSA-N 469.324 5.505 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1OC 409318558 WOVZQBLMAKPMLG-MBTHVWNTSA-N 485.367 5.910 50 40 JKGB C=C(/C(C#N)=C/c1ccc(OCC)c(OC)c1)N(Cc1ccc(Cl)cc1)c1ccccc1N 409335210 OZSOQIQTJPBFPK-PXLXIMEGSA-N 459.977 6.457 50 40 JKGB O=C(CNc1ccccc1)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 409389341 YBFPUNPXGICJBT-XODNFHPESA-N 451.357 5.559 50 40 JKGB O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)[C@@H]1CC1(c1ccccc1)c1ccccc1 1760253 SIRSNMAMAJZOKG-PKMZKSNPSA-N 471.560 5.060 50 40 JKGB C/C(=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)c1cccc(NC(=O)C2CCCCC2)c1 8454800 JPELOIFKEVNONL-PAEATJNBSA-N 455.986 5.475 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1cccnc1 9272429 JNCGUKUDVDUFFN-TWKHWXDSSA-N 498.656 5.568 50 40 JKGB O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccccc1Br 9323641 DHUGFCWFPKOOHY-JVWAILMASA-N 459.343 5.945 50 40 JKGB CN(c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccc2ccccc2c1)C1CCCCC1 14923858 LAAOGRFMCFGVBW-WPWMEQJKSA-N 460.534 5.046 50 40 JKGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\c2ccc(-c3cccc(Br)c3)o2)cc1 15938535 YXCXWNFOMCGJQR-QUSLUWOKSA-N 465.391 6.260 50 40 JKGB N#CC1=C(N)OC2=C([C@H]1c1ccc(F)cc1)S(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccccc12 20132078 QGNFRQHIDVRLGU-QFIPXVFZSA-N 493.947 5.006 50 40 JKGB CC(C)[C@@H](Br)C(=O)Nc1nc2ccc(OCc3ccc(Cl)cc3)cc2s1 20133462 SAXUWOHEQPJVCN-QGZVFWFLSA-N 453.789 5.887 50 40 JKGB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccccc1Cl 20348403 PGPRRULMARRIDK-QHCPKHFHSA-N 482.005 5.279 50 40 JKGB O=C(CSCc1ccc(Br)cc1)N/N=C/c1nc(-c2ccccc2)oc1Cl 30835562 UMYMBNPRIOLBRB-LSHDLFTRSA-N 464.772 5.141 50 40 JKGB Cc1cccc(COc2ccc(/C=C(/C#N)c3ccc(C(=O)O)cc3)cc2I)c1 34706571 UIUASVCKIQMUFA-MTJSOVHGSA-N 495.316 5.941 50 40 JKGB Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@@H]4c3c(F)cccc3Cl)oc2c1 38700594 OWKOHUDSFQCIOU-HSZRJFAPSA-N 488.902 6.280 50 40 JKGB C/C(=N\NC(=O)CSCc1ccc(C)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 58916752 XHSVGNJEIIBTKI-XJGNFJNRSA-N 499.655 6.734 50 40 JKGB CN(C)C(=O)N(C(=S)Nc1ccc(Cl)cc1)N(C)c1cc(C(F)(F)F)cc(Cl)n1 96248527 ZGAZCFZIPJEFOR-UHFFFAOYSA-N 466.316 5.139 50 40 JKGB N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)s1)C(=O)Nc1sc2c(c1C#N)CCCC2 408555494 XSRPAQPHSPMITN-SDNWHVSQSA-N 482.055 6.910 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1C 408568853 XCKLZSNKXBNSFF-OCSSWDANSA-N 456.973 6.382 50 40 JKGB COc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1ccc(Cl)cc1Cl 408718749 FCIIGKDETAEHNI-NNHIRUSQSA-N 461.389 5.857 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)cc1 408742585 BBVKUBYXYLBDTC-NDENLUEZSA-N 481.379 6.825 50 40 JKGB N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)c1ccc(C(F)(F)F)cc1 408784975 WLHOWNGZTAFZFG-CYVLTUHYSA-N 482.958 8.170 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc3ccccc3c2)c(Cl)c1 408792107 HWZSTADTLBFIDB-FSJBWODESA-N 487.386 7.580 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OCc1ccc(Cl)cc1 408794001 HNIDSAOFSJIDLQ-FYJGNVAPSA-N 493.390 6.855 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(CSCc2ccccc2)cc1 408830588 NUNRENVQKYLAJW-WKULSOCRSA-N 495.431 7.451 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cccc(Cl)c1 408845557 GMUBPVFTNJYEKW-XDHOZWIPSA-N 450.897 6.002 50 40 JKGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 408881765 MARXGPQVQGILRH-OQLLNIDSSA-N 452.860 6.092 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1ccccc1Cl 408891534 SCBODIKVSOFNBH-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OC(C)C 408934743 CVJMYQNPCMTXFG-MYKKPKGFSA-N 479.758 5.799 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c(F)c1 408967797 SFAVTELVTDABBW-YSURURNPSA-N 478.730 5.621 50 40 JKGB O=C(N[C@@H](Cc1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1)Oc1ccccc1 409001278 HLUGJSFOQGEHNF-SANMLTNESA-N 451.526 5.256 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OCC)c1OCc1ccccc1Cl 409071547 HCEGEYHBXFLPRQ-XQNSMLJCSA-N 472.972 6.592 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)cc2c1 409184772 NIPHGTCTWLBIIJ-WGARJPEWSA-N 460.490 5.220 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)cc2c1 409187882 VOACLPVNCMKZBI-WKIKZPBSSA-N 470.356 6.310 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409227245 UQRSLAFQTNGGPF-SFQUDFHCSA-N 479.895 5.051 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccccc1 409234513 LGMDUKMIHJKZEB-WBRURWICSA-N 495.804 6.466 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Cl)cc1 409262797 HJUWMPBVGWYESK-STBIYBPSSA-N 464.993 5.918 50 40 JKGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Cl)cc1 409376511 BLJJDAUEWCDBON-DEDYPNTBSA-N 489.959 5.529 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cc(C(F)(F)F)ccc1Cl)C(N)=C(C#N)[C@H]2c1cccnc1 713503 CEEDSIZNGQWVLI-HXUWFJFHSA-N 472.898 5.695 50 40 JKGB CCS/C(NC(=O)c1ccccc1)=C(\C#N)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl 2296402 HQCYGORNQDHOBW-ZGPNMMCTSA-N 475.013 6.615 50 40 JKGB COc1ccc([C@H]2C(C#N)=C3NC(=O)c4c(sc5c4CCCCC5)N3C3=C2C(=O)CC(C)(C)C3)cc1 3669626 JTOGBWFWZMSAIG-QHCPKHFHSA-N 499.636 5.751 50 40 JKGB aggregator CCCOc1c(Br)cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OCC 9187454 DDEMEFPYZBUKEB-LICLKQGHSA-N 454.368 6.194 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccc(C)cc1 9204512 PUEGIVMLDPXJQS-CVKSISIWSA-N 467.363 5.038 50 40 JKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)cc1 10059249 KCTKLDNNJRHHSQ-YOGAUDJFSA-N 479.791 6.949 50 40 JKGB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccccc1OCc1ccccc1 12137141 XBOAUEDNSUJORA-OAQYLSRUSA-N 466.537 5.161 50 40 JKGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)cc1 13055505 IPWIOQBCGTZWOC-XMMPIXPASA-N 494.016 5.540 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 13576966 DOFNNXKVJQGNIT-WOJGMQOQSA-N 464.352 6.912 50 40 JKGB COc1cccc(N2C(c3ccc4c(c3)OCCO4)=CS/C2=C(/C#N)c2nc3ccccc3s2)c1 16035719 FONMQQAJFHSRNK-OOAXWGSJSA-N 497.601 6.520 50 40 JKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 30822041 MCZBJHITJPRSMS-TVEVAFHQSA-N 464.949 5.602 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)c3C)[nH]c2c1 33401116 WQDZUBZNWZHIHR-DICXZTSXSA-N 486.663 7.811 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc(F)cc1 33643829 MWQMHZFXQYABFA-JAIQZWGSSA-N 496.332 6.328 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1cccc(F)c1 33741974 KOABRDIXCSVKEN-ZDLGFXPLSA-N 470.313 6.769 50 40 JKGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1 35105370 HSZLVONPJDZSCY-MIXAMLLLSA-N 469.541 5.595 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC(C)C)c(OC)c2)cc1 59272398 VTVMMHQZPPWDHM-MHWRWJLKSA-N 459.340 5.189 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cccc(OCc2ccccc2F)c1 408570691 XPHUKFQYBSSBGO-JFLMPSFJSA-N 482.602 5.412 50 40 JKGB Cc1cc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)c(C)n1-c1ccc(C2CCCCC2)cc1 408757167 VFEBPBYKLFYQIA-AWUWXFTQSA-N 457.618 6.106 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)cc1 408794386 IEHHATGQBDGTSL-YBFXNURJSA-N 492.329 5.790 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)cc1 408812440 MXRCEBSPBYMPTB-JCMHNJIXSA-N 469.972 5.883 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 408853027 KPJYNBJHHGHNNA-FDVSRXAVSA-N 495.495 5.700 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1Cc1ccccc1F 408870150 VEUGSAHAESFZOE-YZSQISJMSA-N 492.550 6.550 50 40 JKGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 408873496 UVMGXDWNIXRHJE-NJZRLIGZSA-N 469.629 5.692 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1C 408922737 GGJPUEDKGCKEKD-MZJWZYIUSA-N 457.357 6.043 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 408947243 BKXGKQINQLEPGM-JCMHNJIXSA-N 462.528 5.576 50 40 JKGB COc1cc([C@@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1c(Cl)cccc1Cl 409367679 IBSXQAHPRLUFKO-FQEVSTJZSA-N 476.429 5.924 50 40 JKGB COc1cc([C@@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(Cl)cc1Cl 409371493 GHGVVMKYBNQADS-FQEVSTJZSA-N 476.429 5.924 50 40 JKGB Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(F)cc1Cl 650540 HDZFRKCKADDSSL-HSZRJFAPSA-N 452.913 5.490 50 40 JKGB Cc1cccc(N2C(N)=C(C#N)[C@H](c3ccc(Br)s3)C3=C2CC(C)(C)CC3=O)c1 713286 ACFIHWLVFNGDTL-HXUWFJFHSA-N 468.420 5.760 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc2c(c1)OCO2 1106436 DYHDLOMMSRTXFL-OPEKNORGSA-N 480.318 5.095 50 40 JKGB Cc1ccc(-c2csc(N(NC(=O)Nc3ccccc3)C(=O)Nc3ccc(Cl)cc3)n2)cc1 1415232 FTQXDVJYSFRGQE-UHFFFAOYSA-N 477.977 6.547 50 40 JKGB N#CC1=C(N)N(c2ccccc2Cl)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl 2089942 CHCNEJDRDTUHON-HFJWLAOPSA-N 486.402 6.692 50 40 JKGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc(CSc2cccc3cccnc23)cc1 3232448 UCZVMDWWMVNYFJ-MUFRIFMGSA-N 487.581 5.317 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 9057455 HMRCBGAUMUYYJA-GHRIWEEISA-N 492.285 5.122 50 40 JKGB CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 9404390 PUSNBRYOOZQRIC-HAVVHWLPSA-N 451.551 6.630 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c1 9907433 SQSDKZOKHQKCCL-ODLFYWEKSA-N 497.378 6.525 50 40 JKGB N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 11565496 QXRFCYQGPBSAKX-RIYZIHGNSA-N 459.314 5.495 50 40 JKGB C[C@H](Nc1cccc(Cl)c1)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1 12364815 VYSDQCVIHRAADD-HEOQCTJZSA-N 486.797 5.632 50 40 JKGB Cc1cc(-c2ccc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)o2)cc([N+](=O)[O-])c1C 16269370 WDDTUGVXHFEHFB-MZJWZYIUSA-N 453.454 6.135 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1 26688671 OGQUUTKIISDEJF-NLRVBDNBSA-N 467.550 5.442 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 28216517 BALPXMVWXSCIDE-PZIWGWIQSA-N 480.848 6.685 50 40 JKGB CC(C)(C)c1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)cc(C(C)(C)C)c1O 30765866 BNSIVZJIFDBMRC-ZRGSRPPYSA-N 451.394 5.823 50 40 JKGB Cc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c(C)c1C 59436976 GZPLHYHUYKHJKT-OGLMXYFKSA-N 477.630 5.081 50 40 JKGB C/C(=N/NC(=O)c1ccc(NCc2ccc(Cl)cc2)cc1)c1ccc(Br)cc1 72341370 WEDRPXNOJVOLBM-YSMPRRRNSA-N 456.771 5.869 50 40 JKGB CC(C)[C@H]1COC(c2ccc3ccccc3c2-c2c(O[Si](C)(C)C(C)(C)C)ccc3ccccc23)=N1 195516750 IFPRIRSMYGSWIJ-HHHXNRCGSA-N 495.739 8.845 50 40 JKGB Cc1cc(C)cc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)c2C)c1 408550393 GVZFVZFPMLZDKU-FYJGNVAPSA-N 454.599 6.069 50 40 JKGB O=C(COc1ccc(/C=N\NC(=O)c2ccccc2)cc1Cl)Nc1ccc(Cl)c(Cl)c1 408551521 DLIHYRNITHGVMN-ZRGSRPPYSA-N 476.747 5.428 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1OC 408579907 LHRLZDBAGYLOKF-YBFXNURJSA-N 484.777 6.763 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1 408580750 DRSNAILJTJNVTD-UDWIEESQSA-N 462.933 5.747 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 408724576 BTHMUDGVAKUWHL-UYRXBGFRSA-N 477.904 5.772 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3ccccc3)cc2-c2ccc(-c3ccccc3)cc2)c1 408725885 QPXOOHBOWNLKSB-NJZRLIGZSA-N 456.549 6.279 50 40 JKGB CC/C(C)=N/NC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 408728118 HWPCVLICRRXHAZ-ZXVVBBHZSA-N 484.021 5.560 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 408745426 SBJLDACHHFAFDG-NDENLUEZSA-N 481.379 6.825 50 40 JKGB COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1C 408764969 UNZXFZUKEBNIKT-PDGQHHTCSA-N 478.346 5.189 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1 408790535 WVPKGMOQQYNADW-XQNSMLJCSA-N 482.967 7.017 50 40 JKGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC 408792558 KUDANQIEFXEFCS-WOJGMQOQSA-N 453.336 5.022 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(C)c(C)c1 408799944 LWDDQQWIQDZODE-KEBDBYFISA-N 491.931 5.998 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc2n1Cc1ccc(Cl)cc1Cl 408804803 BKPBTTJLIJBLKG-HNVKZJHRSA-N 480.439 6.907 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OCc1ccc(C)cc1 408811569 MOJRICVDNOQQAX-HAHDFKILSA-N 456.517 5.996 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)c(OC)cc1Cl 408836883 WPUCDJUMENGFRY-WOJGMQOQSA-N 483.351 6.135 50 40 JKGB COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 408837053 YIQSZUWNTRNJLA-LDADJPATSA-N 453.325 6.127 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OCc1ccc(Br)cc1 408888655 YKTJMICUOROFDD-LQKURTRISA-N 489.369 5.954 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)c1OCc1ccc(Cl)c(Cl)c1 408890110 NZKLONIBMGNWKV-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1C 408925601 VAMGCHVWDKRWJC-MZJWZYIUSA-N 457.357 6.043 50 40 JKGB O=C(N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1cccc(C(F)(F)F)c1 408965952 XZJYJLBIMGJDOF-IBBHUPRXSA-N 482.889 6.855 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OC(C)C 409021696 UCMDGMRFHQDJAQ-MYKKPKGFSA-N 479.758 5.799 50 40 JKGB N#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Cl 409031266 AESNGRLHHCBABN-FDVSRXAVSA-N 475.335 5.875 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1 409087995 VMHZNGKTUTVMBM-OQLLNIDSSA-N 466.793 5.921 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1Cl 409149495 IAEDYBGXNYMQRI-KBKYJPHKSA-N 468.167 6.643 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2ccc(C)cc2C)cc1 409183581 DMTBWIWPSHILNL-UHFFFAOYSA-N 455.624 5.024 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccccc1Br 409228713 CYJJTJKEYXQABX-JWGURIENSA-N 462.391 5.513 50 40 JKGB C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OCC)c1OCc1ccc(Cl)cc1 409232515 QMLUZCOOBJRNTD-LQNQUEJISA-N 480.967 5.878 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 409248864 HKUBGQFHKYUSKM-WKIKZPBSSA-N 470.356 5.392 50 40 JKGB O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1c2ccccc2cc2ccccc12 409258798 VKBYBWUBMUQQRH-MUFRIFMGSA-N 478.379 6.559 50 40 JKGB CC[C@@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3ccc(OCC(C)C)cc3)c3ccccc3n2)cc1 2109406 SLMYABQFSNCART-PGYFOQMFSA-N 479.624 7.214 50 40 JKGB CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccc(Br)cc1 2729740 XYWAUDPVIYTMDO-QJTDOHDFSA-N 490.195 5.673 50 40 JKGB CCOC(=O)/C(C#N)=C/c1c(C)n(CCOc2ccc(Br)cc2)c2ccccc12 9113798 ZRXVXUHXHNQXRK-SAPNQHFASA-N 453.336 5.261 50 40 JKGB CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)c1 9459283 KTKFWZINODJDBZ-XLNRJJMWSA-N 476.605 7.392 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(I)cc2)c(C)n1-c1ccccc1Cl 10118543 ZWQFEILGZJAHAY-FSJBWODESA-N 477.733 5.116 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 15231321 LFKYKMATQRVCRS-QGOAFFKASA-N 486.471 5.327 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(Cl)cc1Cl 16689109 FMSOAVRAGMZVLS-XDHOZWIPSA-N 473.400 6.327 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 20065629 CMQICIQNCREBKD-DEOSSOPVSA-N 494.016 5.446 50 40 JKGB O=C(N/N=C\c1cccs1)c1cc(-c2ccc(/N=C/c3cccs3)cc2)nc2ccccc12 33352334 QGZLACFZPOOXRR-YOJITOONSA-N 466.591 6.539 50 40 JKGB N#C/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 33756924 LNPSWYBIGWZJPA-DIBXZPPDSA-N 470.981 7.148 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 59116786 KYETVXPEFBESEL-XDHOZWIPSA-N 465.322 6.021 50 40 JKGB O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(O)cc1 59250502 GVBQTFVJAVDQSD-UFFVCSGVSA-N 451.729 5.316 50 40 JKGB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 59336175 HXQFMWCHUGFJMI-WDZFZDKYSA-N 474.569 6.354 50 40 JKGB N#CSc1cccc(NC(=S)NCCCCNC(=S)Nc2cccc(N=C=S)c2)c1 95641937 SQRZTCGTDLGYQQ-UHFFFAOYSA-N 472.690 5.047 50 40 JKGB Cc1ccc(/N=N/c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 97980955 DWUDEKYPIHPQBR-JEIPZWNWSA-N 471.564 7.905 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)N=C2CCCC(O)=C2[C@@H]1c1cccs1 102591366 SUGUJFCNJVIKAO-FQEVSTJZSA-N 455.992 6.043 50 40 JKGB COc1c(C(C)(C)C)cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1C(C)(C)C 104830272 SXTIJGXSVAKDBR-UHFFFAOYSA-N 495.667 7.784 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1 106113156 RKMZOSSJPZPVFV-OQLLNIDSSA-N 497.769 6.605 50 40 JKGB CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC 108341281 KGDJDKKCUNSRGR-HEHNFIMWSA-N 454.998 7.024 50 40 JKGB Cc1cc2c(cc1/C=N/NC(=O)c1ccccc1Br)[C@@H](C)CC(C)(C)N2C(C)C 223590328 LHOCUCBNOOBHPZ-HSOLMKNUSA-N 456.428 6.022 50 40 JKGB C#CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Cl 408568864 LIBSNPIBKZKPRV-WYMPLXKRSA-N 481.426 5.013 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(I)c1OC 408585776 IHXRDADLQSJHBQ-XGICHPGQSA-N 460.098 5.679 50 40 JKGB O=C(N/N=C\c1ccc(OCc2c(F)cccc2Cl)cc1)c1ccc(Br)cc1 408603489 RGJLCRQOPQZFMN-ROTLSHHCSA-N 461.718 5.585 50 40 JKGB CCOc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1 408608463 WLXSEUNAEJYSLV-RCCKNPSSSA-N 466.541 5.660 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)cc1 408798663 WLAWGNSHHBPATO-HZHRSRAPSA-N 470.525 5.305 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(OCc2ccc(Cl)cc2)c1 408811122 KELPOCSWCUIPFD-LDADJPATSA-N 453.325 6.127 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)cc1 408819590 ZMONQSKENWJBSE-KGENOOAVSA-N 476.960 6.262 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OC(C)C 408866558 GHFLPRUADYMXEO-OVCLIPMQSA-N 452.860 6.090 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408873583 SJXHSEYGRUYVQS-DEDYPNTBSA-N 451.353 6.680 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1ccc(F)cc1 408886093 DEZZKLMCKDJMQZ-XDHOZWIPSA-N 450.897 5.921 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c[nH]c3ccc(OCc4ccccc4)cc23)c([N+](=O)[O-])c1 408887851 RPZDLFLOHSFKBI-XDHOZWIPSA-N 452.470 5.509 50 40 JKGB CCOc1c(Cl)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1Br 408905211 VFWPRNZAPIBVDW-NKVSQWTQSA-N 489.595 5.728 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1ccc(Br)cc1 408948265 CNDOCMGFRZJDOS-FBHDLOMBSA-N 493.111 5.144 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408965467 HPDLXBPYHRPIBN-RGXNXFOYSA-N 479.624 6.588 50 40 JKGB N#C/C(=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1)c1ccccc1 409045091 FMJKFNIAELYXOJ-GIJQJNRQSA-N 487.166 6.994 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2cccc(F)c2)c(Br)c1)OCO3 409104046 IGWKBOMZDXIMHY-QHCPKHFHSA-N 495.304 5.114 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccc(F)cc1 409186651 GAMYMSQTMDSGRR-WQRHYEAKSA-N 487.166 6.994 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)C(=O)NCc1ccccc1 409227900 XBPDSMMHMKSWTK-XDHOZWIPSA-N 480.351 5.234 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 409245781 ZBHNFZGCHSQFQC-QREGZJMFSA-N 464.924 5.851 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OCC 409253522 VPNCUCQWFJWZSM-ZHZULCJRSA-N 469.379 5.069 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2Cl)c1 409258235 SCEPQZIGRBCVFS-LDADJPATSA-N 480.351 5.865 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1OC 409309743 LXEMJNWKLMRLRO-FDVSRXAVSA-N 499.394 6.218 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)ccc1OC 409322523 KFUVNJLPTSMNEC-DICXZTSXSA-N 468.937 5.099 50 40 JKGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)o2)ccc1Cl 409392900 TXFHAQLPNCJQBO-STBIYBPSSA-N 472.928 5.669 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccncc1 2053781 MWHMSHUIVDIWBO-OPEKNORGSA-N 479.161 5.494 50 40 JKGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 3236920 BKEMBDVRYFSFFU-VULFUBBASA-N 456.596 6.142 50 40 JKGB CC(=O)N(Nc1ccccc1)c1ccc(-c2ccc(N(Nc3ccccc3)C(C)=O)cc2)cc1 4266012 JNEYPXWBUIFRKF-UHFFFAOYSA-N 450.542 6.114 50 40 JKGB biogenic O=C(NN=C1CCCCCCCCCCC1)c1nc2ccccc2c(=O)n1Cc1ccccc1 8721624 ZMACOMKCPDXBLY-UHFFFAOYSA-N 458.606 5.835 50 40 JKGB CCn1c(SCC(=O)C(C#N)=C2Nc3ccccc3N2)nc2scc(-c3ccccc3)c2c1=O 9634271 FVSMXRZSONAHCO-UHFFFAOYSA-N 485.594 5.079 50 40 JKGB N#CC(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)=C1Nc2ccccc2N1 10021604 LJDONMYOCVNUKE-UHFFFAOYSA-N 488.960 5.174 50 40 JKGB CCCCCC[C@@H](/C=N/NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)Cc1ccccc1 12566267 GUVCDVDQTQQICL-KZEJMIKBSA-N 483.678 5.406 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)cc1C 13551279 FOXQOWZSJTWUAF-LTGZKZEYSA-N 462.578 6.920 50 40 JKGB Cc1cccc(OCC(=O)N/N=C/c2cc(/N=N/c3cccc(Br)c3)ccc2O)c1C 13945598 PZPHDMCCVITYIL-ZGQMNJRFSA-N 481.350 5.716 50 40 JKGB COc1cc([C@@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)ccc1OCc1ccccc1 20533242 ZKQFSSGFXLHRKD-QFIPXVFZSA-N 487.581 5.082 50 40 JKGB aggregator CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 20763831 MNDVTUFVPISOTR-AFUMVMLFSA-N 498.333 5.099 50 40 JKGB CCOc1ccc2nc(NC(=O)/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)sc2c1 41074205 NXJFLZBYQSHVKU-WOJGMQOQSA-N 476.989 6.302 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1 59087079 URXOPPDPARRITR-PGMHBOJBSA-N 460.965 5.130 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)c1 59201298 BEPAWPFRJVIQIB-UDWIEESQSA-N 451.353 6.735 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Br)cc1 59335989 PHJOUQCCTXXKBI-LFIBNONCSA-N 489.200 6.709 50 40 JKGB C/C(=N\NC(=O)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31)c1ccc(F)cc1 61963743 JJRLVVICGUGEEQ-KWAQJPELSA-N 486.635 6.062 50 40 JKGB CCN(CC)P(=NP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)N(CC)CC 98008929 VVSYHUKBNWTDMF-UHFFFAOYSA-N 467.534 5.956 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccc(Br)cc1 108906827 IAAZGSIJCOWRFG-YVLHZVERSA-N 472.741 6.893 50 40 JKGB O=[N+]([O-])OC12C[C@@H]3C[C@H](C1)CC(P(=O)(Cl)C14C[C@H]5C[C@H](CC(O[N+](=O)[O-])(C5)C1)C4)(C3)C2 195528725 IRTKAOCEHAXDPQ-FGLCXYIVSA-N 474.878 5.103 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1ccccc1C#N 408549597 VKNFPEURLPFWJO-MXAYSNPKSA-N 495.376 7.126 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)c1nc2ccc(F)cc2[nH]1 408570846 ZHBNUDUJHDSIQG-SXGWCWSVSA-N 466.285 6.247 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc(Cl)cc1Cl 408578728 AMEUDWVJVIKRDL-CPNJWEJPSA-N 464.779 8.443 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4c(Cl)cccc4Cl)cc3)CC2=O)cc1 408601902 CFNVKSWEEWCGMR-QGZVFWFLSA-N 484.383 5.377 50 40 JKGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1C 408607933 FTMMKISGQGLYBI-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 408740281 FHRILTLZGZBHAG-LZYBPNLTSA-N 488.301 5.626 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c1 408746404 YXBHWMCFXRHXAI-NVMNQCDNSA-N 455.316 6.566 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)OC)CCCC4)c2C)cc1 408779035 PKNYIXHSFUDWNU-QNGOZBTKSA-N 487.625 5.929 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)cc1Cl 408787813 GQCRPYGDKQLLRB-KEBDBYFISA-N 462.336 6.298 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc2ccccc2c1 408788427 CXLMGRGYZDQHRM-CVKSISIWSA-N 462.549 6.590 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 408794976 UHKABBCQTGGITF-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2n1Cc1ccc(Cl)cc1Cl 408804806 BKPBTTJLIJBLKG-PDPRCHFRSA-N 480.439 6.907 50 40 JKGB COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)c1 408815163 UOOBRUUMKSSLGK-ZMFRSBBQSA-N 494.345 5.153 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1Cc1ccccc1Br 408878252 YWMKUFLLTWBPRY-OEAKJJBVSA-N 489.413 6.601 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1OC 408890213 PSWYQGQJWPCUOL-MDWZMJQESA-N 480.156 5.083 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c([N+](=O)[O-])c1 408897532 XOLGUVZQVYQQLW-WOJGMQOQSA-N 482.323 6.335 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCC(C)C)c2ccccc12)c1ccccc1 408982536 YLQSORFQOZEQDZ-MRAZWZEMSA-N 461.562 5.202 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCc1ccccc1 408988773 RMGKSXCSBLYBGN-LFVJCYFKSA-N 486.999 6.900 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 409067654 QLGCIZUPLUHGQK-DEDYPNTBSA-N 498.398 5.988 50 40 JKGB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3cccs3)c2C)cc1 409193955 ITLXDYBNOMYCPW-PXLXIMEGSA-N 461.587 5.336 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)NCCCc2ccccc2)c2ccccc2n1Cc1ccccc1Cl 409231771 KNEPDYFMACVCBG-MOHJPFBDSA-N 468.000 6.307 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)NCCCc1ccccc1 409240868 QIDHZHHEQAMQIJ-JCMHNJIXSA-N 493.376 5.823 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)cc1OCC 409313332 BNQKFUHVKSAPMR-GTWSWNCMSA-N 480.564 6.146 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409317073 OMDQMUAAXWVXPK-UQQQWYQISA-N 476.576 6.937 50 40 JKGB O=C(CNc1ccc(Br)cc1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 409352459 YZRAISRSBBDANY-MZJWZYIUSA-N 461.363 5.014 50 40 JKGB COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 409360862 FZSZHDKKJCHESY-UVHMKAGCSA-N 458.345 5.143 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc(Br)cc1 409370702 CMCOXSRAOMVAMB-ZMOGYAJESA-N 488.179 5.555 50 40 JKGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccccc1OCc1ccccc1Cl 658687 NVGBNPLCVJHZLU-JOCHJYFZSA-N 456.885 5.244 50 40 JKGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccc(Cl)cc1 1816535 ZJVZIKMECCIOHT-ZVBGSRNCSA-N 469.444 5.380 50 40 JKGB CCCCCC(=O)NNc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCC1)Cc1ccccc1-2 1903181 LMEGKXBQIFQYIW-UHFFFAOYSA-N 470.617 5.350 50 40 JKGB N#CC1=C(N)OC2=C(CCC/C2=C\c2c(Cl)cccc2Cl)[C@H]1c1c(Cl)cccc1Cl 2111014 VADFOVBANLKNIZ-ZAHGZRRWSA-N 478.206 7.629 50 40 JKGB O=C(c1ccccc1)[C@H](Br)[C@H](Br)c1ccc(-c2ccccc2Cl)o1 2413053 VQOVWNLKBAYYMC-QZTJIDSGSA-N 468.572 6.682 50 40 JKGB CCn1c2ccccc2c2cc(N/C=C(\C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)ccc21 8818438 IELIUSGUGZEHSU-OBGWFSINSA-N 465.538 6.823 50 40 JKGB O=C(N/N=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)C(O)(c1ccccc1)c1ccccc1 8861806 WUXBWJQJFQWCMU-UZWMFBFFSA-N 475.548 5.133 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCc1cccc2ccccc12 12555882 WZCPQJCXEXOLTE-PXLXIMEGSA-N 479.492 5.881 50 40 JKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3I)o2)c([N+](=O)[O-])c1 12555976 FQIFZKIXFXVHET-SDNWHVSQSA-N 499.264 5.314 50 40 JKGB Cc1ccc(N2C(c3ccc4c(c3)OCCO4)=CS/C2=C(/C#N)c2nc3ccccc3s2)cc1 12563767 RJYIGVDMEXZMFV-OOAXWGSJSA-N 481.602 6.820 50 40 JKGB C[C@H]1CCc2c(sc3nc(/C(C#N)=C/c4ccc(-c5cc(Cl)ccc5Cl)o4)[nH]c(=O)c23)C1 15979028 AYFVIBSMKQJBSS-OQZOHAQUSA-N 482.392 6.740 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@H](C)Sc3ccccc3)c2C)cc1C 20243747 AQXIKFCBZLPKFM-FOGHPNEFSA-N 484.463 6.104 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1cccc(Cl)c1Cl 20760460 WOVDSJUFVLCVOA-BHGWPJFGSA-N 465.178 5.927 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1cccc(O)c1 30732593 AWDQLJUUPPAUMX-ZMFRSBBQSA-N 498.395 5.189 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)c(Br)c1O 50704879 JYONZFTWHSFCJU-GHXNOFRVSA-N 477.156 5.565 50 40 JKGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 58894279 GQUIYJVJEDKONW-BPRIINSWSA-N 490.600 5.335 50 40 JKGB CC[C@H](C)NP(=O)(NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C)N[C@@H](C)CC 102939977 MPCIYRGRNDHEQH-GJZGRUSLSA-N 483.391 5.471 50 40 JKGB CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1 408540101 NAAFFVYGWGNKRZ-VAMRJTSQSA-N 488.628 6.777 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 408570826 YZZHXQODGMZNCS-ZMOGYAJESA-N 458.992 5.608 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(I)cc2)c(Cl)c1 408742452 WPOFOHHMVWBIGQ-FSJBWODESA-N 477.733 5.116 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)Nc1ccccc1 408744724 ZONXSDHBWMHDCO-VBKFSLOCSA-N 453.376 5.952 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)cc1)C(=O)Nc1ccc(Br)cc1 408745571 SRWFYUDHYFNVPN-PDGQHHTCSA-N 451.295 5.713 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1cccc2ccccc12 408792611 LLIQKYUOSRDTGX-BUVRLJJBSA-N 496.994 7.325 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1OCc1ccccc1C#N 408797369 RAZUQXDXEHAZSC-ZVHZXABRSA-N 497.982 6.464 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccc([N+](=O)[O-])c2)cc1 408806087 AERNRXWKUPQUTG-KGENOOAVSA-N 457.486 5.290 50 40 JKGB Cc1cc(-c2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)o2)cc([N+](=O)[O-])c1C 408850177 HMKDAGUOUHFJLP-MYKKPKGFSA-N 482.290 5.744 50 40 JKGB Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 408995431 CPTRLVXSMYOLSQ-ZCTHSVRISA-N 457.533 6.318 50 40 JKGB O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1)c1cc2cc(Br)ccc2o1 409063980 AVQGFLDVGSLQRK-MXAYSNPKSA-N 485.790 6.764 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1 409076177 ZBUMLUIYMYOIOU-LFIBNONCSA-N 473.337 5.307 50 40 JKGB CN1C(N)=C(C#N)[C@H](c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C2=C1CCCC2=O 409136397 SUKBZGPMJKXFPY-NRFANRHFSA-N 472.347 5.441 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2C)cc1 409257431 SPYHKRPIPFRJKF-BKUYFWCQSA-N 473.960 5.828 50 40 JKGB CCOc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1ccco1 409397431 JVIJRLOTQXWEAT-UHFFFAOYSA-N 493.519 5.810 50 40 JKGB Cn1cc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)c2ccccc21 958957 POFKLXRAGORUQQ-OQLLNIDSSA-N 467.381 6.078 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1 1421388 UALZXALAVUNZPK-JOCHJYFZSA-N 483.749 5.605 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1Cl 2377475 OFPNWAGYOLPOBI-GFPZRUSRSA-N 473.985 5.713 50 40 JKGB O=S(=O)(CCNCCCCC1CCCCC1)SCCNCCCCC1CCCCC1 5459920 WVGFVPNHXNYDDU-UHFFFAOYSA-N 460.794 5.730 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)Nc1nnc(C(F)(F)F)s1 8722662 MNTCFFWUUUFHLA-YBFXNURJSA-N 480.471 5.835 50 40 JKGB COc1cccc(CSC2=C(C#N)[C@@H](c3cccnc3)C(C(=O)Nc3ccccc3)=C(C)N2)c1 9144823 TWXHOJBINVWDBS-RUZDIDTESA-N 468.582 5.358 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)ccc3OC)c2C)cc1 9886408 AFDJVSWVAWHOTF-AFUMVMLFSA-N 470.367 5.028 50 40 JKGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)C3=C(CCCC3=O)N2)cc1 13174426 PVAARHIVDKUIMM-RUZDIDTESA-N 473.598 5.195 50 40 JKGB CCOc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)CCl)[C@@H]3c2ccc(OCC)cc2)cc1 13305142 KOZISSCPCOFRQW-ORQWXQDQSA-N 452.982 5.846 50 40 JKGB CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cs1 15189118 YAHNRXOKGQUIRD-NTEUORMPSA-N 490.894 6.046 50 40 JKGB COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1C 16409520 BBCCFBLZYYUJJD-NTUHNPAUSA-N 450.130 5.074 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 17252656 JBWILWJFRKTSIZ-NLRVBDNBSA-N 492.605 5.299 50 40 JKGB Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c1C 20243843 PMSQNWVSOIXCSI-YMSFFTPVSA-N 484.463 5.937 50 40 JKGB Cc1c(Br)c(/C=N/NC(=O)c2cc3ccccc3cc2O)c(C)n1-c1ccccc1 20243890 UVRHINIIGFTZQD-VULFUBBASA-N 462.347 5.479 50 40 JKGB CC/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Cl)cc12)c1cccc(Cl)c1 20551538 ILVDUOASRYABPO-JBASAIQMSA-N 482.798 7.406 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 22747176 WUGHRQDNFBLFCB-AQTBWJFISA-N 489.362 6.400 50 40 JKGB C=CCOc1c(Br)cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1OC 28217760 DCFZTMMPOSSWQR-ZXCVBSDHSA-N 483.815 5.307 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc(Br)c1O 31906027 PSQDOIOLKBZKNA-NSIKDUERSA-N 481.327 5.457 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCc2ccccc2F)cc1 32520741 HASBNIHXRTYSSV-DHRITJCHSA-N 451.548 5.257 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Br)cc1 59201556 HJFOWPLPSIYHCU-STZFKDTASA-N 491.385 6.281 50 40 JKGB CCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 59266531 PYBRNWDQKOQECK-XNTDXEJSSA-N 467.285 6.192 50 40 JKGB COc1cc(C(=O)Cl)cc(I)c1OCc1cccc(Br)c1 226327571 APBLTJSDRBEDAU-UHFFFAOYSA-N 481.511 5.020 50 40 JKGB CC(C)[Si](OC1=CCC[C@@H]2NC(=O)[C@H](Cc3ccc([N+](=O)[O-])cc3)[C@@]12C)(C(C)C)C(C)C 263612399 YDMXKIHCINZRAJ-WRALFONMSA-N 458.675 6.128 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408542130 HJMSCICZZOFCIM-JAIQZWGSSA-N 478.888 5.988 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccccc1C#N 408548257 FGMQBYVHNGBTQK-ROTLSHHCSA-N 450.925 7.017 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OCC 408568041 HTUMQLAGEBHHHQ-ZMOGYAJESA-N 481.039 5.145 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1I 408591226 SDWBUTJOGTYTOA-FSJBWODESA-N 477.733 5.116 50 40 JKGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c1C 408610607 ONEJMSSVSYAWBE-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccccc1 408722629 MOGXATYFKXLBLG-QEBZGVETSA-N 471.395 5.313 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OCC)c3)c2C)c1 408745302 LFYXSMZMWCYYMZ-HMAPJEAMSA-N 457.530 5.215 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1cccc2ccccc12 408764877 NOBGFIWBUFEVMY-STZFKDTASA-N 470.370 6.556 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1ccccc1Cl 408798055 UBEDQOOFAVCWRS-LPYMAVHISA-N 473.359 7.271 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1Cc1cc(C)cc(C)c1 408864932 BAXGIPJEBAOKGE-CIAFOILYSA-N 462.952 6.631 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 408866757 GKQOKXDIZWCOKA-UDWIEESQSA-N 461.905 5.935 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c(Cl)nn1-c1ccccc1 408893894 ODDWJDWXDWMIBP-LQKURTRISA-N 475.017 6.031 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3c(C)cc(C)cc3C)cc2)c(C)c1 408907351 MIJJFLIDMZOTQZ-UXHLAJHPSA-N 458.602 5.981 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Br)cc3)c2)c([N+](=O)[O-])c1 408922142 DLGAUBCCOVTOOE-XDHOZWIPSA-N 492.329 5.790 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1-c1ccccc1C(F)(F)F 408938936 MKIFCDOFYLOFPL-IPBVOBEMSA-N 497.304 5.509 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c2)cc1C 409008635 ZBPWGOGCLWIHBC-UCQKPKSFSA-N 453.542 5.483 50 40 JKGB O=C(COc1ccc(Br)cc1Br)N/N=C\c1ccc(-c2cccc(F)c2)o1 409014416 PNXKTKADAYREND-RMORIDSASA-N 496.130 5.140 50 40 JKGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OCC 409036247 BEAFYCNMISGGFD-RDRPBHBLSA-N 498.608 6.281 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409195876 WTBKUVNNVHUGDL-LUOAPIJWSA-N 498.193 6.652 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)NCc1ccccc1 409227339 XTFZUTFOPBSVOD-XDHOZWIPSA-N 480.351 5.234 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OC)c1OCc1ccc(F)cc1 409243101 YOAFUPKCYJYLMM-ITYLOYPMSA-N 484.571 5.798 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3C)C(=O)N2c2ccc(F)cc2)cc1 935079 KNJXXSVEJYVPOG-FYAMCCBRSA-N 471.557 5.508 50 40 JKGB O=C(NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1c2ccccc2S[C@H]2C=CC=C[C@@H]21 2280843 WSGJPXYPWJXVJQ-GMAHTHKFSA-N 490.592 5.718 50 40 JKGB Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 2419794 INLUVTYIVDHHOL-GUNDDFSMSA-N 471.557 5.508 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(N(CC)CC)cc2)sc2c1CCCC2 2669766 GEGAYTLXXKKAMH-SDXDJHTJSA-N 451.592 5.195 50 40 JKGB COc1ccc2nc(/C(C#N)=C/c3ccc(OCc4ccccc4F)c(Br)c3)[nH]c2c1 9263534 HPQVNGPUKADKHZ-LICLKQGHSA-N 478.321 6.116 50 40 JKGB COc1cccc(OCCOc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1 9762167 JZPXVAQNPHMMAT-XDHOZWIPSA-N 497.378 6.314 50 40 JKGB Cc1cc(/C=C(\C#N)c2nc3c(s2)C[C@H](C)CC3)c(C)n1-c1ccc(Br)cc1 12524756 COOYYYZPIPYIJJ-CRRKTRLDSA-N 452.421 6.502 50 40 JKGB COc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCCOc1ccc(C(C)(C)C)cc1 13940446 XSMNEZUBUKCVNS-TURZUDJPSA-N 461.562 5.606 50 40 JKGB CCOC(=O)/C(C#N)=C\C=C(/Sc1nc2ccc(OCC)cc2s1)c1ccc(Cl)cc1 16693090 QIQYHELJLCLEGS-MUXFRSMSSA-N 471.003 6.495 50 40 JKGB CCOc1ccc(-c2cc(C(=O)N/N=C/[C@@H](C)c3ccc(OC)cc3)c3ccccc3n2)cc1 20176990 SSWOEIMWCLOJGO-YPKLGXIKSA-N 453.542 5.828 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 20197580 PYRLUXBERGNEPX-OKCVXOCRSA-N 494.422 6.858 50 40 JKGB Cc1c(C(=O)N(C)C)sc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3Cl)o2)c1C#N 20294817 YPQYUIWWXIYGKT-GXDHUFHOSA-N 464.934 5.089 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1cccc(C#N)c1 20760931 DCNUKWRKCUDPIC-JFLMPSFJSA-N 478.346 5.062 50 40 JKGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1 28215951 JVPWIHGMEIGJEH-KKMKTNMSSA-N 474.457 6.401 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(OCC)c3)c2C)cc1 33370693 UPLVJMDGNOBVIQ-PXLXIMEGSA-N 457.530 5.215 50 40 JKGB O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 39383571 XYVYRHPIFNMSLD-AFUMVMLFSA-N 478.302 5.463 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1ccccc1C 41078069 RCHTYIFFPHACMS-HMMYKYKNSA-N 485.565 5.617 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(C(C)C)cc1 59336069 KTHJNGYJQSJNKI-MOSHPQCFSA-N 452.385 7.070 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCC(=O)O 59336549 XGEAPKRNLGYYAE-YBEGLDIGSA-N 475.328 5.130 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1Cl 59336558 HBGAQEABZMOQLX-ATVHPVEESA-N 457.744 6.771 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc2ccccc12 59536129 CHCPIOYMBJHKQZ-HZHRSRAPSA-N 452.941 6.926 50 40 JKGB CSc1nc(C)c(-c2csc(/C(C#N)=C\c3ccc(Br)cc3)n2)cc1C#N 96836143 JBUUQPCKXVSVKB-AUWJEWJLSA-N 453.390 5.934 50 40 JKGB CC(=O)Nc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1 108263470 FFDQMCFDZLDYIS-RWPZCVJISA-N 458.949 5.374 50 40 JKGB Cc1cc(C)c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)c2C)c(C)c1 108988030 ZYLROZNQASVSLC-LPYMAVHISA-N 468.626 6.377 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1OCc1cccc2ccccc12 408528530 HUWNUNSORAVGOW-JLPGSUDCSA-N 484.393 7.644 50 40 JKGB O=C(NNc1cccc(OCc2ccc(Cl)c(Cl)c2)c1)[C@H]1CC(=O)N(c2ccccc2)C1 408607092 MZBRCNDJDXCZAQ-KRWDZBQOSA-N 470.356 5.069 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccccc1F 408752748 GOGAIOVQJXMGCL-STZFKDTASA-N 491.360 6.441 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Cl)c2)cc1 408788975 NMJRWSVEPDCRRC-CPNJWEJPSA-N 450.897 6.002 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408805849 HXMCSKFQOHYDMU-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(F)c(Cl)c1 408814078 RFZSUUUKNRBGSU-NVNXTCNLSA-N 462.739 6.739 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2Br)c1 408870445 DSHYYYDUZQENIA-FYJGNVAPSA-N 479.805 6.856 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1c(Cl)cccc1Cl 408887125 OCVXDCTZVSZULD-RCCKNPSSSA-N 473.359 7.271 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cccc(F)c1 408888196 XUHLIUYWVLHHJK-CXUHLZMHSA-N 485.298 5.906 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(Cl)c(Cl)c1 408895590 NJSZLZBFTJGLGA-WKULSOCRSA-N 479.363 6.498 50 40 JKGB C=CCOc1c(Cl)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1Cl 408904540 LDSCAWLLTHVSHA-YVNNLAQVSA-N 457.155 5.785 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C)c1ccccc1 408982418 XVNHMEZPFOSDJG-BATDETSNSA-N 480.996 5.384 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)cc1 409055063 IBFPGBMVTCWANS-VCHYOVAHSA-N 455.316 6.566 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 409069349 CQHFNVBXHBTKLQ-WGOQTCKBSA-N 496.563 5.314 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c1 409379172 VHALVDNIWLOWKS-PDGQHHTCSA-N 493.922 5.441 50 40 JKGB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccccc1Cl 1823823 BWZDZGCYIRDMOJ-LDADJPATSA-N 450.947 6.099 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3OC(C)C)nc3ccccc23)ccc1O 2090792 FHMBUCAZNBSCNG-LQKURTRISA-N 455.514 5.167 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccco1 2204313 LSGHYHPCJQMZLI-DEOSSOPVSA-N 499.592 5.356 50 40 JKGB O=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 2248822 GEHGJFLDTWWNNI-KIBLKLHPSA-N 496.785 5.128 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(C)c(Cl)c3)C(=O)N2c2ccccc2)cc1 2366605 ANEVWJGZELZNRA-MZOFLMDJSA-N 488.012 6.022 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)c1 3232229 XPMHCRBZYCSJCQ-UDWIEESQSA-N 451.353 6.735 50 40 JKGB C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(C(C)(C)C)cc1 8686590 DKDMNUACOWYTOZ-LFVJCYFKSA-N 455.605 5.000 50 40 JKGB N#C/C(=C/c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 8809505 OBKAVJSPHVSCCB-SXGWCWSVSA-N 465.296 6.421 50 40 JKGB Cc1ccc(-c2nc(/C(C#N)=C/c3ccccc3[N+](=O)[O-])sc2NC(=O)c2ccco2)cc1 19927921 NJVXGDUTOMQCTL-QGOAFFKASA-N 456.483 5.936 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccccc1Cl 20228706 FGLKOVRMDUZXMD-LGJNPRDNSA-N 481.961 5.311 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(F)cc1 32522818 YCESCPZQXDECDB-LGJNPRDNSA-N 481.574 5.265 50 40 JKGB CC(=O)Oc1ccc(/C=C(/C#N)c2nc(C3=Cc4cc(Br)ccc4CC3=O)cs2)cc1 39383862 LUGCPZOIZZRHSZ-LSCVHKIXSA-N 491.366 5.561 50 40 JKGB CCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 40476975 NVTIFPGNTLOVMO-FOWTUZBSSA-N 458.370 6.660 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccccc1Br 59336305 FVTCOXYXKGBVFQ-WJDWOHSUSA-N 489.200 6.709 50 40 JKGB Cc1cc(SCC(=O)N/N=C2/C[C@@H](c3ccccc3)Oc3ccccc32)c(C)cc1Br 59365602 FAYLRPLVHQHGHI-MIXNUDJGSA-N 495.442 6.202 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 59536546 HDHWDKULYKYBIJ-LDADJPATSA-N 476.363 6.551 50 40 JKGB C[C@H](CCC(=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 118914659 XNTZTQJAAZNSGD-GHCWTRHXSA-N 453.461 6.089 50 40 JKGB CCCCCCCCOc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1OCC 408539005 DIERFEWTVBNSBS-OQKWZONESA-N 456.424 7.651 50 40 JKGB CC(C)(C)c1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(C(C)(C)C)c1O 408567235 CQXLALXOETVRQC-JFLMPSFJSA-N 486.703 5.995 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 408676658 LWZRKYRWGRDUMN-UXHLAJHPSA-N 471.004 6.016 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3)o2)c(Cl)c1 408740205 JGLYSLDOOYTTGU-VYYCAZPPSA-N 452.341 6.425 50 40 JKGB COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@H](C)Sc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 408751308 CUAKYQREAMMQOY-IJSWBCEGSA-N 497.664 6.543 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c1 408797806 CVNXKVZNZUJNRH-UDWIEESQSA-N 451.353 6.735 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(OCc3ccc(C)c(C)c3)ccc3ccccc23)c1 408802421 DWJFUINHUUMVIB-YZSQISJMSA-N 460.577 7.198 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2F)cc1 408806485 AYBNJPICVISQCE-NDENLUEZSA-N 495.348 5.399 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc2c(c1)OCO2 408852254 QYHABBLUQWGNLD-QDTIIGTASA-N 492.915 5.557 50 40 JKGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 408896898 OUNYKTMSBLEHMP-LUOAPIJWSA-N 498.193 6.408 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc3ccccc3c2)c1C)c1ccccc1 408976260 AFRUTXTZKDRGIH-UVKUDMKVSA-N 482.584 5.575 50 40 JKGB CC(C)COc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c2ccccc12 408980648 RXYYHHNCHJZELG-KWAQJPELSA-N 493.607 5.886 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1 409071757 LFGFUAPVJZCENW-SFQUDFHCSA-N 487.364 5.615 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409195069 STSTVJSSJUIBJN-YSMPRRRNSA-N 467.657 6.528 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c2)cc1C 409271716 WEFUJPNVHRMPJF-NDENLUEZSA-N 459.933 5.520 50 40 JKGB CCc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(Br)cc1 1009253 SWXWHXIDFXHFAC-NRFANRHFSA-N 485.403 5.467 50 40 JKGB O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1cccnc1)c1cccnc1 1102837 AHLFXHUPCXMUPA-UHFFFAOYSA-N 458.568 5.781 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(NC(C)=O)cc2)cc1OCc1ccccc1Cl 1439461 QZDCCQUWRJNOAB-DEDYPNTBSA-N 475.932 5.432 50 40 JKGB CC(C)c1ccccc1Oc1coc2cc(OC(=O)/C(C#N)=C/c3ccccc3)ccc2c1=O 1777130 WVKYTPKSMLUFCE-XSFVSMFZSA-N 451.478 6.221 50 40 JKGB CCc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 2219666 JMBLBEHRINBHRG-CHTIKVTKSA-N 467.594 5.622 50 40 JKGB O=C(N/N=C/c1ccc(-c2cccc(Br)c2)o1)C1c2ccccc2Oc2ccccc21 2744453 NGMLPRUGLNOWRP-JFLMPSFJSA-N 473.326 6.097 50 40 JKGB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@H]3CC[C@@]21C 3881627 XUXXPLDKUZSGKH-OHPSOFBHSA-N 463.146 8.178 50 40 JKGB biogenic CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCCOc1ccc(C(C)(C)C)cc1 8985024 DOYNLSMJBLCOLN-PTGBLXJZSA-N 486.568 6.813 50 40 JKGB Cc1cc(SCC(=O)N/N=C/c2ccc(Br)cc2)c2cc(Br)ccc2n1 9470563 UOAPDZLHCSLHTJ-LSHDLFTRSA-N 493.224 5.311 50 40 JKGB CCc1ccccc1N1CSC2=C(C#N)[C@H](c3c(OC)ccc4ccccc34)CC(=O)N2C1 9693490 SUXKJUVLDRTAQI-OAQYLSRUSA-N 455.583 5.630 50 40 JKGB COc1ccc(/C(C)=N\NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 9762565 AQECZRQDYDBPLG-XKZIYDEJSA-N 479.052 5.125 50 40 JKGB Cc1ccc(Sc2ncccc2C(=O)NN(C)c2ncc(C(F)(F)F)cc2Cl)cc1 14007698 FBTONNVONNRQKD-UHFFFAOYSA-N 452.889 5.390 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccccc1O 14134762 DMGQXLLSURRGEX-OPEKNORGSA-N 494.172 5.804 50 40 JKGB Cc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)c(C)n1-c1cc(C(F)(F)F)ccc1Cl 14360219 JMJJMZINYUYLRN-GZTJUZNOSA-N 459.903 6.148 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccccc1C(=O)O 15225846 GCKIVEKGZIRZTE-BOPFTXTBSA-N 464.319 5.101 50 40 JKGB Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cccc2ccccc12)S(=O)(=O)c1ccccc1 19949588 ODIFTSFGWXVIHP-OGLMXYFKSA-N 492.000 5.147 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1 20065631 CMQICIQNCREBKD-XMMPIXPASA-N 494.016 5.446 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCc2ccccc2Cl)=C(C#N)[C@H]1c1ccccc1Cl 20171654 NOPUEKVHWLJROK-JOCHJYFZSA-N 471.409 6.352 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1OC(=O)c1cccs1 20921985 RWRQPHFTGTWDHD-RVDMUPIBSA-N 486.521 5.836 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccccc1 33740893 XOSRVYQCXUAHEK-QQXSKIMKSA-N 467.363 5.120 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1cccc2ccccc12 58871237 PPQQMWSQJIDMCJ-UZWMFBFFSA-N 480.608 6.879 50 40 JKGB Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(OCc4cccc(F)c4)c(Br)c3)nc2c1 107822547 TUGGDDNSFUTFRJ-ZDLGFXPLSA-N 462.322 6.416 50 40 JKGB C[C@H](C[C@@H]1CC(=O)c2c3c(c4ccccc4c2O1)O[C@@H]1CC(=O)O[C@H]31)O[Si](C)(C)C(C)(C)C 195752314 BNJSPQNGLIXZGN-FMNDVPJASA-N 468.622 5.723 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1nc2ccc(F)cc2[nH]1 408569049 YMMDQQHMVNXQKW-CHHVJCJISA-N 472.734 7.305 50 40 JKGB CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(Cl)cc1 408581722 ZAVFWNIWZKBJBL-RIYZIHGNSA-N 455.577 6.718 50 40 JKGB N#C/C(=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)Sc1nc2ccccc2[nH]1 408598550 DBRNZQMHZPEMGN-XQNSMLJCSA-N 456.574 7.376 50 40 JKGB CCc1ccc(N2C[C@H](C(=O)NNc3ccccc3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1 408604984 JKKKFBJSWPIYSP-LJQANCHMSA-N 498.410 5.631 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(Br)cc1 408726844 VUCCISGYVXJDGE-BKUYFWCQSA-N 491.385 6.199 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 408745644 UQONNYLKWMQCAZ-ODLFYWEKSA-N 467.352 6.435 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1 408809167 QVZDZZYKGNDCTC-LZYBPNLTSA-N 492.189 7.425 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OCc1ccc(F)cc1 408820387 VRZXAHKQDLSCPW-STZFKDTASA-N 460.480 5.827 50 40 JKGB Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccccc3OCc3ccc(C)cc3)cc2)cc1 408835946 ZURRRMRHKZTMKP-TURZUDJPSA-N 488.587 7.007 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1OCc1cccc(C(=O)O)c1 408845481 HEBNWNGOYUKFDF-JAIQZWGSSA-N 464.315 5.799 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1F 408867148 JAOFVLQFAUKIIO-CXUHLZMHSA-N 475.734 6.911 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Cl)c(Br)c1 408884621 VCICVAXIOPOWNC-UDWIEESQSA-N 465.778 6.547 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc3ccccc23)c([N+](=O)[O-])c1 408894112 JCXIMWHVQQUDAH-XQNSMLJCSA-N 463.493 6.181 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1 408962642 ITWLSIHUHGSKQW-XODNFHPESA-N 491.307 6.119 50 40 JKGB CCOc1cc(/C=N/NC(C)=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409011819 HXBHZGPDBUWJSX-OCSSWDANSA-N 489.616 5.041 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 409022723 QHFAMXAKYCNZTP-NUJZUDFISA-N 480.351 5.650 50 40 JKGB CC(C)COc1c(Br)cc(Br)cc1/C=C(\C#N)c1nc2ccccc2[nH]1 409043357 QHILSQMFSVKCDA-VGOFMYFVSA-N 475.184 6.187 50 40 JKGB N#C/C(=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1)C(=O)Nc1cccc(Cl)c1 409218654 JLIPFWSXRMENKS-BOPFTXTBSA-N 466.324 5.557 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1 409264125 OVBROOJSDFUHSC-QDTIIGTASA-N 484.383 5.700 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409368529 ANEOKAWXXYGFKB-UWVJOHFNSA-N 469.755 7.170 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)cc1 1932460 SANVGFULXMMOEP-HMMYKYKNSA-N 460.555 5.926 50 40 JKGB COc1ccccc1C(=O)N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 2181658 AXBWJVRNEYJPAA-VULFUBBASA-N 464.930 5.546 50 40 JKGB N#C/C(C(=O)Nc1ccccc1F)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2338069 PTMOFHADHKTRBU-AEPTXUNZSA-N 461.493 5.030 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccc(C)cc1 9296185 HXAXQRULFAOIOC-QHCPKHFHSA-N 493.357 5.269 50 40 JKGB COc1ccccc1C(=O)NC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)c2c(ccc3ccccc23)O1 9659616 KRMOFDCKAPTEHO-VWLOTQADSA-N 477.476 5.446 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cc([N+](=O)[O-])ccc1Cl)C(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])s1 12402293 UQBDCHYNOTUHAA-LJQANCHMSA-N 499.936 5.159 50 40 JKGB CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1ccc(OCc2cccc(C)c2)c(OC)c1 12412730 HFLCMRAXACHWNX-MHZLTWQESA-N 484.552 5.727 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(C(F)(F)F)ccc3Cl)c2C)c1 12524913 ZUTKMPXJTKWQFF-WOJGMQOQSA-N 457.883 6.620 50 40 JKGB Cc1cc(/C=N\NC(=O)c2ccccc2Br)c(C)n1-c1sc2c(c1C#N)CCCC2 15224866 UCLNBDKZGYUPOK-ZMFRSBBQSA-N 481.419 5.433 50 40 JKGB C/C(=N\NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1)c1ccccc1 19926497 SLHOJCZGVKUXGH-WGOQTCKBSA-N 490.412 5.114 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Br)c(C)c2)c1C 34697228 VLHMDRQHHYGOJS-RWPZCVJISA-N 490.401 6.091 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117474 VDNWTDLESXCPBW-CXUHLZMHSA-N 475.734 6.911 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccc(Br)cc1 59297294 MDIRYADWNSFGDG-PDGQHHTCSA-N 455.352 5.002 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 59426601 DQMSLBIZYLRNLF-UVHMKAGCSA-N 477.775 5.927 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)N1CCN(c2ccccc2)CC1 59676656 ZTFSYBGQECSAEE-SAPNQHFASA-N 452.341 5.509 50 40 JKGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\c2cc(O)c(Br)cc2Br)cc1 67197112 RYVSCTBGGZBZPE-PCIAILAOSA-N 494.227 5.469 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1 408542799 LDBNRHLVIOKHTP-IUXPMGMMSA-N 485.298 5.955 50 40 JKGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc1Br 408739971 HDTDBFGPJZTHMY-VULFUBBASA-N 486.797 5.839 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(OCC)c1OCc1ccccc1 408746304 RRQBYMHILUFVLL-UQQQWYQISA-N 452.554 6.247 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1)Nc1cc(Cl)ccc1Cl 408766867 TXKBMZWJCCLBEZ-RPPGKUMJSA-N 476.747 5.428 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccccc1Cl 408788869 MQWVRLAWSOPGEC-CXUHLZMHSA-N 475.734 6.911 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1C 408789806 LULRSECIWPEZRP-UDWIEESQSA-N 495.804 6.844 50 40 JKGB Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C 408798405 DYBFCFWGRUEYJC-RGVLZGJSSA-N 461.905 5.990 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccccc1F 408813524 OFXUVBSPICLWHP-SXGWCWSVSA-N 459.279 6.396 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(F)cc1 408843342 FRDJEIBMSDRJQE-KGENOOAVSA-N 456.904 6.757 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(OC)c1 408901010 ZERLQOSWPOXUKS-OKCVXOCRSA-N 488.971 6.162 50 40 JKGB CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)ccc1OCc1ccc(F)cc1 408906479 BVEJVNRSBAKRNJ-UXHLAJHPSA-N 478.564 5.593 50 40 JKGB CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1C 408961068 QRWOJORPHRNINV-VYYCAZPPSA-N 478.390 6.238 50 40 JKGB CCOc1cccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c1 409030664 FAHWDZUNEGWVLJ-JVWAILMASA-N 456.571 6.025 50 40 JKGB O=C(N/N=C\c1ccc(Sc2n[nH]c(-c3ccccc3)n2)c([N+](=O)[O-])c1)c1cc2ccccc2o1 409189508 HEALJLYDFROGNK-QFEZKATASA-N 484.497 5.041 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccccc2)cc1 409192903 FUDISPRKOMCONQ-STBIYBPSSA-N 457.961 6.090 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccccc1 409239599 HOUNLPOOUXSAQW-VBNMEBLOSA-N 485.798 7.010 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Cl)cc1Cl 409259086 ZPALJWVTTWWFSB-OKCVXOCRSA-N 499.438 6.571 50 40 JKGB COc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 409309728 LTVKHZMAPFRNAK-HMMYKYKNSA-N 486.505 5.588 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc(Br)cc1 409393815 SKPMAOLWOSXCNK-GRSHGNNSSA-N 486.768 7.283 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccc2ccccc2c1 661027 ABARFWWCWGXDPI-RUZDIDTESA-N 452.514 5.067 50 40 JKGB COC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccc(F)cc3)C3=C2CCCC3=O)sc2c1CCCCC2 714766 PDOYQINTBWXWOT-JOCHJYFZSA-N 491.588 5.247 50 40 JKGB O=C(CCCC(=O)N/N=C/c1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(-c2ccccc2)cc1 1691838 KKBJEKRLMYFNHC-VDTYKYKFSA-N 488.591 5.791 50 40 JKGB CC[C@@H](Nc1ccc(OC)cc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1 2097880 SJWCDPXAOGWNPI-PVPASAESSA-N 496.405 5.378 50 40 JKGB CCCN(CCC)c1ccc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)cc1 3085073 GRCBXNCRGLHTCA-OVVQPSECSA-N 466.423 5.922 50 40 JKGB CC(C)(C)c1ccc(OCc2ccc(C(=O)N/N=C/c3c(F)c(F)c(F)c(F)c3F)cc2)cc1 3238685 CBIBLGWPFFICHY-KLPHOBTLSA-N 476.445 6.023 50 40 JKGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 8842929 WHTSKYBFYZHTOF-OPEKNORGSA-N 451.788 5.220 50 40 JKGB C/C(=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 9087465 MTHQBDKFNFSCDM-MBTHVWNTSA-N 497.407 5.325 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1 9906017 BVUVDPFDWAPJIO-IWIPYMOSSA-N 496.994 7.189 50 40 JKGB O=C(NNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)Nc1ccc([N+](=O)[O-])cc1 12561484 GZZNEGVQWNWEDN-UHFFFAOYSA-N 462.402 5.526 50 40 JKGB N#CC1=C(SCC(=O)Nc2cccc(Cl)c2Cl)NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 13189497 CNYJGAOGRFBCMK-IBGZPJMESA-N 474.369 5.387 50 40 JKGB C/C(=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc(C)c([N+](=O)[O-])c1 13523604 LBTUOEKGKXEZRZ-MWAVMZGNSA-N 479.536 6.303 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)c(Cl)c3)nnc2-c2ccncc2)cc1 16712540 KGNDHFDSKSKHIL-UVHMKAGCSA-N 497.411 5.187 50 40 JKGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3c(Cl)cccc3Cl)cc2)CC1 20240561 MHPIVBUIHDXXKX-STBIYBPSSA-N 497.426 5.088 50 40 JKGB CO[C@H](C(=O)N/N=C/c1c(Br)c(C)n(-c2cc(C)cc(C)c2)c1C)c1ccccc1 20243812 NLEGFIUAUZJNER-XHEHIBSSSA-N 468.395 5.311 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)NC(SCCCC#N)=C(C#N)[C@H]1c1cc(OC)ccc1OC 20348178 LFJXQJNALYTKPK-HSZRJFAPSA-N 489.597 5.137 50 40 JKGB Cc1ccccc1CSCC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 28215853 XTEWDKCBQITJSR-RPPGKUMJSA-N 460.430 6.093 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1ccc(I)cc1 33552636 LKVWWZLOIALQLD-FSJBWODESA-N 477.733 5.116 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1C#N)c1cccc([N+](=O)[O-])c1 35213146 APFOGQCXFKDXSO-JMIUGGIZSA-N 460.287 5.872 50 40 JKGB O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C1c2ccccc2Oc2ccccc21 57476920 SXSFPQWYPGGJRC-FJEPWZHXSA-N 462.427 6.353 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)c1nc2ccccc2[nH]1 113833876 GBTFFKXLFMHCLY-KGENOOAVSA-N 480.365 7.122 50 40 JKGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1 408720290 XPYIFCHBSCGITH-RDRPBHBLSA-N 475.013 6.705 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3c(O)ccc4ccccc34)cc2-c2cccc3ccccc23)c1 408724159 GQUKNKCQYLZWGL-FMFFXOCNSA-N 496.570 6.624 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1c(C)cc(C)cc1C 408735940 ZPVYODXHBAIIGH-WSDLNYQXSA-N 474.988 6.707 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1 408744360 FBVOXBWAKLVTRN-YVLHZVERSA-N 485.740 6.366 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc2ccccc2c1 408793978 GXFKNJNUFGBGIE-JVWAILMASA-N 476.576 6.980 50 40 JKGB CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 408823050 DHBNHVPVEAJFRW-HAVVHWLPSA-N 496.994 7.405 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 408844505 TZRIDWGGQGGPTD-BYNJWEBRSA-N 491.657 5.359 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1Cc1ccccc1Br 408872183 ARNVIQIXSVAPCP-XDHOZWIPSA-N 465.322 5.733 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1Cc1ccccc1Cl 408873319 STWGIGVRNFRURE-RGVLZGJSSA-N 465.380 6.755 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2cn(Cc3cccc(C)c3)c3ccccc23)c(OC)c1 408875727 KIKDQQFQYFHEIK-OEAKJJBVSA-N 465.553 5.239 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)c(OC)c1 408889833 JQDWEVHVGFSACI-MDWZMJQESA-N 480.156 5.083 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 408892229 YCDAXVDJHBDNSC-KBKYJPHKSA-N 468.167 6.643 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccc(C)cc1 408892887 DLISLACLZVFXGR-KGENOOAVSA-N 485.496 5.375 50 40 JKGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 408909134 GNBNFQGIJHQCJM-FCFFNXBQSA-N 495.579 5.226 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c(C)n1-c1ccc(Cl)cc1 408927047 ZIVCFPPBBULPER-OVCLIPMQSA-N 489.746 6.508 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(F)cc1 408955138 SRJZTPZETAXPIN-HMAPJEAMSA-N 469.516 5.160 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccccc1Cl 409055377 IFHDUWKPQTZEPI-MZJWZYIUSA-N 457.357 6.043 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 409265568 VPZIGBPZNZUXDS-UDWIEESQSA-N 493.485 5.885 50 40 JKGB COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)c3ccccc32)o1 409393323 QEWRIDBOVSGZJI-KKMKTNMSSA-N 475.888 5.233 50 40 JKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccs3)c(OC)c2)cc1 1319970 GOSGHYGUUYASIC-CIRUFVMISA-N 466.559 5.019 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2)nnc1-c1ccc(C(C)(C)C)cc1 2328079 BMYLTIWOGGCDNP-AFUMVMLFSA-N 456.015 5.158 50 40 JKGB O=C(Cc1c(F)cccc1Cl)NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 13072389 TXLLYILQNUOZCV-UHFFFAOYSA-N 485.993 5.385 50 40 JKGB C[C@H]1CCc2[nH]c3ccc(C(=O)NNC(=O)c4ccc(COc5ccc(Cl)cc5)cc4)cc3c2C1 13118116 BEBBQXLFWCVGBC-KRWDZBQOSA-N 487.987 5.600 50 40 JKGB CN(NC(=O)[C@@H]1C[C@@H](c2ccccc2)N(c2ccccc2)O1)c1ncc(C(F)(F)F)cc1Cl 13399137 QFOKLZMNDZWBGK-PMACEKPBSA-N 476.886 5.173 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1cc2cc([N+](=O)[O-])ccc2o1 13945106 KNIOOMLNLBPZSR-SSDVNMTOSA-N 454.236 5.127 50 40 JKGB CCOC(=O)/C(C#N)=C/C=C(/c1ccc(Cl)cc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 16682003 XCUUEOKEHJCWQG-SBTGBCLZSA-N 490.818 5.823 50 40 JKGB Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 19949135 BNZHBUYVUWCSKX-JVWAILMASA-N 484.021 5.117 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)c1ccc(NS(C)(=O)=O)cc1 22744493 GAUAJZKTLLJONK-CEUNXORHSA-N 486.597 5.044 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 59336559 APLBXEYRWGAURK-ATVHPVEESA-N 457.744 6.771 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1 59474930 NMOGHKCNJSGAOK-MTJSOVHGSA-N 491.385 6.199 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1Cl 59536571 PTYZQAGGYUVQGL-UVHMKAGCSA-N 477.775 6.388 50 40 JKGB CCOc1ccc(NC(=O)C(=O)N/N=C2\CC[C@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@@]23C)cc1 71785140 MNXVBXWQINRGGF-ZZWMBHAXSA-N 489.616 5.061 50 40 JKGB COc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1OC 83314693 SYBZZWXQBLEEGI-ZMFRSBBQSA-N 459.329 5.354 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1ccc(F)cc1 107535465 IDASWPBAHPSKNH-YVLHZVERSA-N 456.286 6.379 50 40 JKGB O=C(N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1)c1cc2cc([N+](=O)[O-])ccc2s1 107538918 XJYATWWXCRAEQA-BRJLIKDPSA-N 458.421 5.383 50 40 JKGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc21 208246789 SWYSQHRCIPPBJU-REMUQMNCSA-N 460.987 5.213 50 40 JKGB COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H]5CC[C@@]4(C)[C@]3(O5)C(=O)[C@@H](Br)[C@]12C 253501322 XDHSPKUJYNEBHS-BFTYDWEGSA-N 481.471 5.308 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC 408536681 AHWXCFZTTNRXGE-RGEXLXHISA-N 456.970 6.252 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2F)c(Br)c1)c1ccc2ccccc2c1 408548571 IWRKZIMFIVGBEX-QRVIBDJDSA-N 458.330 7.385 50 40 JKGB N#C/C(=C\c1cccc2ccccc12)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 408719660 OPBLNUDZSDZGCX-KGENOOAVSA-N 454.360 7.609 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2cccc3ccccc23)cc1-c1ccc2ccccc2c1 408724223 IEWQCZHTZOMKBN-QNKGDIEWSA-N 480.571 6.918 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 408735205 OJPFCAXLPXXUEP-YBFXNURJSA-N 467.352 6.435 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1cccc(C)c1 408740639 CRYBHMUGILFNFH-NDENLUEZSA-N 477.358 5.891 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 408789834 RXDVJEAQHNWIGJ-YDZHTSKRSA-N 474.988 6.789 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408810323 IQVNNCXFVDBJDF-VYYCAZPPSA-N 493.903 5.736 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3cccc(Cl)c3)o2)cc1 408820218 UREMYIYZGPPUCD-DXJNIWACSA-N 479.967 7.130 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Br)C(=O)Nc1ccccc1F 408868526 ADWUCHZYXQCIMV-LDADJPATSA-N 469.741 6.378 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1Cl 408877967 ZCROKFFNXUUAQA-BHGWPJFGSA-N 465.178 5.927 50 40 JKGB COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 408891208 MYNHXZIECLGATD-GZTJUZNOSA-N 467.308 5.767 50 40 JKGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCCCC1 409029278 YEUSINLPNPKFLL-UHFFFAOYSA-N 468.406 5.015 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c(Cl)c1 409051284 KDPKBVUZKWINQU-LUOAPIJWSA-N 482.194 6.952 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(Br)ccc2Br)o1)C(=O)NC1CCCCC1 409120747 SXPDGHWNSSLARW-JLHYYAGUSA-N 478.184 5.827 50 40 JKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1 409180911 UOROBAHIDOHZPE-FDAWAROLSA-N 454.545 6.619 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1Cl 409250592 NCGSHTIIDMCERI-BKUYFWCQSA-N 473.960 5.828 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1 409392043 NIOJXNAYOXPZAZ-FSGOGVSDSA-N 454.957 6.201 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCC(=O)Nc1ccccc1 409394374 ZOIHBJGVCRNBFN-ODLFYWEKSA-N 495.348 6.069 50 40 JKGB Cc1cccc(N2C(N)=C(C#N)[C@@H](c3ccc(Br)cc3)C3=C2CC(C)(C)CC3=O)c1 1022599 QBKASLNLFLEENG-JOCHJYFZSA-N 462.391 5.698 50 40 JKGB CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)csc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 1791648 CISAYMMCPKFWJL-LFIBNONCSA-N 481.917 5.699 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3Cl)o2)sc2c1CCCC2 2286689 ZPEVUOSOBLSEDV-FYWRMAATSA-N 480.973 6.263 50 40 JKGB CCC(C)(C)c1ccc(OCCCC(=O)NNC(=O)Cc2ccc(Cl)cc2)c(C(C)(C)CC)c1 13148068 LKGYBXGIUWOXDA-UHFFFAOYSA-N 487.084 6.264 50 40 JKGB COc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1CSc1ccccn1 15930237 NBIZKBQEJWKETL-HRJIBFCWSA-N 471.582 5.453 50 40 JKGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)c2C)c1 25901258 UGEJJUSXCVKYSQ-HNSNBQBZSA-N 490.651 6.033 50 40 JKGB COc1ccc(CCCc2nnc(SCC(=O)N/N=C\c3cccc(Cl)c3Cl)o2)c(C)c1 33349583 KUODAOSFWJKWHS-ROTLSHHCSA-N 493.416 5.111 50 40 JKGB CC1(C)CC[C@]2(C(=O)NN)CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)[C@@H](O)C[C@]43C)[C@@H]2C1 33707982 APYOKISKLZLBOK-ZTOUVNLQSA-N 486.741 5.110 50 40 JKGB N#C/C(=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12)c1cccc([N+](=O)[O-])c1 34764756 PVVAZOPEAWXFMC-PDGQHHTCSA-N 456.889 5.906 50 40 JKGB CCCCCOc1ccc(CN2C(=O)/C(=N\NC(=O)COc3cccc(C)c3)c3ccccc32)cc1 46085130 NZDCSOCCTNCDCU-PNOGMODKSA-N 485.584 5.010 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1ccc(Cl)c(Cl)c1 59417847 ZTIOEGZJSBVRGX-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cc(Br)ccc1OCc1ccccc1 59471519 IGLNMBNJMTXKBG-DHRITJCHSA-N 495.402 5.147 50 40 JKGB CCOC(=O)c1c(NC(=O)[C@H](Br)CC)sc2c1CC[C@H](c1ccccc1)C2 74941539 XUFBZUQBAGXDBC-GOEBONIOSA-N 450.398 5.309 50 40 JKGB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)N/N=C/c5cc(Br)ccc5F)(C4)C2)C3)cc1 100846442 XXPTYNOPNGYVLP-ZJUXVIJNSA-N 469.398 5.885 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 101066463 HIGUANYDBXBZDX-GRSHGNNSSA-N 481.943 5.366 50 40 JKGB CCCCCCCCOc1ccc(/C=N/NC(=O)[C@H](O)c2ccc(Br)cc2)cc1 101659557 IHJHBBRDKJDQCT-YALBQKEFSA-N 461.400 5.372 50 40 JKGB CC(C)(C)c1ccc(C(=O)N/N=C2/C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 101661176 IDHKSBHGXLTJSL-TVKQRKNISA-N 461.565 5.818 50 40 JKGB Cc1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3ccccc3Cl)ccc2O)c([N+](=O)[O-])c1 102550062 VNQQYSGHLQKUKU-HDARYGDVSA-N 467.869 5.207 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(OC)cc1 107876293 AWSBUQUZTFFPFP-JCMHNJIXSA-N 499.567 5.274 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N\NC(=O)COc3cccc4ccccc34)cc21 223506308 KHQDVEGWAKSXTK-LQNQUEJISA-N 455.602 6.088 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc(Br)cc1 408532192 PXHBICWXUXISBX-LCYFTJDESA-N 474.108 6.444 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408584012 ZISRLJDKWOEVKP-LDADJPATSA-N 461.430 5.767 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 408734955 MBZGRVDKGPZNRV-UDWIEESQSA-N 481.379 6.825 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 408815668 XSRQFGRTEFTWMT-LDADJPATSA-N 463.877 5.381 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(Cl)c2)c(OC)cc1Cl 408834671 WVESSWXEAYHQQB-VXLYETTFSA-N 497.378 6.444 50 40 JKGB Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OC(C)C)c(Cl)c3)cc2)cc1 408836418 QZWYXIRBGPFLBO-HYARGMPZSA-N 460.961 6.560 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1cc(C)cc(C)c1 408888846 BTSXEMBKUYOYBQ-FSJBWODESA-N 474.988 6.707 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OCc1ccccc1Cl 408896993 PMWRWOXNJULXOF-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1c(Br)cc(C)cc1Br 408897578 YNCQADVOPRCHFX-FOWTUZBSSA-N 492.211 6.245 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)c1ccccc1 408979672 NXFJGQGRNDWHRL-PVPASAESSA-N 466.969 5.075 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1 408981934 FBPPSZMYDDHIHA-OCKHKDLRSA-N 496.781 6.952 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccccc3)o2)cc1 408995172 AKCNQSKOKUITRS-KAMYIIQDSA-N 455.333 5.748 50 40 JKGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)o1 409034296 NLZPXVHMJMBICF-LQNQUEJISA-N 475.504 5.932 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409067693 QTOIXLMKFNCSDN-FOWTUZBSSA-N 465.918 5.057 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1ccccc1C#N 409188044 FICKUTTXXHDCLI-JAIQZWGSSA-N 494.389 5.264 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1C 409267548 NOQIUATYWAVVIN-XDHOZWIPSA-N 477.923 5.659 50 40 JKGB CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C2C#N)cc1 409322884 YKQXYEHYUIXBIA-OAHLLOKOSA-N 477.533 5.138 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Br)cc3)o2)cc1Br 409358558 LWXXCIZAQPQWBY-SSDVNMTOSA-N 462.141 5.544 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3c(OCc4ccc(C(=O)O)cc4)ccc4ccccc34)[nH]c2c1 409391615 KDIGVPPCVSXLRN-STZFKDTASA-N 475.504 6.066 50 40 JKGB CCc1ccccc1Oc1coc2cc(OC(=O)/C(C#N)=C/c3ccc(OC)cc3)ccc2c1=O 1916181 CAYYNWJLDLYCRK-XSFVSMFZSA-N 467.477 5.669 50 40 JKGB Cc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 6245064 BBBCNKMPQJWHND-DHRITJCHSA-N 470.436 5.549 50 40 JKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3ccc(C)c(C)c3)ccc2O)cc1 10059254 CGQBSKDUEIFXKD-HKBNSZTNSA-N 458.562 6.467 50 40 JKGB CCCCOC(=O)CSC1=C(C#N)[C@@H](c2cccc(Cl)c2Cl)C2=C(O)CCCC2=N1 13174802 HJCYKJAROYEMPY-LJQANCHMSA-N 465.402 6.339 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@]21C(=O)N2c3c(cccc31)C(C)(C)CC21CCCCC1 14162283 KQDYZPJWRNVHSN-LJAQVGFWSA-N 471.601 5.022 50 40 JKGB CC/C(=N\NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 15133328 ZNSXJFQWLUBIBJ-PJJLUWSFSA-N 475.592 5.532 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccccc4)c(I)c3)[nH]c2c1 35227284 ZOVWFIGVEIJXRA-UNOMPAQXSA-N 491.332 6.119 50 40 JKGB CC(C)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 59224952 AWCAPKHXTYFXCH-RIYZIHGNSA-N 453.258 5.801 50 40 JKGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1 59473067 CFMNPOVVMNSDHB-STBIYBPSSA-N 490.625 5.604 50 40 JKGB Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1 59473388 LMGJWXVDKNFJTB-STBIYBPSSA-N 454.595 6.111 50 40 JKGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 83301891 APJNSVATBYRCSE-ZIBFIRQOSA-N 473.548 5.191 50 40 JKGB COc1ccc([C@H](Nc2ccc([N+](=O)[O-])cc2)P(=O)(c2ccccc2)c2ccccc2)cc1 95681613 GYEVGYLPXZWGGE-AREMUKBSSA-N 458.454 5.728 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 105068351 QDXYHTZZTMMJMY-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB O=C(Cl)/C=C/c1ccc(OCc2ccc(F)cc2Cl)c(I)c1 226334323 DSUYZVYYWWIQNW-QHHAFSJGSA-N 451.062 5.441 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccc(Cl)cc4)c3)CC2=O)cc1C 408601588 BMJYJXQWGQYJAL-HXUWFJFHSA-N 463.965 5.032 50 40 JKGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408616376 YFINFWJRPMTUKD-MZJWZYIUSA-N 486.355 5.060 50 40 JKGB CC1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2/C=N\NC(=O)Nc2ccccc2)CC1 408719423 MKHWRFHCUNDNDW-IMRQLAEWSA-N 478.597 5.223 50 40 JKGB Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccccc3C)n2)cc1 408724944 NEJSEJKFECPMPS-RUMWWMSVSA-N 470.576 6.587 50 40 JKGB N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(Cl)cc1 408755584 QWAHTULKVFGFIL-WJDWOHSUSA-N 471.727 6.412 50 40 JKGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc(Br)ccc3OC)c2C)cc1 408763350 MYWGKGFYFLFRTF-AFUMVMLFSA-N 454.368 5.192 50 40 JKGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 408766528 VEOBEJYXLCGHTA-CCVNUDIWSA-N 460.839 5.271 50 40 JKGB CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 408772144 BNGLPGRJAXQDOZ-RZNTYIFUSA-N 458.172 6.311 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(I)cc2)cc1 408797316 RCTUGQOBCNNQHE-XSFVSMFZSA-N 494.332 5.724 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OCc2ccc(C)c(C)c2)c1 408798468 ILTSUQGAEDPUKC-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1O 408849420 YJTIWUYHWGIFPH-MZJWZYIUSA-N 492.988 6.075 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1OC 408864699 ZEPNTPGILXTXMS-RDRPBHBLSA-N 454.526 5.129 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2cccc(F)c2)cc1Cl 408873724 VEPCXPYIUHKVIF-YBFXNURJSA-N 483.768 6.687 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccc(Cl)cc1 408897542 XSSDWXIMDLEAKV-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br 408982642 IRVDUVMUOXLPKX-MLPAPPSSSA-N 498.160 5.162 50 40 JKGB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 409000775 XWXUQKZKESDEEV-NXENVEDLSA-N 497.595 5.553 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OCC)c1OCc1cccc(F)c1 409075982 ZWUWZOURLLGSHN-MFKUBSTISA-N 470.544 5.755 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1ccc(C)cc1 409231077 IDFMQWLHIWXOJH-MBTHVWNTSA-N 499.380 5.567 50 40 JKGB N#C/C(=C/c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12)C(=O)NCCCc1ccccc1 409250965 YZTKRPUONZKCHI-ULJHMMPZSA-N 463.537 5.044 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3cccc4ccccc34)o2)cc1Br 409393000 UPELHZIKVZFQTR-MZJWZYIUSA-N 462.347 5.733 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(C)c(C)c4)c32)ccc1OCc1ccccc1 664757 WGDXVXHJHPFMRI-VWLOTQADSA-N 478.552 5.499 50 40 JKGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/C=C/c1ccccc1 1900244 GMBRSDVAKURFPH-OGMQXUJQSA-N 461.037 5.391 50 40 JKGB COC(=O)c1cc(N/C=C(/C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(C(=O)OC)c1 2205073 OXHXMBBJHBKSRU-STZFKDTASA-N 469.522 5.513 50 40 JKGB CC[C@@H](Oc1cccc(Br)c1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1 2771662 OYCKMOQQMIJJHC-NJRDNMGOSA-N 453.336 5.549 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 2774035 LMFMNELXDRTGJV-MDWZMJQESA-N 458.257 5.716 50 40 JKGB COc1cccc(/C=N/NC(=O)COc2c(C(C)C)cc(Br)c(C)c2Br)c1 3059362 RKBWURKTKQZGGT-AUEPDCJTSA-N 498.215 5.181 50 40 JKGB CSC1=C(C#N)[C@@H](c2ccccc2Cl)C[C@](OC(=O)c2ccccc2)(c2ccccc2)N1 3670793 CQSZTXJDLPGIHZ-RLWLMLJZSA-N 460.986 6.225 50 40 JKGB O=C1c2ccccc2O[C@H](c2ccccc2)[C@@]1(Br)[C@H](Br)c1ccccc1 4285484 ONSKQBKXYIPURM-CEMLEFRQSA-N 472.176 6.273 50 40 JKGB COc1ccc2c(Cl)c(C(=O)NNC(=O)C(c3ccccc3)c3ccccc3)sc2c1 8983944 VTOMIKULMWYYOT-UHFFFAOYSA-N 450.947 5.156 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)[nH]n2)cc1 9461334 GRMAJKNKXSAHTO-VUTHCHCSSA-N 467.573 5.266 50 40 JKGB CCCCc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCC)c(OC)c4)CC(=O)N3C2)cc1 9693554 QMVRJHADAMUJKF-QFIPXVFZSA-N 477.630 5.656 50 40 JKGB CCCCc1ccc(N2CSC3=C(C#N)[C@H](c4c(Cl)cccc4Cl)CC(=O)N3C2)cc1 12251061 GIQLGXPBYKKMRZ-GOSISDBHSA-N 472.441 6.555 50 40 JKGB Cc1cccc(NS(=O)(=O)c2ccc(C(=O)NNc3ccnc4cc(Cl)ccc34)cc2)c1C 13102653 ZOMHOOZJWOWYBL-UHFFFAOYSA-N 480.977 5.063 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 14151770 LSULHXGSVCJQEF-RIYZIHGNSA-N 486.391 5.214 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OCc1ccc(Cl)cc1 16195476 UOKSCNSXMKPIHN-LICLKQGHSA-N 450.325 6.521 50 40 JKGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=O)c2ccc(Br)cc2)cc1 20368428 WEPDZTZNRJHVHJ-YSMPRRRNSA-N 459.347 5.374 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)[nH]c2c1 34713807 IXTVSWNHZABOEG-JLPGSUDCSA-N 476.555 7.061 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 34764082 KOAYQBPWRNNKEP-MFOYZWKCSA-N 476.762 7.828 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccncc2)cc(Br)c1OCc1ccccc1Cl 38534827 MEJHEKVQSXRLON-LGJNPRDNSA-N 488.769 5.239 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1cc(Cl)cc(Cl)c1 58912997 YTACFFZMFOSDCH-OPEKNORGSA-N 463.752 5.143 50 40 JKGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1C 58913742 VPYJNSALMJQVDB-FDAWAROLSA-N 494.595 5.379 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@H](C)Sc2nc(C)cc(C)n2)ccc1OCc1cccc(Cl)c1 59503039 IMKPWWFDQUFENK-JYSLEBDSSA-N 499.036 5.355 50 40 JKGB Cc1ccc(C(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)cc1Cl 101090443 OIUWFXLUOGBHML-QYQHSDTDSA-N 496.792 5.134 50 40 JKGB CCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103528192 RWWLQFHGAGIOAN-JTQLQIEISA-N 486.200 7.399 50 40 JKGB Cc1ccccc1Cn1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21 107740905 RRKXPDBNBHVEIL-UZWMFBFFSA-N 473.576 5.384 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 108082827 SXIMAQSIMFJYFH-IDUWFGFVSA-N 470.268 6.453 50 40 JKGB BrC(Br)c1ccc2oc(-c3cccc(I)c3)nc2c1 216838483 CBOOGMZIKPFBMW-UHFFFAOYSA-N 492.936 5.888 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1cccc(Cl)c1Cl 408553870 QBQVFIZHSARYOH-GZTJUZNOSA-N 495.435 6.759 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccccc4Cl)c(Cl)c3)CC2=O)cc1 408611365 VZLPYFRVUQHVFP-SFHVURJKSA-N 484.383 5.377 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)c(Cl)c1 408740009 HOHQLLVPSXIBDM-DHRITJCHSA-N 473.802 5.340 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 408745871 WAXNTLMECVWHRY-ODLFYWEKSA-N 480.923 6.011 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccccc1Br 408746143 RGSDDRWEYJYCST-ATVHPVEESA-N 454.755 6.056 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(I)c1OC 408756497 VSRJMKCPORRBRR-MHWRWJLKSA-N 484.293 5.007 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccc(O)cc1 408790246 OGPSZXLBSOQVQM-CXUHLZMHSA-N 457.288 5.963 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(C(=O)O)cc1 408790322 VOUWPLVNAMWAIW-OEAKJJBVSA-N 470.525 5.525 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1 408794671 AQDYUKVSJAICIW-YDZHTSKRSA-N 474.988 6.789 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OC(C)C 408807087 ODFMCIBWLUXSBJ-RIYZIHGNSA-N 494.183 5.553 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1Cc1ccccc1Cl 408869043 OXDPBVFFIUAPNZ-WOJGMQOQSA-N 481.777 6.248 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(Cl)c2)cc1C 408879257 CLWRSJAHDDXIIL-CIAFOILYSA-N 479.805 6.856 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccc(Br)cc1 408880895 JICBDSODZVISGE-CAPFRKAQSA-N 497.348 6.367 50 40 JKGB Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 408894116 JEHOPDNYFWSSGE-LDADJPATSA-N 495.760 6.176 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)NCCc1c[nH]c2ccccc12 408952330 NJEDISFMDXCVJB-UYRXBGFRSA-N 497.467 5.042 50 40 JKGB COc1cc(C)c(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1C(C)C 408980043 PQJQZIVECPVOEX-HGFFDCOOSA-N 457.574 5.139 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)Nc1ccccc1 409042355 MNAKYOVMQAVUGO-RQZCQDPDSA-N 457.744 6.771 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2F)cc1Cl 409051309 BUNNZKQMUMIFNF-RPPGKUMJSA-N 475.745 5.893 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1cccc(F)c1 409200844 JNNDPVWKROMNFY-LGJNPRDNSA-N 458.942 5.309 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1C 409265421 SKYOTMLCMDPEOI-HYARGMPZSA-N 469.541 5.184 50 40 JKGB Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)c1 409271271 UAGPKSLMTSTLRX-WOJGMQOQSA-N 480.351 5.865 50 40 JKGB CC(C)Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(F)c(Br)c2)C(C#N)=C(N)O3)cc1 985869 CMVIKGSLAAJMFL-LJQANCHMSA-N 467.342 5.395 50 40 JKGB ClCCSCCCNCc1ccc(-c2c3ccccc3cc3c2ccc2ccccc23)cc1 1705585 ROHRCZLHPZFFKV-UHFFFAOYSA-N 470.081 8.265 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1O)c1[nH]c(-c2ccccc2)cc1-c1ccccc1 2135002 RDXXIHOGQGDUCF-CVKSISIWSA-N 460.331 5.581 50 40 JKGB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(N(CC)CC)cc1 2670140 ZLNFTXFFJHCBHH-CJLVFECKSA-N 487.625 6.292 50 40 JKGB COc1cc2c(cc1N/C=C(\C#N)c1nc(-c3ccc(Cl)c(Cl)c3)cs1)oc1ccccc12 8818309 MEXKJGDPKYGHRB-NTCAYCPXSA-N 492.387 8.001 50 40 JKGB CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)cc1 9042910 UGUMJZSPEKYTCC-LYBHJNIJSA-N 487.607 6.915 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)sc(C(=O)OC)c1C 9191486 OVMQTDQZXKEFHK-UVTDQMKNSA-N 471.535 5.259 50 40 JKGB CCc1ccc([C@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)cc1 9693154 FGJRUWLOXPYEFT-LJQANCHMSA-N 454.393 5.231 50 40 JKGB O=C(N/N=C/c1cc(/N=N/c2ccccc2Cl)ccc1O)C(O)(c1ccccc1)c1ccccc1 13895553 GRYHYGBTPYMISL-QGHGOCBHSA-N 484.943 5.847 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2n1Cc1ccccc1 14152264 NTULHCOGYSCDCZ-RCCKNPSSSA-N 476.605 6.356 50 40 JKGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 16157615 CIJOJKPFGGWEMZ-GLYQIKNISA-N 484.408 5.532 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2cccc3ccccc23)ccc1OCc1ccc(F)cc1 16689087 IUQCVWDCJJUUKJ-OCSSWDANSA-N 488.584 6.199 50 40 JKGB Cc1cccc(NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c1 18173210 JHQITRJGQNOGFH-UVHMKAGCSA-N 456.329 5.083 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)c1 18192472 WYRPSWTUDTZOER-ITYLOYPMSA-N 461.565 6.706 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1c(Cl)cccc1Cl 23724144 TZYJRBOPTKGLOV-DHZHZOJOSA-N 462.676 6.361 50 40 JKGB CN(C)c1ccc(/C=C(\C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1 27015845 IYEHDZBBKUZUMH-NBVRZTHBSA-N 491.041 6.907 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC 31906012 SKAXHJKYIUVXGI-NVNXTCNLSA-N 457.349 5.663 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(I)c1)c1ccccc1F 33653543 UXNCZLYVSUXTAH-PDGQHHTCSA-N 455.270 6.073 50 40 JKGB CC(C)C[C@H](Cl)COC(=O)c1ccc(-c2ccc(C(=O)OC[C@@H](Cl)CC(C)C)cc2)cc1 97961436 OBAGOTLMOOPYDB-ZEQRLZLVSA-N 479.444 6.974 50 40 JKGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)c(OC)c1 97994775 KVBNJFNIWGLXGF-WQRHYEAKSA-N 493.903 5.390 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@@H]2C 223594906 BCAURSOTGBJCBS-MAFAOTQISA-N 486.454 6.031 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC 408536855 BKMHIQKSOSTPDM-LTGZKZEYSA-N 485.024 7.032 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 408543128 PHGVLBNGJVSQKJ-XYGWBWBKSA-N 482.967 7.089 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1cccc(Br)c1 408676598 LGKGBBJKLRAYOK-WGOQTCKBSA-N 465.395 5.221 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3C)n2)c1O 408727797 XSAIONHVYMBTHX-UXHLAJHPSA-N 476.536 5.479 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1ccc(Br)cc1 408742333 ABCXDLJQCHSKEA-MOSHPQCFSA-N 458.315 5.445 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)sc(C)c1C 408745429 SCLQAQQTMQXYPV-BKUYFWCQSA-N 461.587 5.803 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1cccc2ccccc12 408761629 ACMDOOZGKJKLLH-LGUFXXKBSA-N 454.529 7.118 50 40 JKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)cc3Cl)c(C)c2)c1 408856918 MHKGSWOVOYIFRP-WSDLNYQXSA-N 479.407 7.352 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)cc1Cl 408982499 HJYKIFQHTDXFAO-UWVJOHFNSA-N 496.781 6.952 50 40 JKGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)o1 409235340 BKBLJLWUFZJDPA-LCYFTJDESA-N 457.364 5.428 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccc2ccccc2c1 409245616 WOKOWWFOIQCHBC-VEILYXNESA-N 476.576 6.083 50 40 JKGB COc1cc(/C=N/NC(=O)CC2(C)SCCS2)ccc1OCc1ccc(Br)cc1 409253662 BNZSCSLJQHWBJH-YDZHTSKRSA-N 495.464 5.073 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 409271537 MIZRNXNPFOQXDG-WKIKZPBSSA-N 470.356 5.392 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2)ccc1OC 409311047 DUSAMNXKYSNVIO-YSMPRRRNSA-N 483.362 5.199 50 40 JKGB CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(=O)CCl)CC[C@]4(C)[C@@H]3CC[C@@]12C 504206836 QEAJZMPKEHYDQO-YIMQIBRUSA-N 463.146 8.467 50 40 JKGB N#CC1=C(N)Oc2oc3ccccc3c(=O)c2[C@H]1c1ccccc1COc1ccc(Cl)cc1 1073624 UOHAPBVTYTZLKN-QFIPXVFZSA-N 456.885 5.244 50 40 JKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)cc1C 1816318 KTTUNFYECPNIQU-LFIBNONCSA-N 467.472 6.529 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 2670862 AILGNFGYKPCEQD-LFIBNONCSA-N 498.366 6.985 50 40 JKGB O=[N+]([O-])c1ccc(OC[C@@H](Br)[C@H](Br)c2ccc(Br)cc2)cc1 3065350 HDPOHNJNCLBYNQ-HUUCEWRRSA-N 493.977 5.636 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1)c1ccc(Br)cc1 3309635 AUJLYBPFOGATDC-NTEUORMPSA-N 452.657 7.445 50 40 JKGB CC[C@@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(NNC=O)cc1 4015997 OECVCYPIABDSEN-HSZRJFAPSA-N 453.627 5.931 50 40 JKGB CCn1c(SCC(=O)N/N=C(\C)c2ccc(-c3ccccc3)cc2)nnc1-c1ccc(Cl)cc1 9762513 LUGPSHUZTWYEHE-MTDXEUNCSA-N 490.032 5.918 50 40 JKGB COc1ccccc1/C=N/NC(=O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 9933383 IEGCJJSVMPEBJU-WEMUVCOSSA-N 471.560 6.584 50 40 JKGB N#C/C(=C(/Nc1ccc(F)cc1)SCC(=O)NC1CCCCCCC1)c1nc2ccccc2s1 12604250 KFOVNEABLOGEPS-NJNXFGOHSA-N 494.661 6.702 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccco1 13893447 YUMLAWMQNVJLAD-AFUMVMLFSA-N 486.384 5.467 50 40 JKGB O=C(CSc1cccc2ccccc12)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 16192902 OOVSWAQXDQICJV-LQKURTRISA-N 460.986 6.315 50 40 JKGB C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 19947970 TUENNAFDNHWAGI-SGWCAAJKSA-N 477.630 5.028 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccc2ccccc2c1 35104827 PZDMYTQBSQLUDO-FMCGGJTJSA-N 485.337 7.154 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Cl 40846860 QCZNESXBEVSMQR-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c(C)n1-c1cccc(Cl)c1Cl 58912964 PTGLXJQGHOTYTB-OPEKNORGSA-N 463.752 5.143 50 40 JKGB CCCCCCCOc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 100026255 DJGBRLRGQQECJX-XHLNEMQHSA-N 457.574 6.052 50 40 JKGB N#C/C(=C(/Cc1ccc(F)cc1)NP(=O)(c1ccccc1)c1ccccc1)c1ccc(F)cc1 104095940 WPFKLANJAXZSDR-BYYHNAKLSA-N 470.459 5.961 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccccc1Cl 408541651 DYPIVUOIIJLRFZ-VXLYETTFSA-N 498.760 6.452 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)c1ccc2ccccc2c1 408550016 COAZNIBUFRHZTN-UCQKPKSFSA-N 458.330 7.385 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1 408583669 WFUORNLJWFZPIX-XDHOZWIPSA-N 469.946 5.498 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1 408584083 ZWUPGYREAVKGAB-DEDYPNTBSA-N 477.358 5.848 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 408691767 PJMFNJRFGAHFDV-KBKYJPHKSA-N 494.220 5.726 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@H](OC)c2ccccc2)ccc1OCc1cccc(Cl)c1 408719873 NPBUBYHENPEHFH-UJBXUPAJSA-N 452.938 5.156 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 408725045 ILXPTJFJVMPFEP-GDNBJRDFSA-N 461.743 5.612 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc2ccccc2c1 408788709 MDPKOQACDAWTMF-CVKSISIWSA-N 462.549 6.590 50 40 JKGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 408833778 UYLIIKKVEYNLFN-CPNJWEJPSA-N 467.352 6.517 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OCC#N 408853190 ZMGYFSVKELSZRM-MNBJERMJSA-N 498.970 5.781 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1Cc1ccccc1Cl 408875305 JFGVYDXHIGSZPY-RGVLZGJSSA-N 465.380 6.755 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OS(=O)(=O)c1ccc(C)cc1 408889326 CMFPQEMWSGUCDH-CPNJWEJPSA-N 496.972 5.279 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(OCc2ccccc2F)c1 408890264 QNKIWOJJKXCUGX-YBFXNURJSA-N 450.897 5.921 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)c1C 409225071 OJNJUWWOTURYNF-XDHOZWIPSA-N 494.378 6.173 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC 409312607 MRRAYBPZTSOJHY-VYYCAZPPSA-N 473.356 5.744 50 40 JKGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1 409364682 OOPWNGUTXHFIRX-LGJNPRDNSA-N 472.770 5.244 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)ccc1OCc1cccc2ccccc12 409365730 RRKGCNWWYNFOLD-DXJNIWACSA-N 498.579 5.528 50 40 JKGB O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1ccccc1 409395880 STSINMHATCTIFR-UHFFFAOYSA-N 459.505 5.818 50 40 JKGB CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)c(Cl)c4)ccc32)cc1 606422422 ANCXHQQCTDWKNP-QFIPXVFZSA-N 483.376 6.153 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)Nc1ccc(O)cc1 797801 WZLPOMFYRCJYAO-QGOAFFKASA-N 472.342 5.703 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Sc3ccc(C)cc3)o2)c1 1095445 IZNJEJRKMHJQRG-XNTDXEJSSA-N 469.360 6.056 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)NCCc1c[nH]c2ccccc12 1096973 DNSHKCVHIZAZRT-GZTJUZNOSA-N 450.325 6.001 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2Cl)NC2=C(C(=O)CCC2)[C@H]1c1ccco1 2218114 XINOOLHLMHNFNY-HXUWFJFHSA-N 474.369 5.387 50 40 JKGB N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2269223 YVVWARJMHCRGNS-FYAMCCBRSA-N 488.012 5.125 50 40 JKGB O=C(N/N=C/C1=C(c2ccccc2)Oc2ccccc2[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])o1 2291146 MHOYKVUBLKYOGY-ISAGNRBTSA-N 465.465 5.539 50 40 JKGB Cc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)N=C3CCCC(O)=C32)o1 2310887 FQAPPFFXVOQWAF-OAQYLSRUSA-N 453.951 5.883 50 40 JKGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 3049703 RYFALXJIXIZBHT-FOKLQQMPSA-N 463.784 5.746 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(NC(=O)c3ccccc3OC)Oc3ccc4ccccc4c32)cc1OC 9113113 SUZVXTWUPUARMI-HHHXNRCGSA-N 492.531 5.555 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1cccc2ccccc12 9614416 HYWLDKVIRMYJTE-FDAWAROLSA-N 496.563 5.604 50 40 JKGB N#CC1=C2SCN(c3ccccc3F)CN2C(=O)C[C@@H]1c1ccc(OCc2ccccc2)cc1 9693588 GHVBLPDMJYFEFW-JOCHJYFZSA-N 471.557 5.624 50 40 JKGB Cc1cc([C@@H]2C(C#N)=C3N=C(N)c4c(sc5c4C4CCN5CC4)N3C3=C2C(=O)CCC3)c(C)s1 12445316 PKJHONGOPDCQMS-HXUWFJFHSA-N 487.654 5.189 50 40 JKGB COc1ccc(COC(=O)N/N=C(\C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 16137018 JKWSDYADLMVWRU-LQKURTRISA-N 475.501 5.234 50 40 JKGB CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N1 20190198 GIDJDTARKZEIQZ-HSZRJFAPSA-N 482.005 5.361 50 40 JKGB C/C(=N\NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccc(C(C)(C)C)cc1 20240641 MDXVKAPSHLSGRU-IWBSIUBASA-N 481.684 6.593 50 40 JKGB CC(=O)Nc1cccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1 33403995 HVPJLTKLUUCDDF-IPPBACCNSA-N 493.394 6.027 50 40 JKGB Cc1sc2nc(/C(C#N)=C\c3cn(-c4ccccc4)nc3-c3cccc(Cl)c3)nc(O)c2c1C 33648739 KURCWGAKLOBLMN-WQRHYEAKSA-N 483.984 6.584 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c1 33765826 BRXSBEKGNDGDTA-ZHZULCJRSA-N 475.342 5.831 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 35252032 MFIKOIMUUMFKBP-ZDLGFXPLSA-N 480.274 5.909 50 40 JKGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 58925395 MZDIUDIXUGAGQK-YZSQISJMSA-N 490.412 5.038 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 59336078 NFKQJCQDXHSAGF-PDGQHHTCSA-N 468.340 5.733 50 40 JKGB CCCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)F 103528611 LOZYFCHXSYDQKJ-IBGZPJMESA-N 462.422 9.004 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)c1 107933933 PLUHDDIRUADHHI-MZJWZYIUSA-N 492.373 5.233 50 40 JKGB COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1 108166039 HFUOJXIIARYVGI-ATVHPVEESA-N 496.350 5.565 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408599091 OPHCJNDWIOBHQQ-WKULSOCRSA-N 485.411 6.642 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)cc2Cl)c1 408675807 BBRLPSPZVQDAIH-MUFRIFMGSA-N 482.411 6.245 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccccc1 408745100 PIZIIFZUNVRLBV-NDENLUEZSA-N 477.358 5.891 50 40 JKGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)cc(C(C)(C)C)c1O 408758673 OXBHOPDJJQGQGQ-FDAWAROLSA-N 456.630 6.322 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)cc1 408787729 FKWFPJZPRAFDND-YBFXNURJSA-N 481.777 6.536 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 408790796 YVFLGSWDHLMYGS-AWNIVKPZSA-N 483.735 5.143 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408793856 QMONIQFBRSVDFF-XMHGGMMESA-N 489.358 7.378 50 40 JKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c1 408820243 USSFTUCAXZSAKI-UDWIEESQSA-N 451.353 6.735 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)cc1C 408875272 IJNDEZRMBHIFBD-RGVLZGJSSA-N 484.905 7.100 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1Br)C(=O)Nc1cccc([N+](=O)[O-])c1 408886145 DSRWNJWYFRWEGI-LDADJPATSA-N 478.302 5.482 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408935608 IBZKIEXNXCQLAQ-PXNMLYILSA-N 492.189 7.425 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)cc1 408951075 KWRXTWLRZWWJSU-JLPGSUDCSA-N 480.568 5.018 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)cc1Cl 408965631 WPQSXYVHFBQLPB-LUOAPIJWSA-N 454.279 6.184 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc2ccccc2c1 408983374 LQRYAFPAGVMOSG-MFKUBSTISA-N 496.994 7.325 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1OCc1ccccc1 409075034 WYIKQXPXPMLAPZ-YZSQISJMSA-N 466.581 6.555 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccccc1 409229825 ABSWYCNPKKMEOE-HLILLCKBSA-N 477.520 6.111 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 409258554 UPSPNKMWFNGSRM-AFUMVMLFSA-N 478.302 5.463 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409261863 DSUBDEQUCUOLIA-KGENOOAVSA-N 487.531 5.404 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1OC 409320356 CUZHKAVYDNMTCZ-MBTHVWNTSA-N 485.367 5.910 50 40 JKGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccccc1OCc1ccccc1Cl 658689 NVGBNPLCVJHZLU-QFIPXVFZSA-N 456.885 5.244 50 40 JKGB C[C@H](Br)[C@@H](OC(=O)c1cccc2ccccc12)c1cc2c(cc1Br)OCO2 1614633 GEJXKMLDJJULNO-FKIZINRSSA-N 492.163 6.013 50 40 JKGB O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cc(C2CC2)nc2ccccc12 1835319 XYVZVHHCPDFRGI-AUEPDCJTSA-N 489.167 5.107 50 40 JKGB C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 3167055 GGEPHDCFUUODEW-OXDIXYSQSA-N 474.560 6.490 50 40 JKGB O=C(O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1)N2 6474025 GEQGUCRYYIPLPX-PFHNCQMRSA-N 480.973 6.332 50 40 JKGB CCC[C@H](Br)C(=O)NCCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 8733045 WHMWRZKNJHYMOP-MHZGPWMTSA-N 461.444 5.163 50 40 JKGB N#CC1=C(N)Oc2cc3ccc(Br)cc3cc2[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 8781598 BIYSQHCMMJXSLL-IBGZPJMESA-N 456.683 5.382 50 40 JKGB N#C/C(=C\Nc1ccc(Br)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 9353353 HBZDEYMXAGEPEY-SDNWHVSQSA-N 450.317 5.656 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(CC(C)(C)CC3=O)N2)c1C 13080566 FHJWGCILRMMESC-QHCPKHFHSA-N 477.655 5.802 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCc1ccccc1 59336045 DTNSNKJKZRFVCL-STZFKDTASA-N 493.390 6.855 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(C)cc1 59336284 DEYLBWIVWVBEDX-MOSHPQCFSA-N 481.379 6.825 50 40 JKGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1CC=C 59336514 HUEKEVZGTQLTCX-WJDWOHSUSA-N 490.184 6.042 50 40 JKGB COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCc1ccc(F)cc1 100195094 AIKXQGKBAHCCGB-JMIUGGIZSA-N 452.489 5.422 50 40 JKGB CCCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC 107757176 KCMWBLWRCUUUHA-WOJGMQOQSA-N 457.368 5.799 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 110259045 JCBSNSAYJDWPOW-SXGWCWSVSA-N 462.374 5.276 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 408579926 LMYZPTSEXVNNRV-WOJGMQOQSA-N 453.325 6.084 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Br)c1)c1ccc(Cl)cc1Cl 408580382 PBMNSEICZGYCDU-LZYBPNLTSA-N 477.160 7.538 50 40 JKGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 408611169 QBALHNCDUYKYBC-MZJWZYIUSA-N 470.356 5.224 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1 408772194 CGYFLSFLKPAKTF-XLNRJJMWSA-N 493.519 6.271 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1ccc(Cl)cc1 408802515 YLNJGURSEYZBDN-FWMOMEHNSA-N 452.982 5.920 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 408803971 BILUEQVIVOEFKR-CJLVFECKSA-N 452.941 6.926 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)ccc1OCc1ccc(Br)cc1 408811485 LKUYKPAKJDDPRE-PUMYGXPMSA-N 457.368 5.248 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OCc3ccccc3)cc2)c1C 408823009 CAKZMFOSYNXFQK-ITYLOYPMSA-N 461.565 6.527 50 40 JKGB O=C(Cc1ccccc1)NNC(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 408843394 MEDRZBMFLLVVFH-UHFFFAOYSA-N 498.391 5.464 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(C)c1OCc1ccc(Cl)cc1Cl 408846959 KUSFLOHIMATNSZ-KKMKTNMSSA-N 461.776 6.607 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)c(O)c(Cl)c2)cc1 408854109 XVXNLVMWXXZRPK-MBTHVWNTSA-N 464.352 6.229 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1c(C)ccc2ccccc12 408876993 SIJGULIVAFPILL-XQNSMLJCSA-N 480.539 6.811 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OCc1cccc2ccccc12 408886212 FITZUVGYHYZSRB-ZCTHSVRISA-N 460.533 6.345 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)c([N+](=O)[O-])c1 408888273 YIYVZDFFHVMFIR-LFIBNONCSA-N 498.322 6.035 50 40 JKGB Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1 408893046 FCGXVKSMBWVFKC-CPNJWEJPSA-N 461.315 5.522 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Cl)c1OCc1ccccc1 408895454 MWDKIRIWMLPJGK-RGVLZGJSSA-N 491.931 6.080 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)cc1Cl 408941875 QRHKFPHVFMQHQE-KBKYJPHKSA-N 477.779 5.452 50 40 JKGB COc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)c1ccc(Cl)cc1Cl 409127816 JYHQCHPYJKYENY-UHFFFAOYSA-N 485.323 5.015 50 40 JKGB CCOc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)c1ccc(Cl)cc1Cl 409133719 QYVPWLRINHAHCV-UHFFFAOYSA-N 499.350 5.405 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1cccc(C)c1C 409272812 SMUDNKVZGNIMNF-HYARGMPZSA-N 469.541 5.184 50 40 JKGB Cc1cccc2c(-c3ccccc3Cl)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)[nH]c12 409397808 OHBSRRATILTGAH-UHFFFAOYSA-N 497.938 6.373 50 40 JKGB Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)nc2ccccc2c1=O 2211468 OEUFDWCFLGHRBJ-STBIYBPSSA-N 484.625 5.234 50 40 JKGB Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)N/N=C/c2ccccc2OCc2ccccc2)c1 3060911 AZFFWTVODCIYSO-PGHBFPSBSA-N 474.604 6.339 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)CCCOc1cc(C)ccc1C 6162797 YDASCEVCATYEPA-KOEQRZSOSA-N 498.579 5.300 50 40 JKGB CCOC(=O)c1c(N/N=C(\C#N)c2nc3ccccc3[nH]2)sc(SC#N)c1-c1ccccc1 9097167 UHDJHWXDLIFHAT-OGLMXYFKSA-N 472.555 5.381 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 13388104 ZUIOHMGXHMQDTJ-KGENOOAVSA-N 467.456 6.012 50 40 JKGB N#C/C=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 35177693 ZGQZMLSXDVFTAH-OWOJBTEDSA-N 461.968 6.634 50 40 JKGB CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 59333993 JXGRKYJJAKOWFQ-ACAGNQJTSA-N 488.596 5.983 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1P(=O)(c1ccccc1)c1ccccc1 97950124 FXCYJNJQLLGGGH-QHNMYUOLSA-N 494.511 5.958 50 40 JKGB N#C/C(=C/Nc1cc(Cl)cc(Cl)c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 100480640 WWMVVVCQVOGFGW-XFXZXTDPSA-N 485.308 6.108 50 40 JKGB O=c1nc(Nc2ccccc2)ccn1/C(=N\[C@@H](Cl)c1ccccc1)C(Cl)(Cl)Cl 100928701 ZEHRKWKTQWKYAD-CCZPVOIUSA-N 456.160 5.541 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(Br)cc1 103310168 IIBQBMOAHRVCGE-SDNWHVSQSA-N 472.136 6.017 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCC(=O)c3ccc(C)cc3)N=C3CC(C)(C)CC(O)=C32)cc1 104114262 FSHGOTQWPFBJMJ-RUZDIDTESA-N 472.610 6.525 50 40 JKGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1 107705235 XUGCNNXOFWZIST-LGJNPRDNSA-N 456.329 5.295 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c3ccccc32)c1 408543265 PYUWQUFVRVXXPZ-AMVVHIIESA-N 479.458 5.259 50 40 JKGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 408606734 ANRSOGNMCSYWMX-FJEPWZHXSA-N 498.410 5.462 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1ccc(N2CCCC2)cc1 408676462 IZVULGHXHATWRR-LQKURTRISA-N 468.384 5.937 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1cccc(C)c1 408676992 OGCCRFACOFTKQA-UXHLAJHPSA-N 492.019 5.990 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)c(OC)c2)c1 408744737 GZCZTSLTBDEDRA-XKZIYDEJSA-N 453.498 5.090 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(I)cc3)o2)cc1 408744891 NWPLKCITQFSUNL-SSZFMOIBSA-N 484.293 5.496 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(Br)c2)cc1 408796029 OBEBVKOXEQYTQJ-HYARGMPZSA-N 475.386 6.445 50 40 JKGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)cc2OC)c1 408805057 CVABVEABRANQOB-VZMFNRANSA-N 472.541 5.076 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc([N+](=O)[O-])c2)cc1 408808575 QHUFKYHSLARVQX-LDADJPATSA-N 463.877 5.381 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3Br)c2C)cc1 408815124 IKECCABHRXHQNJ-MOSHPQCFSA-N 464.363 5.089 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc(F)cc1 408821541 IRXCUJYQDNSGLI-YVLHZVERSA-N 454.860 5.751 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OCc2ccc(F)cc2)c1 408866977 HRVIJLZWAFBJBH-WOJGMQOQSA-N 470.422 5.978 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 408884174 WCWHEFUOPMLDBC-MHWRWJLKSA-N 482.279 5.666 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1cccc(Cl)c1 408893119 FNCGKDWOAWYLBW-XSFVSMFZSA-N 452.897 6.258 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1 408896152 PLSGQORISYGRPY-DHRITJCHSA-N 496.386 5.412 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(F)cc1 408897637 ZEGOOFPEAMLOJV-UVHMKAGCSA-N 461.320 5.874 50 40 JKGB Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1 408904511 KQZRVCOABVJHDX-WGARJPEWSA-N 495.377 5.239 50 40 JKGB Cc1cccc(Cn2cc(/C=N\NC(=O)COc3cccc(Br)c3)c3ccccc32)c1 409001219 VNZOYNNIVHCTRP-VYYCAZPPSA-N 476.374 5.290 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)COc3cccc4ccccc34)c2)cc1C 409020295 NONFWSQEBTZPMP-LQNQUEJISA-N 481.552 5.003 50 40 JKGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1cc(Br)ccc1O 409076631 BHXXXMPZMJXJFB-UFFVCSGVSA-N 451.729 5.316 50 40 JKGB CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)c2cc3ccccc3o2)o1 409192237 VWKICONZYHIIJL-ZMFRSBBQSA-N 450.878 5.675 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 409192434 CMATVEBTNQYJAM-MUFRIFMGSA-N 492.959 5.508 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc(OCc4c(Cl)cccc4Cl)c3)CC2=O)cc1 409253240 FHJZUYRZNUQTBC-VKABLRQNSA-N 496.394 5.384 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 409265321 HLPJIGLCMIMNIN-XSFVSMFZSA-N 489.959 5.610 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 409365420 QRIZYJNABAPRQH-KBVAKVRCSA-N 487.987 6.033 50 40 JKGB CCN(C(=O)c1ccccc1Cl)[C@@H](c1ccco1)P(=O)(c1ccccc1)c1ccccc1 1735486 ISXBQWLZROUGHU-AREMUKBSSA-N 463.901 6.108 50 40 JKGB N#CC1=C(SCC(=O)c2cccc(Cl)c2)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 3248524 VOGFKIQHURYVQW-JOCHJYFZSA-N 452.938 5.524 50 40 JKGB N#CC1=C(N)N(c2ccc(Cl)cc2[N+](=O)[O-])C2=C(C(=O)CCC2)[C@@H]1c1ccccc1C(F)(F)F 8856806 CSZMRGBGSQWODK-HXUWFJFHSA-N 488.853 5.572 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1ccccc1Cl 9292483 CPMACACLOSCOIJ-QFIPXVFZSA-N 454.917 5.527 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1cc2c(ccc3ccccc32)o1 16526098 JHRPRBYAIGLXHO-LGJNPRDNSA-N 459.845 6.172 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c[nH]c3ccc(OCc4ccccc4)cc23)c([N+](=O)[O-])c1 27532468 PWVYPEANJIYEAR-WOJGMQOQSA-N 468.469 5.209 50 40 JKGB COc1ccc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 33682051 FFOATTMGNXZOPU-ZHZULCJRSA-N 483.549 5.369 50 40 JKGB C#CCOc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cccc1OC 35131188 VQBSWIURIRNUKS-YKQZZPSBSA-N 497.551 5.051 50 40 JKGB COc1cccc(C(=O)N/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 59248529 FPKKTLUHDGFAHH-SSDVNMTOSA-N 465.756 5.619 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 59334666 MYOPUSAQIOIANW-CHHVJCJISA-N 498.204 5.729 50 40 JKGB CC(C)=C(/C=C/O[C@@H](C)c1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195752859 DULZICHRUDRDGE-PJEOMBKJSA-N 470.729 7.191 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc(Br)cc1 408580503 PVRYANKJLPATHY-WOJGMQOQSA-N 459.170 7.399 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)Sc1nc2ccccc2[nH]1 408599066 OGPYBYJNWPDRKT-YBFXNURJSA-N 452.366 7.105 50 40 JKGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408610898 OVYPZJWAFCOGDY-RWPZCVJISA-N 498.366 5.226 50 40 JKGB Cc1cc(/C=C(\C#N)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 408777480 AFTNLPSUAJYAPE-KOEQRZSOSA-N 483.409 7.500 50 40 JKGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(OC)c1 408788521 KQLFEHNEWXCGER-HAVVHWLPSA-N 455.558 5.666 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OCc2c(C)ccc3ccccc23)c1 408806258 MIMXHKCBUJICLP-PCLIKHOPSA-N 476.576 6.898 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccccc1F 408809636 HFWSDVNFHOXEJV-WQRHYEAKSA-N 468.887 6.142 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 408816862 WSWOYFGDYZDVCP-LJUMEUDFSA-N 497.982 6.837 50 40 JKGB Cc1c(Cl)cccc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(=O)(=O)c1ccccc1 408827500 HTEASNZQODFNFV-UHFFFAOYSA-N 490.069 5.552 50 40 JKGB COc1cc(OC)c(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(OC)c1 408847614 NSRSXZSFTPBIOV-MIXAMLLLSA-N 469.541 5.242 50 40 JKGB Cc1cc(/C=C(\C#N)c2cccc(Br)c2)cc(C)c1OCc1ccc(Cl)cc1Cl 408851369 YAYGDQMPAXJUFB-KEBDBYFISA-N 487.224 8.016 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(C)c1OCc1ccc(F)cc1 408857640 PBBORGNTPXBHMS-LGJNPRDNSA-N 455.327 5.548 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(OCc2ccccc2Cl)c1 408878580 CAHSCHSWINZWKN-XDHOZWIPSA-N 467.352 6.435 50 40 JKGB Cc1ccc(Sc2oc(/C=C(/C#N)c3ccc(Cl)cc3Cl)cc2Br)cc1 408908815 DHLHPTDNWMHVLB-JYRVWZFOSA-N 465.199 7.873 50 40 JKGB O=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1 408933117 HRCZZWMKNFSUSO-YPXUMCKCSA-N 490.696 5.985 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)COc3ccc(-c4ccccc4)cc3)c2C)c1 408966745 NFMOHGNQEPZUQJ-DXJNIWACSA-N 495.579 5.467 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(C)c1 409202652 SLTOKFKWAFRYEQ-UVHMKAGCSA-N 489.424 6.132 50 40 JKGB O=C(/C=C/c1ccccc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1cccc2ccccc12 409226073 RVRQDKKQWCMJPN-NNCYIJSDSA-N 454.913 5.876 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2OC)cc(Cl)c1OCc1ccc(Cl)cc1 409259592 BEGHZRXKUOBERE-MZJWZYIUSA-N 473.356 5.744 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)cc2)cc1OCC 409314680 GTPCQIDGAHLXJA-QRQIAZFYSA-N 450.510 5.356 50 40 JKGB Cc1c(/C=N/NC(=O)CNc2cccc3ccccc23)c2ccccc2n1Cc1ccccc1Cl 409393251 WMRVQQVKQVIISK-VTNSRFBWSA-N 480.999 6.367 50 40 JKGB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@@]4(C)[C@@]3(O5)C(=O)[C@@H](Br)[C@@]21C 2038223634 XDHSPKUJYNEBHS-WFHXSGHESA-N 481.471 5.308 50 40 JKGB CC(C)(C)[C@H]1CCc2c(sc3ncnc(SCC(=O)NNC(=O)c4ccc(Cl)cc4)c23)C1 1223119 ZIMCIKDEKBIXCD-AWEZNQCLSA-N 489.066 5.049 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 1454109 CAGGVVRUAZHFRL-SFQUDFHCSA-N 480.376 6.846 50 40 JKGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1[nH]c2ccc(Br)cc2c1-c1ccccc1 1951974 PHSXMQGIXSTWOF-ZMOGYAJESA-N 463.291 5.270 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 2078459 GXCGXQOXNAMETA-LGJNPRDNSA-N 459.329 5.110 50 40 JKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)c(Br)c1 4081794 KHVXUVPMXRMBTQ-KNTRCKAVSA-N 476.374 5.273 50 40 JKGB N#C/C(=C\Nc1ccccc1OC(F)(F)[C@@H](F)Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 9008820 NZAUATXKYUDEPT-YFPIXMDGSA-N 480.855 6.201 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccc(Cl)cc1 12585948 TZHXEBLQMXGXGT-CAOOACKPSA-N 487.770 6.780 50 40 JKGB COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 28217822 UWZRQVORWMHTKM-HGQHNSGJSA-N 497.389 5.183 50 40 JKGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1 33689190 WVGUHENAEMMTDQ-LFIBNONCSA-N 480.376 6.685 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccccc1F 35418952 SFZKFZRYSKBRQP-MZJWZYIUSA-N 493.516 5.690 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1 59224885 NOICITZQJXPPQS-YBFXNURJSA-N 467.352 6.435 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(F)cc1 59225001 BUOOAHCBUSDEJA-PXLXIMEGSA-N 452.485 6.112 50 40 JKGB O=C(N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)C1c2ccccc2Oc2ccccc21 71335805 ZWKXUOPFBNOLFF-VFLNYLIXSA-N 497.765 7.295 50 40 JKGB O=C(c1ccc(OC(F)F)cc1)[C@@H](Br)[C@H](Br)c1ccc([N+](=O)[O-])cc1 98042970 MGBFLOWZOCIWBB-KGLIPLIRSA-N 479.071 5.279 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1ccccc1 108001431 AUQJHPHXFMNOQU-UNOMPAQXSA-N 452.323 6.630 50 40 JKGB C[C@H](Cc1cc(=O)c2c3c(c4ccccc4c2o1)O[C@@H]1CC(=O)O[C@H]31)O[Si](C)(C)C(C)(C)C 195752310 JGZYPNASVFRGCR-GXXNXVLISA-N 466.606 5.648 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 209656313 JBQFBGNJCFXYOU-ZROIWOOFSA-N 477.929 5.656 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OCc1cccc2ccccc12 408531392 NVUBDKWBCZSZIL-FDAWAROLSA-N 467.569 5.688 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1ccc(C)cc1 408542912 LSZURGPCNLPDLK-NHDPSOOVSA-N 478.342 6.108 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccccc1-n1cccc1 408755958 QAPJGCPBKAOYNL-ZVHZXABRSA-N 479.290 5.172 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 408761491 FBROPQUIXBAEED-LDADJPATSA-N 451.309 6.067 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3C#N)c3ccccc23)cc1 408788659 LYDMRGRBPUOMRB-HZHRSRAPSA-N 474.520 5.284 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC 408797476 RWSLABMENQDKKC-XNTDXEJSSA-N 459.727 5.059 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)c(C)c1 408797804 TUABCRUXYRQPON-KEBDBYFISA-N 495.362 6.433 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1c(C)ccc2ccccc12 408800072 KDVVJKJFMOIQJO-OEAKJJBVSA-N 496.994 7.243 50 40 JKGB Cc1c(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccccc1 408845225 LOXWHPZWYCKIRE-WJDWOHSUSA-N 499.206 6.165 50 40 JKGB CCOc1ccc(NC(=O)N/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 408857939 NSUZWZZYQILYSX-FMCGGJTJSA-N 494.798 6.401 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(OC)c1 408871384 YWKRJINWHYXEHY-BUVRLJJBSA-N 496.994 7.189 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OCc3ccccc3Cl)c2)c([N+](=O)[O-])c1 408890027 MSUFQDAHTRTXBS-WOJGMQOQSA-N 493.903 5.390 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(C(=O)O)cc1 408897839 ZTVOHXVYTFMMBB-WOJGMQOQSA-N 467.308 5.816 50 40 JKGB O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cccc(C(F)(F)F)c1 408963849 PRDLSSUNVUKFDY-IBBHUPRXSA-N 482.889 6.855 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCc1ccc(C)cc1 408971035 GESFXKWPFXEWIO-LQKURTRISA-N 458.514 5.491 50 40 JKGB Cc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccccc1 408978786 KDJVEHZKDPJBGG-LQYQJCSBSA-N 464.569 5.106 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccccc1C 409008333 WAVSXPXYAKYXLC-HMAPJEAMSA-N 469.541 5.184 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 409022700 PUNWUTCCDDFEMA-GATIEOLUSA-N 471.300 5.819 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2F)c1C 409044690 WSTXCVBVBIZUDM-VXLYETTFSA-N 469.343 6.874 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1Cl 409051851 GSPAPOVNJASGKT-RPPGKUMJSA-N 457.313 5.343 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1O[C@@H](C)CC 409188145 BHSWEMGHYOUUDW-ZXCVBSDHSA-N 453.764 5.442 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OCC)c1OCc1ccccc1Cl 409191958 RAUNTKDXRPNLEM-MUFRIFMGSA-N 483.395 6.464 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)cc1C 409259559 ASILXTSTYKHNAQ-BKUYFWCQSA-N 473.960 5.828 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(OCC)c2)cc1OCC 409317004 NKOYDYGFBGJXFZ-YKQZZPSBSA-N 492.547 5.531 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1OC 409317098 NZRKZDUFFUNPBV-YSMPRRRNSA-N 483.362 5.199 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccccc1F 1186263 IDNCFOSORSSVHE-LICLKQGHSA-N 496.292 5.621 50 40 JKGB N#C/C(=C\Nc1ccc2oc(=O)ccc2c1)c1nc(-c2ccc(Br)cc2)cs1 1302142 JOLZJUBQBHLGOS-RVDMUPIBSA-N 450.317 5.656 50 40 JKGB N#C/C(C(=O)Nc1cccc(Cl)c1)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2269154 FFKSIZPNNCLPDU-IVYNLYIOSA-N 494.403 6.058 50 40 JKGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1cc(C2CC2)nc2ccccc12 2319557 HDEIBSYBENHKSB-AUEPDCJTSA-N 489.167 5.107 50 40 JKGB C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1c[nH]c2ccc(Br)cc12 2766125 DSCCPOIAZFWWQV-PYWPZVNCSA-N 492.373 5.427 50 40 JKGB N#C/C(=C/c1ccc(Cl)cc1)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 8781492 GJPHEGYZRACSIZ-DHDCSXOGSA-N 458.270 7.415 50 40 JKGB CCCCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 8809591 WYLHPYCOEKCECM-ZMOGYAJESA-N 467.353 5.057 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 12555981 SHZWHLOGCKKKBQ-GZTJUZNOSA-N 468.296 6.026 50 40 JKGB C/C(=N\NC(=O)CN1C(=O)c2cccc3cccc1c23)c1cccc(NC(=O)c2cccc(Cl)c2)c1 13893901 PBWXGMLLAUGFFR-KBVAKVRCSA-N 496.954 5.246 50 40 JKGB COc1cc([C@H]2[C@@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1ccccc1 13915376 OUUABTOZVPYXLW-SAYMBASOSA-N 492.623 6.140 50 40 JKGB N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 15012401 CHKQLKHVTXWGRL-STZFKDTASA-N 473.359 7.271 50 40 JKGB CC(C)(C)c1ccc(Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2[N+](=O)[O-])cc1 15979724 ZDAXKBGMJHHDAQ-RCCKNPSSSA-N 455.514 5.908 50 40 JKGB Cn1c(SCc2ccc(C(=O)NNC(=O)Nc3cccc(C(F)(F)F)c3)cc2)nc2ccccc21 27516697 MWEMYOANDKZMBO-UHFFFAOYSA-N 499.518 5.351 50 40 JKGB CCCCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4cc3OC)c2C)cc1 33500226 NVLXUVOIWXFHSH-NDZAJKAJSA-N 453.586 6.362 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(OCc5ccccc5C#N)cc4)c3C)[nH]c2c1 33703270 JVRCSSTZKGIYFL-QQXSKIMKSA-N 483.575 6.794 50 40 JKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 59336317 MEPYFPXCHPUXDQ-YVLHZVERSA-N 458.776 6.908 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccccc1Br 71835784 VVVIKEOYNIHTKK-FMIVXFBMSA-N 472.682 5.816 50 40 JKGB FC(F)(F)c1cc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1 95676350 DBWBZKILJZQBJC-UHFFFAOYSA-N 489.399 7.533 50 40 JKGB CCCCCc1ccc(C(=O)[C@H](Br)[C@@H](Br)c2ccc([N+](=O)[O-])cc2)cc1 98043376 WIVLDTPLWCVHAS-RBUKOAKNSA-N 483.200 6.410 50 40 JKGB N#C/C(=C/Nc1ccc(Cl)c(Cl)c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 100480637 FQOUIJKYPDBJPP-XFXZXTDPSA-N 485.308 6.108 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1P(=O)(c1ccccc1)c1ccccc1 101023766 FXCYJNJQLLGGGH-WWPKSBKISA-N 494.511 5.958 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1Cl 105054372 RCZIIXBCBRBNAK-WKULSOCRSA-N 479.363 6.498 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl 408539690 YBBDKKFPCITQFX-LFIBNONCSA-N 451.781 7.152 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1Cl 408541146 YARZFZUEPUMZTF-WKIKZPBSSA-N 461.311 6.735 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)N[C@H]1CCCC[C@@H]1C 408607565 TUTPBTGHVBCZPZ-PAJSBONASA-N 472.589 5.326 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccc(Cl)cc1 408677582 SDTQFFIRQNCCAZ-OGLMXYFKSA-N 463.965 5.292 50 40 JKGB CCOc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc2)cc1 408765675 NCXVIAGVJWCHAD-PTGBLXJZSA-N 491.547 5.802 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1 408789490 JOVPYNURUFOCAA-XDHOZWIPSA-N 463.331 5.588 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 408797151 BKWWMPDGROCZCU-OQKWZONESA-N 482.967 7.017 50 40 JKGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 408803764 ADBVVAKHYJJGFO-LYBHJNIJSA-N 458.517 5.976 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(OCc2ccc(Cl)cc2)c1 408811011 JXIVMJFHMKYDMQ-YBFXNURJSA-N 467.352 6.435 50 40 JKGB Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1 408866979 IQEKRLCWDOJIAY-FYJGNVAPSA-N 479.805 6.856 50 40 JKGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc(C(C)(C)C)c1O 408878552 BVCZCCLRIPXRBT-STBIYBPSSA-N 491.588 6.238 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(OCc2cccc(F)c2)c1 408880744 KQZQDKZCPGQVJL-XDHOZWIPSA-N 450.897 5.921 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccccc1 408897158 WLLUAGSEBNGPMQ-XDHOZWIPSA-N 477.904 5.772 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1O[C@@H](C)CC 409022486 QETHJLAMAFKJNG-QOWQLIIWSA-N 493.785 6.189 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OCC(=O)Nc2cccc(C)c2)c1 409046421 KNELPXZOBKXOTD-HYARGMPZSA-N 469.541 5.184 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1F 409135890 QZPQMYLMQXMBGN-QHCPKHFHSA-N 481.955 5.187 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1OCC 409302553 JFZMIXXVMIYUDG-DICXZTSXSA-N 497.935 5.389 50 40 JKGB COc1ccc([C@H]2CC(=O)NC(SCc3ccc(Br)cc3)=C2C#N)cc1Cl 409332271 KVASAOVWQFCONU-OAHLLOKOSA-N 463.784 5.383 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2n1Cc1ccccc1C#N 1098575 XNPOVVNOEKJLES-PCLIKHOPSA-N 483.575 5.617 50 40 JKGB Brc1ccc(C(c2ccc(Br)cc2)C(Br)Br)cc1 1599303 NRVSDQBCQTVXMU-UHFFFAOYSA-N 497.850 6.459 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1Cl 2377471 OFPNWAGYOLPOBI-HVBJHMBASA-N 473.985 5.713 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@@H](c3ccccc3)Nc3ccc(Cl)cc3[C@H]2[C@H]1Cl 4131507 XZHNHHBEPYCAEN-KAVIJBJXSA-N 471.409 7.287 50 40 JKGB CC(=C/c1ccccc1)/C=N/NC(=O)c1cc(C(=O)N/N=C/C(C)=C/c2ccccc2)c(C)nc1C 9035622 KMKWLTQUAQNINI-DKJUZWFWSA-N 479.584 5.337 50 40 JKGB CCOc1ccccc1N1CSC2=C(C#N)[C@@H](c3c(Cl)cccc3Cl)CC(=O)N2C1 9693595 RJPHDFBWLORISN-AWEZNQCLSA-N 460.386 5.612 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)c2C)cc1C 13068488 GVTKKWOFJGAJGF-XIEYBQDHSA-N 478.600 5.192 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(C)c2)C(=O)N1c1ccccc1 13598979 DNMCTGBRSGKUOP-HEQFHQOESA-N 469.566 5.069 50 40 JKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 13688264 LQYKGCWHLUELAO-DJGFJIGHSA-N 453.567 5.368 50 40 JKGB Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCCC2)ccc1Cl 13779001 BTLMTFWLEYSTLG-NBVRZTHBSA-N 476.964 5.113 50 40 JKGB N#C/C(=C\c1c[nH]nc1-c1cccc([N+](=O)[O-])c1)c1nc(-c2cc3ccccc3oc2=O)cs1 16779058 AQVCGVOLORZTLV-LZYBPNLTSA-N 467.466 5.279 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)c(C)c1 20195316 HCIHJONRCCJUSV-FMFFXOCNSA-N 472.588 6.882 50 40 JKGB Cc1c(Br)cc(/C=N/NC(=O)c2ccccc2Br)cc1Br 20760287 ATSKXXZOMOELIE-UFWORHAWSA-N 474.978 5.046 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccccc3s2)cc(Cl)c1OS(=O)(=O)c1ccccc1 23402588 AIJRACGTFZZTHW-WJDWOHSUSA-N 482.970 5.790 50 40 JKGB Cc1cc(OCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc(C)c1Cl 30937404 VLVYQNDKPJSJBH-BHGWPJFGSA-N 461.743 5.508 50 40 JKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1C 32577812 IQHSAUOWWBZCIY-XYGWBWBKSA-N 469.566 5.503 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(F)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59417174 SECWSNYWWMQFOM-QDTIIGTASA-N 491.397 5.708 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1ccccc1 59536109 ZXTYRCLYVAQWBG-LDADJPATSA-N 451.295 5.713 50 40 JKGB COCc1cc(C)nc2sc(C(=O)N/N=C/c3c(O)ccc4ccccc34)c(-n3cccc3)c12 78546560 WZAONCMWZNSVGW-MZJWZYIUSA-N 470.554 5.165 50 40 JKGB N#C/C(=C/Nc1ccc(Br)cc1F)c1nc(-c2ccc3ccccc3c2)cs1 100932065 AMIXWHOWUOJGEK-ATVHPVEESA-N 450.336 6.841 50 40 JKGB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](Cl)CCl 103527222 JTSUUZHJOZHVIG-REOHCLBHSA-N 466.999 6.207 50 40 JKGB Cc1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 229854089 YQDGDAILSZLFGK-MMXROVNTSA-N 495.988 6.850 50 40 JKGB CC(C)Oc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Cl 408568207 IJBQPRSMFPJKFX-FSJBWODESA-N 451.013 5.135 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1OC 408581479 ILCJEOSUJYGLSW-YBFXNURJSA-N 495.329 6.018 50 40 JKGB C/C(=N\NC(=O)[C@@H](C)Sc1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 408720223 WFJPESZEOZPGJM-AKBIMGJMSA-N 451.979 5.613 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 408781559 BPSBWDHUMYMYNP-JWGURIENSA-N 452.941 6.926 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(Cl)c2)cc1 408787585 CDDWLQUOMJPWAZ-HYARGMPZSA-N 474.944 5.950 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OC 408797626 SSVIPXNRALSNAV-DEDYPNTBSA-N 462.933 5.872 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c1 408800207 NSQZFMGBTXOJCB-XQNSMLJCSA-N 466.968 7.235 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1cccc2ccccc12 408819545 XQIUNLUNQPHYBJ-LFVJCYFKSA-N 496.994 7.325 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1Cc1ccccc1Br 408867485 LCDLIRHGFXMKAO-YBFXNURJSA-N 495.804 6.556 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccccc1 408872962 PYDNBHJBJPLZFW-VCHYOVAHSA-N 486.877 6.492 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 408883872 RPIMAJHRINDJCE-BYNJWEBRSA-N 491.657 5.359 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 408890986 JOONQFAPOOXLBK-OQKWZONESA-N 482.561 5.770 50 40 JKGB CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408896921 UVSZAAAUWVXYEC-VZUCSPMQSA-N 485.121 5.608 50 40 JKGB COc1cc(/C=N/NC(=O)CCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 408956528 QVCKYWXMDLTBBV-JFLMPSFJSA-N 457.357 5.664 50 40 JKGB Cc1c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1ccccc1F 408961169 BBIGQTZLWDFQMT-AMVVHIIESA-N 453.439 5.920 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCc1ccc(Cl)cc1 408972061 RJFDJSCDYNTPJI-RWPZCVJISA-N 478.932 5.836 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 409073958 OKUUPJANUAMTCH-YBFXNURJSA-N 479.286 5.699 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)cc1 409074332 PTYXMOXAOZANGL-NBVRZTHBSA-N 482.945 5.052 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OCC)c1OCc1ccccc1Cl 409076078 XMARKSYKHYTFTP-LFVJCYFKSA-N 486.999 6.900 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)ccc1OCc1cccc(Cl)c1 409118545 RDFRQHXTWIZACA-DVQSINOTSA-N 483.033 6.257 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 409214407 XIPIHNAJDLIFQJ-UVHMKAGCSA-N 451.954 5.725 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(Br)c(Cl)c1 409229316 NBDQPGLDTOITSI-SDLDRHLBSA-N 482.809 6.294 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OC)c1OCc1ccc(C)cc1 409235773 BNGSYZQZOYRUGB-USHMODERSA-N 480.608 5.967 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(Cl)cc3)c2)cc1Cl 409248414 GHGHYOIXSYMWCW-ZMFRSBBQSA-N 456.329 5.083 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1C 409251228 OZQVNUMGPIIINF-UNOMPAQXSA-N 494.378 6.173 50 40 JKGB Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Cl 409251919 AKEBVMOQDYLFMX-WOJGMQOQSA-N 480.351 5.865 50 40 JKGB Cc1ccccc1[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1P(c1ccccc1)c1ccccc1 1857795067 JTIQRCCAEXVYNU-ANHUGMMASA-N 485.633 5.894 50 40 JKGB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(C)cc2)N1 969397 KSWWONMWXYVMDY-AREMUKBSSA-N 483.593 5.847 50 40 JKGB COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1 1817065 ZPRWEQSHPCWBSX-JFLMPSFJSA-N 492.004 5.147 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)CCCOc1ccc(Cl)cc1Cl 1904127 ZMZDUSXTNMOYHN-GZTJUZNOSA-N 491.371 5.198 50 40 JKGB N#CSc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)cc1 2269560 BGICRUFULVJMAF-UHFFFAOYSA-N 467.963 5.401 50 40 JKGB N#C/C(=C/Nc1cccc(Cl)c1Cl)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2281040 UWLSGTYTKJTSOB-XFXZXTDPSA-N 485.308 6.108 50 40 JKGB COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1 2355297 HYVKXMGKIVEUTB-BELFRPKZSA-N 470.645 5.055 50 40 JKGB CCOc1ccc(/C=N/NC(=O)CCCCCNC(=O)c2ccccc2Cl)c2ccccc12 8756629 XGPZBDHVFUKMFC-RDRPBHBLSA-N 465.981 5.332 50 40 JKGB Cc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(Br)c4)CC(=O)N3C2)cc1C 9693426 JXWNXKPZNBDDCA-IBGZPJMESA-N 454.393 5.285 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1Cl 12600460 AQJDOLYQWOQEJZ-LICLKQGHSA-N 498.322 6.035 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 15939006 TYRIYQCLLNOVQQ-MTJSOVHGSA-N 472.342 5.754 50 40 JKGB CCCC/C(C)=N/NC(=O)c1ccc(CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)cc1 19926489 NFJYKECUDNZKRS-BUVRLJJBSA-N 470.422 5.256 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)cc1 20197704 SHGXGOYDWYRUPT-MFKUBSTISA-N 454.368 5.409 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(C#N)cc3)c(OCC)c2)cc1 20764845 COPVOLZQYISXMB-MUFRIFMGSA-N 477.948 5.352 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)c1cccc(C(F)(F)F)c1 33735898 XLTBBVNFIPYQMP-YVLHZVERSA-N 474.841 6.580 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1 59432682 VYVHPQGZSYTLRU-CIAFOILYSA-N 491.385 6.199 50 40 JKGB FC(F)(F)C(F)(F)C(F)(F)C(CCI)(C(F)(F)F)C(F)(F)F 95682134 SHTVHUOLQCOSDS-UHFFFAOYSA-N 473.998 5.755 50 40 JKGB in-vitro Cc1c(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)sc(N)c1C#N 98087087 YHANLUADTRMEEQ-NSKAYECMSA-N 459.358 5.160 50 40 JKGB CCO[Si](CCCCCCCCCC[Si](OCC)(OCC)OCC)(OCC)OCC 196713459 CSSDUQHQHMZSMM-UHFFFAOYSA-N 466.808 6.204 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc2c(c1)OCO2 209665443 NSXGIQSHQYFMKE-VCHYOVAHSA-N 470.554 5.181 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(I)cc3)c2C)c1 408745037 JGHPUTTTYKFDCZ-CPNJWEJPSA-N 481.337 5.553 50 40 JKGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)o2)c1 408757016 VSHRGQMDAJWSLI-ZROIWOOFSA-N 485.721 5.695 50 40 JKGB N#C/C(=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)Nc1ccc(O)cc1 408799776 LASYLWHKTVWFRE-HMMYKYKNSA-N 465.465 5.578 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)cc(C)c1OCc1ccc(Cl)cc1 408844967 JGIPTTBDDNMWTK-KBVAKVRCSA-N 486.015 6.707 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)c(OCc2ccc(Cl)c(Cl)c2)c(C)c1 408846346 JVEPGMCNTDHOHQ-KEBDBYFISA-N 499.825 7.697 50 40 JKGB N#C/C(=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)C(=O)Nc1ccc(F)cc1 408853021 YBNPOTRFCVGTTR-HMMYKYKNSA-N 467.456 6.012 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c(OC)c1 408869497 RVZCQQIHCVFGMC-KEBDBYFISA-N 497.378 5.813 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2F)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1 408885946 BUMSXGLWFRIGJZ-XSFVSMFZSA-N 456.904 6.757 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1cccc(Cl)c1Cl 408888417 ZRQPFSLRFHPOCO-XDJHFCHBSA-N 487.342 6.911 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(OCc2cccc(F)c2)c1 408888974 ADDNBIUEHIPWII-LDADJPATSA-N 481.321 5.721 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 408890293 QYFZYNQUXSDUIE-MHWRWJLKSA-N 492.189 7.425 50 40 JKGB COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(Br)cc1OC(C)C 408904795 OUDDAVIGOALRTM-YVNNLAQVSA-N 499.203 5.471 50 40 JKGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 409162539 WWHHASSAYOBLEH-KVSWJAHQSA-N 480.351 5.418 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1O[C@H](C)CC 409188144 BHSWEMGHYOUUDW-GHONEHJGSA-N 453.764 5.442 50 40 JKGB Cc1ccc(Sc2ccc(/C=N/NC(=O)c3cccc(I)c3)cc2)cc1 409241897 PDYFSTLPTUJJSV-OEAKJJBVSA-N 472.351 5.515 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1OC 409309240 DHVROTQDEVPZMT-YUMHPJSZSA-N 450.922 5.256 50 40 JKGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1 409366576 WLTPQNDZSBCKBH-VYYCAZPPSA-N 471.340 5.036 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(C)c3)C(=O)N2c2ccc(C)cc2)cc1 935037 NQBPTIVULNHHNO-IEQIIXMPSA-N 467.594 5.677 50 40 JKGB COc1cc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)ccc1OCc1ccccc1 987604 IVSQJYJUEWXHNX-HSZRJFAPSA-N 484.943 5.536 50 40 JKGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 1775022 NFMLCKVMIQICJN-JVWAILMASA-N 492.004 5.229 50 40 JKGB CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 1782684 DMJCEOFGYNPKOF-OGLMXYFKSA-N 495.417 5.703 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3Cl)N(c3ccccc3)C2=O)cc1 9272663 GJTZINGSABFQQO-RKZIHRPTSA-N 473.985 5.713 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1OCc1ccccc1Cl 9296210 AIABNVWRJDVDDW-HHHXNRCGSA-N 482.967 6.689 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(I)cc1 10476136 GPBBQORGDWYYGF-LSHDLFTRSA-N 485.108 5.622 50 40 JKGB Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1/C=C(\C#N)c1nnc2n1CCCCC2 16044166 UUPFDEIPNCIMOM-OQLLNIDSSA-N 461.784 5.582 50 40 JKGB N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1 16526317 OBEURNKPJDTTJL-JJIBRWJFSA-N 488.974 7.771 50 40 JKGB COc1ccc(/C=C/c2sc3ccccc3[n+]2CCCCI)cc1OC 16958500 XJWOAGFUUXJCDM-ZRDIBKRKSA-N 480.391 5.592 50 40 JKGB CSc1ccc(/C=C2\CN(C(C)C)CC3=C2OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)cc1 20528793 ZGKQIICFGDVMQM-WUGCZOJMSA-N 475.683 6.000 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C(=O)O)cc1 33766634 VNDPPMYZUPEYBD-YBFXNURJSA-N 496.441 5.537 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccccc1C(F)(F)F 58913276 RBAUEIIDLCPBJQ-IPBVOBEMSA-N 497.304 5.509 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 59297035 FDQWCIIQCRSHEX-WOJGMQOQSA-N 456.851 6.483 50 40 JKGB COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408530588 MHPCTADQKKCCHL-XODNFHPESA-N 472.372 5.452 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccc(Br)cc1 408532113 PPPYPCPCVIYNMZ-UNOMPAQXSA-N 469.176 6.855 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(F)cc1 408547983 BIQSZPTUPFNVPJ-FMCGGJTJSA-N 488.356 7.393 50 40 JKGB CC(C)Oc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Br 408569322 NFDUYHBSADGZHO-FSJBWODESA-N 495.464 5.244 50 40 JKGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)c1 408611996 TUQPZDTWJZIWBU-KKMKTNMSSA-N 490.774 5.623 50 40 JKGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)c1cccc(Cl)c1 408752848 CSHCGJFSDNWKHU-WGOQTCKBSA-N 464.930 5.025 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1C#N 408797887 UGFGZSCRFZHHRN-FYJGNVAPSA-N 457.917 5.735 50 40 JKGB C#CCn1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c2ccccc21 408846262 IZLNOGRLZQCFNZ-GTWSWNCMSA-N 456.549 5.805 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 408853498 UTESRACAGZFJIK-FSGOGVSDSA-N 490.519 6.385 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1F)C(=O)Nc1ccccc1Cl 408871878 YRPRHZCLGPEXHU-LDADJPATSA-N 469.741 6.378 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1Cl 408878253 YXAOSMXNSPQHRY-BHGWPJFGSA-N 465.178 5.927 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 408889683 IYTVHJAWNBTGQY-KGENOOAVSA-N 487.386 7.580 50 40 JKGB COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408958638 ZQTXPWMCGIJIMO-WSXAGQKWSA-N 495.834 6.511 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1Cl 408981654 CFYHZRSACHTZQF-ZDLGFXPLSA-N 494.809 7.504 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1 409009449 ABFFTYLXAQXJLK-LGJNPRDNSA-N 456.329 5.083 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Cl)c1OCc1ccc(Cl)cc1 409050396 VIVIXFRHWBTHCL-KIUFUGSVSA-N 475.416 6.248 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)c1nc2ccccc2[nH]1 409052830 AVUOLRMVVSCDFZ-SFQUDFHCSA-N 473.330 5.407 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1)c1nc2ccccc2o1 409063532 BVUKUYWCSUKXKD-FOWTUZBSSA-N 481.327 5.422 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)cc2c1 409187237 NVEGDCKQBPDGBB-MBTHVWNTSA-N 482.496 5.507 50 40 JKGB COc1cc(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1OC 409228384 YEGWZFHZKWEICV-SDQBBNPISA-N 455.230 5.031 50 40 JKGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C 409230848 GJSAYPVROSIISQ-YVLHZVERSA-N 484.434 5.575 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1OC 409320373 CWWMPENOSLANGQ-NTFVMDSBSA-N 464.949 5.565 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)cc1OCC 409332315 GSPXJYOGPCWMPY-QRQIAZFYSA-N 464.949 5.646 50 40 JKGB O=C(CNC1CCCCC1)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 409385254 IKEDSLAMMSAACV-LGJNPRDNSA-N 478.818 5.054 50 40 JKGB COc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 2234112 YFHHZPACHGNSFO-NNHPPCHPSA-N 483.593 5.377 50 40 JKGB CC1CCN(C(=O)/C(C#N)=C2\SC=C(c3ccc(Br)cc3)N2c2ccccc2)CC1 2356347 CLVQRUHHFGOONK-FLFQWRMESA-N 480.431 5.995 50 40 JKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)c([N+](=O)[O-])c1 2727121 CTUHIMKTALCXNX-UKTHLTGXSA-N 475.810 6.381 50 40 JKGB CC(C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NN(c1ccccc1)c1ccccc1 3142907 KLUDPXNVBUMADW-SANMLTNESA-N 496.567 5.156 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCCOc1ccc([C@@H](C)CC)cc1 4196624 YPDZUXGTNGETKQ-PQBXMXABSA-N 486.568 7.029 50 40 JKGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Br)c1 8722721 VQPNGUTWDSRJRT-FJFJUCHQSA-N 453.380 5.630 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccc(F)cc1 8812434 SIKAUHJKCTYYAC-UVHMKAGCSA-N 489.316 5.469 50 40 JKGB Cc1cccc(CSc2ncc(Cl)c(C(=O)NC3=C(C#N)[C@@H]4CCCC[C@@H]4S3)n2)c1 8917363 PFTRUSFYMKRDOL-YJBOKZPZSA-N 457.024 5.501 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCc3ccccc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC 9113345 CMXIWMFMWJKQRI-XMMPIXPASA-N 460.599 5.702 50 40 JKGB O=C(N/N=C/c1cc(/N=N/c2ccccc2Cl)ccc1O)c1ccccc1Br 10060113 CMBVRPBREPYEHR-BYGYOCHOSA-N 457.715 5.987 50 40 JKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(I)cc2)c1C 10118558 WPIORBUWBMTIHN-WYMPLXKRSA-N 491.760 5.424 50 40 JKGB C/C(=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc2c(c1)OCO2 12652322 AAWSEPARIIOYRR-TWKHWXDSSA-N 464.521 5.815 50 40 JKGB O=[S@@](O)CCCCSSCc1ccccc1CSSCCCC[S@](=O)O 17190070 UALYKJIOBAAHMN-UHFFFAOYSA-N 474.782 5.453 50 40 JKGB C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 19833175 ADZMCMUOQKJCHG-YUMHPJSZSA-N 493.976 5.279 50 40 JKGB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)cc2F)=C(C#N)[C@@H]1c1cccs1 19853469 MOLCQXXDZAWGQX-HXUWFJFHSA-N 491.997 5.172 50 40 JKGB Cc1ccc(OCCOc2ccc(Br)cc2/C=N/NC(=O)NC2CCCCC2)cc1 26608465 HPOOGPHGNXKUSB-PCLIKHOPSA-N 474.399 5.181 50 40 JKGB O=C(N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1cccc(Br)c1 32124555 RDELGRDTILRLPL-MWLSYYOVSA-N 482.381 6.369 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1P(=O)(c1ccccc1)c1ccccc1 100439132 FXCYJNJQLLGGGH-ZIHRJMIFSA-N 494.511 5.958 50 40 JKGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)oc12 208217337 ZUPBJWGOMBPOBV-OWAQKBPCSA-N 498.421 5.998 50 40 JKGB CCN1c2ccc(/C=N/NC(=O)c3cc4cc(Br)cc(OC)c4o3)cc2[C@H](C)CC1(C)C 208313135 KIEYLIFTBMZBDX-PJAVDKHJSA-N 498.421 6.080 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Br)cc1 408582694 PBCJXSASWODOET-UDWIEESQSA-N 498.804 7.153 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)ccc1OCc1ccc(Cl)cc1 408720091 RWGZNFSBIIBDBX-RLWVUDJFSA-N 452.938 5.156 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)c3ccc(Cl)cc3Cl)c2C)sc2c1CCCC2 408744502 YFZHRCNKDNGMFZ-LDADJPATSA-N 499.463 7.582 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccccc1C#N 408745180 PXJMMELGTIZBAQ-NDENLUEZSA-N 488.341 5.454 50 40 JKGB N#C/C(=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Br)c1 408751679 BMXYQDOXLRXRQJ-PDGQHHTCSA-N 478.302 5.482 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(OCc2c(C)ccc3ccccc23)c1 408801471 AWOGKTBYFPWKHW-LFVJCYFKSA-N 462.549 6.590 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)cc1 408818110 ZIPZSYVKAUUWSI-BRJLIKDPSA-N 474.300 5.253 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Br)c1 408887712 SPVJEUPFSZGMGY-UDWIEESQSA-N 495.804 6.844 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(Cl)c(Cl)c1 408904825 PDXIFUFIKNUVGS-OPEKNORGSA-N 471.300 5.819 50 40 JKGB COc1cccc(/C=N/NC(=O)COc2ccccc2Cl)c1OCc1ccc(Cl)c(Cl)c1 408914340 UOKHQOSSNOFJJZ-KKMKTNMSSA-N 493.774 5.764 50 40 JKGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)NCCc1c[nH]c2ccccc12 408948448 GGRRXOWNSHPENO-WJDWOHSUSA-N 460.877 5.255 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1 409031065 GGDQYUKSTGIYKE-WPWMEQJKSA-N 456.571 6.106 50 40 JKGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)cc1 409042612 YRNIPEFUXRBPDV-UXHLAJHPSA-N 475.504 5.712 50 40 JKGB Cc1cc(C)cc(-n2c(C)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C)c1 409045309 PHCLDZLXWXZQQL-MZFJOGFUSA-N 472.592 6.690 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2o1 409082869 TYJJEBVNSAFLIW-NTEUORMPSA-N 462.805 6.154 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 409100384 UXBQLFTZUHPRSE-OGLMXYFKSA-N 460.002 6.663 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc(Br)c1O 409130004 VRTVRZFBVSEHPH-GZIVZEMBSA-N 492.222 5.244 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(N(CC)CC)c(Br)c3)cc2c1 409185374 YAPHLPSHWSSOQB-OYKKKHCWSA-N 458.356 5.204 50 40 JKGB Cc1c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 409208900 DBYIQHWGFXTTQT-UNOMPAQXSA-N 462.336 7.277 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1ccccc1 409226356 NCUXNIZOAGWDFZ-VBNMEBLOSA-N 469.343 6.496 50 40 JKGB Cc1ccc(-c2ccc(/C=N\NC(=O)CSc3nc4ccccc4s3)o2)c(Br)c1 409242551 OMSSPBDIMLUBJA-KSEXSDGBSA-N 486.416 5.870 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 409243142 YZXXEKZWKZTRNO-LJUMEUDFSA-N 489.978 6.158 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)cc1OC 409327003 PVLYNZYZIACSRP-MIXAMLLLSA-N 454.526 5.590 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CC(C)(C)C3)ccc1O 714572 BUQFFPOMYFHFAO-QFIPXVFZSA-N 483.490 5.360 50 40 JKGB COc1ccc([C@@H](CCN(Cc2ccc(OC)c(OC)c2)C(=O)CCl)c2ccccc2)cc1 1296626 ATTHFEKWVPZFSA-DEOSSOPVSA-N 467.993 5.502 50 40 JKGB COc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3)nnc2-c2ccc(C)cc2)cc1 1799920 FXKHCXQGHRYROC-RKUQBJHPSA-N 483.597 5.159 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc(C)nc3ccccc23)ccc1OCc1ccc(Cl)c(Cl)c1 1824262 RZPRSOIMPCJXQD-IPPBACCNSA-N 494.378 6.202 50 40 JKGB Cc1ccc(OCC(=O)N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C(C)C)c1 3276138 DJJZYLYZMDBMPS-RUMWWMSVSA-N 477.608 7.117 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1OCC(=O)Nc1ccccc1 8951661 QAFWTVHCBCTBIG-KGENOOAVSA-N 467.550 5.900 50 40 JKGB O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccc([N+](=O)[O-])cc1 9057360 WCZGZSJYMPZFBB-IGCPIRJNSA-N 487.579 6.104 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 9204124 MXFHCAFGENEREW-LGJNPRDNSA-N 492.200 6.028 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1cccc(Cl)c1Cl 9308840 NOSSFNQEAUHHIB-NRFANRHFSA-N 489.362 6.181 50 40 JKGB CCCCc1ccc(N2CSC3=C(C#N)[C@@H](c4c(OC)ccc5ccccc45)CC(=O)N3C2)cc1 12251000 XZBJTHGNRYZPCW-DEOSSOPVSA-N 483.637 6.410 50 40 JKGB CCOP(=O)(OCC)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 15081958 OVVAIXOIAXMJOK-LJQANCHMSA-N 455.407 5.037 50 40 JKGB C/C(=N/NC(=O)c1ccncc1)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C 17215986 WYQIIKFMEBSUDD-FSGOGVSDSA-N 478.581 5.520 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 20197706 DAGVTIRZGYHOBG-MFKUBSTISA-N 454.368 5.409 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 20247313 PSOAZBRPIIXBSN-XFAVVLCKSA-N 486.641 5.071 50 40 JKGB COc1ccc(/C=N/N(C(=O)c2ccc(C)cc2)c2oc(-c3ccc(C)cc3)nc2C#N)cc1 27026975 NQIXMROSZSCJPO-STBIYBPSSA-N 450.498 5.520 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1ccc(C)cc1 59418947 MRMUMYBNZMVTGB-YSMPRRRNSA-N 481.346 5.139 50 40 JKGB CC(C)COC(=O)c1cc(-c2ccc(/C=C(/C#N)c3nc4ccccc4s3)o2)ccc1Cl 96193233 GMQSAGOYYNYMPX-BOPFTXTBSA-N 462.958 7.087 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1O[C@H](C)CC 96540771 XFJQSGPERKBQBV-SYERDGIWSA-N 465.981 5.663 50 40 JKGB CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 107649707 PFFIITRFZGGOAR-OBTCNRAFSA-N 453.753 6.378 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 209280417 JILSPDNELXFCQZ-WQRHYEAKSA-N 453.325 6.127 50 40 JKGB CCCCCCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1 408537209 CXQOXNGZJYBMRN-CAPFRKAQSA-N 455.396 6.734 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc(C)cc1 408544197 TVJGLYVYVDOLHG-HMAPJEAMSA-N 480.568 5.969 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCc1ccccc1 408585476 FMYIVBROOTXSNV-NVMNQCDNSA-N 489.196 7.408 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 408745616 UHOULYBYOBJGFZ-NVMNQCDNSA-N 455.316 6.566 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1cccc(Br)c1 408761141 CFAGIKBGVJQZPO-JCMHNJIXSA-N 483.365 6.727 50 40 JKGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC 408790130 NXILLHNSKNKWJN-PXLXIMEGSA-N 488.971 6.428 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)c(C)c1 408793136 DEODGJHZTMBBSI-UDWIEESQSA-N 495.804 6.844 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408794918 JQBXSHJQJCJPGQ-FYJGNVAPSA-N 483.911 6.526 50 40 JKGB O=C(N/N=C/c1ccc(F)cc1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 408838708 HKLJKBDPGGMJBK-LGJNPRDNSA-N 450.926 6.110 50 40 JKGB CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Cl)c1OC 408887637 QAQIZFDRSHRJMO-MUFRIFMGSA-N 489.056 6.131 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1OCc1cccc(Cl)c1 408897361 RSBKOMJHTCIJBD-GZTJUZNOSA-N 487.770 6.780 50 40 JKGB N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 408921466 AXPRPXCEMPEJOV-XIEYBQDHSA-N 498.538 6.816 50 40 JKGB C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 409033915 MIELRUXMBKCGTR-AJBULDERSA-N 455.517 5.831 50 40 JKGB CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC 409037071 MWJRYOXSGMXOPV-JVWAILMASA-N 472.570 5.725 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1 409053519 ZCOANRQJQJSZNY-KKMKTNMSSA-N 477.775 6.307 50 40 JKGB Cc1ccc(NCC(=O)N/N=C\c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)cc1C 409062867 CCTBVJAILAPZEC-FTCYSYDXSA-N 477.927 5.394 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc(F)cc1 409212833 QYAYQSFHXONRPN-ZDLGFXPLSA-N 483.293 6.148 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1Cl 409220221 ZOIDHRAWKFEXCY-GHRIWEEISA-N 466.324 5.557 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 409223111 GLVZTRVQSLCOGC-UNOMPAQXSA-N 479.458 5.577 50 40 JKGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccco1)c1ccc(NC(=O)c2ccccc2)cc1 409223231 GDPWWNLTZNHZGN-NTFVMDSBSA-N 487.899 5.168 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccc(C)cc1C 409252564 CITQPIDCITWBFK-HAHDFKILSA-N 483.568 5.574 50 40 JKGB CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)CC(=O)N1 409310793 WMWAJCLZLUDYGX-GOSISDBHSA-N 484.419 5.031 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccc(C(=O)O)cc1 409391891 KEQDQMARVOQISI-JMIUGGIZSA-N 496.332 6.328 50 40 JKGB Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)c1 409398729 VLTQQJNLAGLIOE-UHFFFAOYSA-N 491.522 6.266 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2C)c1 2264807 SYNUGUMXLWAXII-HEQFHQOESA-N 488.012 6.022 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc2n1Cc1ccccc1Cl 2726998 PETFVDKXHHGXNE-CPNJWEJPSA-N 460.364 6.851 50 40 JKGB CCOc1ccc(C[C@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)CCl)cc1OCC 3277956 DMIXIQXPSOLPHG-NRFANRHFSA-N 476.013 5.189 50 40 JKGB CCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2cccc(Br)c2)cs1 9075432 BUDNWJQBSSBOJF-NTCAYCPXSA-N 454.349 5.726 50 40 JKGB CC(/C=C/c1ccccc1)=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 9086484 GEKUNSPYFFOCRA-RSXYPYOYSA-N 453.571 5.232 50 40 JKGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)o3)nnc2-c2ccc(Cl)cc2)cc1 9186583 NYPSIXCTRBVSSC-VULFUBBASA-N 495.992 5.130 50 40 JKGB Cc1ccccc1C(=O)N/N=C/c1c(C)n(Cc2ccc(Br)cc2)c2ccccc12 9202555 AOSCVIXZIZMRLI-JFLMPSFJSA-N 460.375 5.833 50 40 JKGB O=C(N/N=C\c1cc(Br)ccc1OC(=O)c1ccccc1Cl)c1ccc(F)cc1 10059592 NZNHPVQBSUBLSP-ROTLSHHCSA-N 475.701 5.225 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(SC(F)F)cc2)s1)C(=O)Nc1cccc(C(F)(F)F)c1 12492570 NMFIQGLFZVQGTG-GXDHUFHOSA-N 480.483 7.294 50 40 JKGB O=C(NN=C1CCC(c2ccccc2)CC1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 12586956 QGCHFQYAOTYPNU-UHFFFAOYSA-N 482.005 5.584 50 40 JKGB COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)c1cc(Cl)ccc1O)oc1ccccc12 12628908 BKYPPRIPFNFNHG-UVHMKAGCSA-N 465.893 5.088 50 40 JKGB Cc1ccccc1CSCC(=O)N/N=C/c1cc(C)n(-c2ccccc2Br)c1C 20240755 DCTXLOLTXPWIOR-DHRITJCHSA-N 470.436 5.549 50 40 JKGB N#C/C(=C\c1cc(Br)c(O)c(Br)c1)Sc1nc2ccccc2s1 33635100 HRXFVAHVAMQVNF-BJMVGYQFSA-N 468.195 6.184 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C 33778813 CXKXIHKGGVWBFC-JFLMPSFJSA-N 476.374 5.782 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCc1c(Cl)cccc1Cl 59117658 DWJDTMRSOUWBED-LDADJPATSA-N 467.352 6.435 50 40 JKGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c1 59336082 XEAIMJUGVKQRPM-WQRHYEAKSA-N 468.340 5.733 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cccc(F)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59417173 BSPGMHHLTINFLB-QDTIIGTASA-N 491.397 5.708 50 40 JKGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 59473019 BYYPURLXRBANSS-FRQJIFLKSA-N 469.950 5.458 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 59484007 HOQKBSCWOBYVKN-WQRHYEAKSA-N 497.776 6.236 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 59920897 CGOFVNSSDOUVOG-MZJWZYIUSA-N 489.424 6.214 50 40 JKGB CCc1c/c(=N\NC(=O)NCCc2ccc(OC)cc2)oc2cc3c(cc12)CCC1(CCCCC1)O3 70655964 VYQNYGZHHQKRFC-TVKQRKNISA-N 489.616 5.389 50 40 JKGB N#CC1=C(SCC(=O)N(c2ccccc2)c2ccccc2)NC2=C(C(=O)CCC2)[C@H]1c1ccco1 97951968 VHJJBFOGVHXPHV-AREMUKBSSA-N 481.577 5.807 50 40 JKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(I)o2)cc1 100030688 LJEDZSMYNWLHNC-JJIBRWJFSA-N 496.389 6.168 50 40 JKGB CCC[C@@H]1Nc2c(C(=O)O)ccc([N+](=O)[O-])c2[C@@H]2[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]12 245231445 COGRKLXBUHSTNJ-RDCBPCMLSA-N 491.953 5.667 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc(Br)c1OC 408740714 LVNXVTCGGPMRIN-BRJLIKDPSA-N 490.785 5.291 50 40 JKGB COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)cc1 408752825 COQJCADWXSLMOM-PDGQHHTCSA-N 450.336 5.411 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1 408787878 HFNDHUCLYHSTQC-XSFVSMFZSA-N 470.370 6.306 50 40 JKGB N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccccc1 408804713 GVVHPXADUTXJSK-NCELDCMTSA-N 454.529 7.118 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)cc1 408813105 FEPDFJOPUXPCNP-JJFYIABZSA-N 487.943 5.031 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 408815594 IDMYLEOZOUOXIR-XKZIYDEJSA-N 491.385 5.569 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1ccc(Cl)c(Cl)c1 408878957 DJIPUZYVQMXSLP-WKULSOCRSA-N 479.363 6.498 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408889464 HFMGPWVVQBRODV-LICLKQGHSA-N 451.841 5.512 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccccc1C(=O)O 408895563 LFHRPJWBQYZASI-LFIBNONCSA-N 481.291 5.456 50 40 JKGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 408905466 AMOBKQLPZAKONZ-RAQUAXEKSA-N 474.344 5.061 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OCc1ccccc1C#N 408987528 FOYRZSPOWIXTJJ-ZVHZXABRSA-N 497.982 6.382 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCC(=O)Nc1ccccc1C 409012646 KXKBWFBDFUADCX-UXHLAJHPSA-N 481.552 5.328 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1OC 409041596 WIWSORMVOIDRCA-MZJWZYIUSA-N 492.988 5.988 50 40 JKGB CCCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1 409041766 VOPFQWGUUQQNHY-LQKURTRISA-N 491.016 6.760 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)c(C)c1 409271332 UXMHYXIWZNUPBP-FYJGNVAPSA-N 473.960 5.828 50 40 JKGB c1ccc([C@H]2N=C(c3ccccc3P(c3ccccc3)c3ccccc3)O[C@@H]2c2ccccc2)cc1 1988182098 CWMZMWXTKNWZSZ-ROJLCIKYSA-N 483.551 6.704 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccc(Cl)cc1 2162504 MGDGEZSHVSWTCI-OKCVXOCRSA-N 484.939 6.591 50 40 JKGB CCCc1ccc(OCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)cc1 3167019 IYTGULUDLIKCBM-JVWAILMASA-N 481.390 5.510 50 40 JKGB Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c1C 3644075 BVXQEEBQTUFLOG-ZHZULCJRSA-N 491.956 5.095 50 40 JKGB CCOc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCCOc1ccc([C@H](C)CC)cc1 4196621 ZIVUPNJAOQIVSQ-ZLGPJQJGSA-N 475.589 6.212 50 40 JKGB N#C/C(C(=O)Nc1ccccc1F)=C1/SC=C(c2ccc(Br)cc2)N1c1ccccc1 6148130 ITHFWTRDRASWKM-CLCOLTQESA-N 492.373 6.514 50 40 JKGB C/C(=N\NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)c1ccc(-c2ccccc2)cc1 8935033 GBFVQWBXRYJELZ-DFKUXCBWSA-N 456.630 6.987 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)ccc1OC(C)=O 9075284 WJTCSUGQQWCPBV-PXNMLYILSA-N 455.333 5.571 50 40 JKGB CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccs3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2 9460870 PYTWTARSTCUOFC-QJPKHSJYSA-N 497.711 7.237 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1 9909701 GCXWWZRGPACXAR-OVCLIPMQSA-N 477.895 5.960 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)cc1C 58913472 JXGXLJNYCLFQMC-UXHLAJHPSA-N 480.568 5.592 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117468 NTEHFHTZXFZOAR-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB O=C(OC(=O)C12C[C@H]3CC(C[C@@H](C3)C1)C2(Cl)Cl)C12C[C@@H]3CC(C[C@H](C3)C1)C2(Cl)Cl 100744159 DEZAZONUZUZECG-KLQSJNFGSA-N 480.259 6.057 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCC(=O)NCc3ccccc3)N=C3CC(C)(C)CC(O)=C32)cc1 102535464 ZVZBRWQGZIOVKI-RUZDIDTESA-N 487.625 5.650 50 40 JKGB CC(=O)Nc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(O)CCCC3=N2)cc1 104150614 OLPHIMOARZHRBH-QFIPXVFZSA-N 478.599 5.348 50 40 JKGB C/C(NNC(=O)C(c1ccccc1)c1ccccc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 113467241 JQRFVZZJQPWTQP-QYQHSDTDSA-N 486.575 5.164 50 40 JKGB COc1cc([C@@H]2[C@@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1ccccc1 229880957 OUUABTOZVPYXLW-MBEZDYHHSA-N 492.623 6.140 50 40 JKGB CCCCCCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccc(C(=O)OC)cc1 408538739 QAFKIBUQAMVMCO-PGMHBOJBSA-N 468.981 6.412 50 40 JKGB Cc1cc2nc(/C(C#N)=C\c3cc(Br)ccc3OCc3ccccc3)[nH]c2cc1C 408542634 KDARMPMFOLLKSR-NDENLUEZSA-N 458.359 6.585 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1 408569465 NYINEQHYAXUKCR-ROTLSHHCSA-N 493.437 6.261 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(Br)cc1 408748056 XTDPFDNORKYVPC-BKUYFWCQSA-N 477.358 5.260 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2c(OCc3ccccc3Cl)ccc3ccccc23)c1 408789865 OBPCRBAQEHFVBM-JWGURIENSA-N 452.941 6.926 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408798554 VRVARMUFVMLMMQ-CIAFOILYSA-N 490.943 5.870 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2c(C)ccc3ccccc23)c1C 408799687 HMFHYLPAQNPHGI-BUVRLJJBSA-N 480.995 7.543 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OC(C)C 408801026 RGKQHVGEVLPYEG-VIZOYTHASA-N 463.759 5.752 50 40 JKGB CC(C)(C)C1CCC(=NNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)CC1 408863952 RUVKVRDOAIJIPL-UHFFFAOYSA-N 476.042 5.244 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1cccc(F)c1 408883795 UYWWWCBICOOZKF-VCHYOVAHSA-N 468.887 6.142 50 40 JKGB CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl 408899161 NRVUMDPWEYUZED-ODCIPOBUSA-N 494.998 5.681 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OCC(C)C 408972747 WGOAMGOWIPTXBC-BRJLIKDPSA-N 489.366 5.401 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(I)c1OC 408981508 BLGITRCNMAZXIO-AUWJEWJLSA-N 496.732 5.206 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCC(=O)Nc1cccc(C)c1 409007362 OCBCXTYCDHEETD-HYARGMPZSA-N 469.541 5.184 50 40 JKGB COc1cc(/C=N/NC(=O)CCSc2ccc(C)cc2)ccc1OCc1ccccc1Cl 409121467 XDCHFMIQKPLNCC-JVWAILMASA-N 469.006 5.869 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccccc1C(=O)O 409209569 GNPGVWDMTDJFHA-YBEGLDIGSA-N 454.313 5.645 50 40 JKGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 409220183 VIQHRSMQFQDOTM-UHFFFAOYSA-N 497.165 5.627 50 40 JKGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 409224018 IHIRKQXLBWGOLC-ROTLSHHCSA-N 492.156 5.739 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409229943 AFRVQYHHOATRAZ-BYINCCNUSA-N 491.931 5.620 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 409232649 AWRUEJIDNCYZSA-QDTIIGTASA-N 454.332 5.828 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)c(C)c1 409263103 GYKULQJXEBUNHT-FYJGNVAPSA-N 473.960 5.828 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3F)c2)cc1OCC 409316149 XUQXXQZFVLAZJR-QRQIAZFYSA-N 450.510 5.356 50 40 JKGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 1770499 JLFBAHURWBOQPQ-JVWAILMASA-N 492.004 5.229 50 40 JKGB COc1ccc(/C=N/NC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)cc1O 1808780 NZILOJHOXKQUAC-RUMWWMSVSA-N 489.575 6.230 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)sc2c1CCCC2 2199650 WXTPAUUPCVKCEB-QINSGFPZSA-N 453.564 6.043 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1 3253346 GKUMYRXVNIGYKL-OVVQPSECSA-N 474.560 6.699 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C(F)(F)F)nn3-c2ccccc2)ccc1OC(C)C 8721093 FORJHPHYIBQKHE-HXUWFJFHSA-N 484.478 5.295 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)Nc1cccc(Br)c1 8860929 SAJOPDHUWHBXJQ-MDWZMJQESA-N 471.694 5.606 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)cc1 9261716 RLADPOFLKPVOCX-KOEQRZSOSA-N 479.555 6.666 50 40 JKGB N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 12578315 NAUHCQBMILOAHE-VCHYOVAHSA-N 464.377 6.740 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 20197564 YOOBEMVEQTUHCH-WKULSOCRSA-N 480.395 6.549 50 40 JKGB O=C(N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1cc2c(ccc3ccccc32)o1 35395056 RDTFHCIKMVHHGY-FZKWRIDDSA-N 493.566 7.506 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1Cl 408581697 YXTCKYWKNHGHSF-RVDMUPIBSA-N 464.757 6.479 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c(C)n1-c1ccc(I)cc1 408591921 WLIGWVCBHJBELK-ZMOGYAJESA-N 491.760 5.045 50 40 JKGB N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccc(Br)cc1 408742709 BTZHWFRAQUQQDP-XFXZXTDPSA-N 462.130 6.562 50 40 JKGB CC1=CC(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1 408745358 MERDQGLVHUEUCZ-MKOZVTOYSA-N 480.995 7.368 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408799217 YKLIBHAQFHKVBL-KPKJPENVSA-N 461.688 6.151 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@H]3C)c2C)sc2c1CCCC2 408805562 GQYCTHFQQCZEOU-ZZNLYITHSA-N 493.673 5.813 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 408819921 ZFWVQUTXGLSHPZ-KGENOOAVSA-N 487.386 7.580 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(Br)c2)c(OC)cc1Cl 408823781 GHWDAEUQWBVOOP-VGOFMYFVSA-N 479.758 5.453 50 40 JKGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC 408833070 STMQLQCYVMCLMV-RCCKNPSSSA-N 472.928 5.485 50 40 JKGB COc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1 408849398 YGAOOQKDNZSNRS-MZJWZYIUSA-N 476.989 6.288 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OCc1ccccc1C 408922057 CYHCVIDMDVBREE-CIAFOILYSA-N 495.406 7.134 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1C(=O)O 408925171 QHWMDLQVRKGXPH-QGOAFFKASA-N 477.314 5.272 50 40 JKGB CCc1ccc(N(CC(=O)N/N=C(\C)CC(C)(C)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 409027539 FLFBWQBSKFCCDE-QUPMIFSKSA-N 491.657 5.304 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)cc1[N+](=O)[O-] 409030045 BXBPPCKZEJFGFT-STBIYBPSSA-N 476.492 6.142 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)c1C 409045524 YXWUKUNDNUQYCX-VXLYETTFSA-N 485.798 7.388 50 40 JKGB CC(C)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Br 409048720 UXLSRHXGKMASMI-VGOFMYFVSA-N 496.174 5.931 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)cc1 409049031 VPOFXFZMTWCGKI-VCHYOVAHSA-N 455.316 6.566 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCC(=O)Nc1ccccc1 409060202 YHZYWKVXSWVADN-LDADJPATSA-N 495.457 5.277 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1ccc(Cl)c(Cl)c1 409207521 VVTPDVSJJGWBMS-GIJQJNRQSA-N 468.340 5.353 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)c1ccccc1 409231538 JRGUYXYASROXDH-IZQLPPHKSA-N 477.923 5.281 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)cc2Cl)cc1 409231679 FJMOXEGKJILJLI-HBEGMLAUSA-N 473.960 5.450 50 40 JKGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 409247515 DBKAGDCPVDDDCM-QPEQYQDCSA-N 469.257 5.421 50 40 JKGB O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Cl)Nc1ccccc1Cl 409268128 QDDKLVXONQKGBC-ZRGSRPPYSA-N 476.747 5.428 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c(C)n1-c1ccccc1Br 409390579 FLCFPWVMSGBWGO-RWPZCVJISA-N 475.390 5.572 50 40 JKGB N#C/C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)NCc1ccc(Cl)cc1 3244015 LKEJONOCTRNJRN-LYBHJNIJSA-N 463.968 7.033 50 40 JKGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)C(=O)Nc1ccccc1 3324138 OXTVTWZXAYLXAA-HMMYKYKNSA-N 458.477 5.191 50 40 JKGB C/C(=N\NC(=O)CCCCC(=O)N/N=C(\C)c1cccc2ccccc12)c1cccc2ccccc12 8398460 VNVHROSSBQGWAR-RWRHWQIFSA-N 478.596 5.934 50 40 JKGB CC(C)(C)c1ccc(C(=O)N/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 8781422 IDHKSBHGXLTJSL-QVTSOHHYSA-N 461.565 5.818 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccc(F)cc1 8812070 OHRUZHGENLZIDR-BRJLIKDPSA-N 461.718 5.585 50 40 JKGB COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 8817705 LXVFELOYHOSXKJ-WPWMEQJKSA-N 492.004 5.229 50 40 JKGB C[C@@H](Nc1cccc(Cl)c1)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1 12364817 VYSDQCVIHRAADD-JOBSNELWSA-N 486.797 5.632 50 40 JKGB COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OC(=O)COc1ccc2ccccc2c1 12492842 OKPDZXZITGQCJK-HZHRSRAPSA-N 494.551 5.215 50 40 JKGB CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C1=O 16741528 SLIAWYMCOWHQOC-XYGWBWBKSA-N 480.568 5.249 50 40 JKGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 18039876 QKQBLVBNYJFRBT-VPUKRXIYSA-N 495.366 5.287 50 40 JKGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccccc1 20244098 RLRWOEQNUFOBJU-CJHIPLPSSA-N 457.574 5.004 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2)sc2c1CCN(Cc1ccccc1)C2 25140368 UPLOUFRFWYESQP-RCCKNPSSSA-N 471.582 5.029 50 40 JKGB N#C/C(=C/c1ccc(O)c(Br)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 44827388 MLYWACWTQUFCGJ-WZUFQYTHSA-N 452.160 6.649 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 59291876 KBMPAHIVVYIRMV-XQNSMLJCSA-N 482.967 7.017 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSCc2ccc(OC)cc2)ccc1OCc1cccc(Cl)c1 59473779 VGGJXQABWPQRIZ-RWPZCVJISA-N 499.032 5.710 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)N=C3CC(C)(C)CC(O)=C32)cc1 102531712 BSSJSJOISFEAOE-XMMPIXPASA-N 491.588 6.112 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1ccccc1C#N 107592389 CIVXQALVNZXAPU-GRSHGNNSSA-N 463.306 6.112 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(Br)c2)ccc1OCc1ccc(C(=O)O)o1 108160948 IPRXMYGCMMFQPG-SXGWCWSVSA-N 454.276 5.392 50 40 JKGB Cc1ccc(NCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 408532315 QGEOFHSEBOFHIS-UVHMKAGCSA-N 486.797 5.552 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1OC 408583906 YOUPDIVUVHJKNQ-VXLYETTFSA-N 498.348 6.257 50 40 JKGB O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)c2ccccc2C1=O 408641524 COFNZPWSSZGXIL-NRFANRHFSA-N 499.325 5.013 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc(OC)c1OC 408720056 WPTSICGCICUUTM-VCHYOVAHSA-N 494.378 6.481 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])cc2-c2ccc3ccccc3c2)cc1 408723950 AYVMASXCKHDGOP-RDRPBHBLSA-N 475.508 5.673 50 40 JKGB COc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1Br 408760941 BGCIOCIQPLZWEN-JFLMPSFJSA-N 489.454 5.841 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)Nc1cccc(Br)c1 408775528 HYRIBGPJNHQWIA-GDNBJRDFSA-N 465.263 5.090 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408776596 WRGCXXAJFRCDFW-BKUYFWCQSA-N 487.512 5.515 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Br 408789581 KGZLXXLNZYGSRY-CXUHLZMHSA-N 490.195 5.939 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)c1 408791120 UJXUWXVQHUYQJC-GIJQJNRQSA-N 471.771 7.080 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1c(Cl)cccc1Cl 408885550 BTVZDMUZYCAPJQ-OKCVXOCRSA-N 493.390 6.888 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2F)ccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 408888368 UVJMGDJVOUYUHE-XSFVSMFZSA-N 467.456 6.012 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)cc1 408895548 LCMQGDPSXKPTPB-HZHRSRAPSA-N 463.493 6.181 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccccc1Br 408899884 RLMGOGICSWGBOQ-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccc(Br)cc2)c1 408921719 BLPHGBMYTKCZGZ-YBFXNURJSA-N 492.329 5.790 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 408937467 GPKANNJDQIBBMV-MUXKCCDJSA-N 491.931 5.185 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc2ccccc2c1 408981650 CEJCQWQQZIAUAM-PKAZHMFMSA-N 493.006 7.655 50 40 JKGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1 409031503 AUUYQQWKYZXVNM-JFLMPSFJSA-N 476.989 6.370 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)c1nc2ccccc2[nH]1 409071185 INIBGJLPHOLZFM-WOJGMQOQSA-N 474.314 5.667 50 40 JKGB N#C/C(=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 409086244 UWIUPIRCMIHHDS-YBEGLDIGSA-N 455.348 6.378 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3c(C)n(Cc4ccccc4C#N)c4ccccc34)cc2c1 409187540 RRGBQESUUSBADM-LJUMEUDFSA-N 476.536 5.779 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c([N+](=O)[O-])cc1OCc1ccccc1 409201608 MYQMZWCTVWRDCT-CIAFOILYSA-N 457.486 5.345 50 40 JKGB CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 409242671 XOFRHHATGWFIPV-ATDKOCKZSA-N 452.860 6.090 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2)c1 409262927 KRTNOWKGBQCGSP-XSFVSMFZSA-N 459.933 5.520 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)cc2)cc1OC 409331089 CMGNKQOXPVYAHK-YUMHPJSZSA-N 495.373 5.365 50 40 JKGB O=C(N=C(C(Cl)Cl)N1CCOCC1)Nc1ccccc1Oc1ccc(Cl)cc1Cl 575318918 HDXAEXPHEPAIDH-UHFFFAOYSA-N 477.175 5.852 50 40 JKGB N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@H]1c1c[nH]nc1-c1ccccc1 647876 XIQYCCDFOOEIPG-JOCHJYFZSA-N 475.474 5.400 50 40 JKGB O=C(Oc1ccccc1CP(=O)(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1 2209269 WFLNKFQDRVNDIU-UHFFFAOYSA-N 457.422 5.328 50 40 JKGB biogenic COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 2797354 QKCWLCRMEGTZOU-SFQUDFHCSA-N 477.860 5.022 50 40 JKGB C=CCN1C(=O)C(C#N)=C(C)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)OCC(C)C)c3)o2)C1=O 3667924 ZQPMRTULVCVUEM-XDHOZWIPSA-N 478.932 5.191 50 40 JKGB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4C[C@H](Br)[C@H](Br)C[C@@H]4C3=O)cc2)c1 8449784 OYPVHBMYKLKSNL-CADBVGFASA-N 493.195 5.214 50 40 JKGB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2Cl)C(C#N)=C(SCc2ccccc2)N1 8934502 BCBCAMKTDXQCDA-SANMLTNESA-N 486.040 6.917 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C/c1cccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c1)c1ccccc1 9439947 DDYBXSYIBASVAM-DXWBQHEBSA-N 474.564 5.255 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)c([N+](=O)[O-])c1 9679079 MYNDOVOCPWBCBK-GZTJUZNOSA-N 477.860 5.022 50 40 JKGB C[C@@H]1CCc2[nH]c3ccc(C(=O)NNC(=O)c4ccc(COc5ccc(Cl)cc5)cc4)cc3c2C1 13118115 BEBBQXLFWCVGBC-QGZVFWFLSA-N 487.987 5.600 50 40 JKGB CC/C(=N\NC(=O)c1cc(-c2ccccc2OC(C)C)nc2ccccc12)c1cc(O)ccc1O 13321431 MUJXMFGFBDDMEW-JJKYIXSRSA-N 469.541 5.644 50 40 JKGB COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 13896261 MHQPPEVRHUBMGN-RRAHZORUSA-N 485.613 5.192 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)cc1 15230945 IYIPDEPWLASLTM-PYCFMQQDSA-N 457.537 6.055 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2Br)c1C 20760514 XDZDNQRNOOXTBF-WYMPLXKRSA-N 460.759 5.283 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc(Br)c1O 28217870 ZRJNAMMSMUAKKZ-DHRITJCHSA-N 485.403 5.361 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(OCC)c1OCc1ccc(Cl)cc1 33693196 JUQCJOUQNBKLGY-QRQIAZFYSA-N 480.007 8.264 50 40 JKGB CCCCCCOc1ccc(Br)cc1/C=N\NC(=O)Cc1cccc2ccccc12 33705310 GADQXKRQIWBVRS-IMRQLAEWSA-N 467.407 6.254 50 40 JKGB COc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 58916795 RNHRMDHMIRLJLR-DHRITJCHSA-N 486.435 5.249 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCc3ccccc3Cl)NC3=C2C(=O)CC(C)(C)C3)cc1 96129994 GMWDGQSGNNAZHN-HSZRJFAPSA-N 465.018 6.347 50 40 JKGB CCCCP(=O)(CCCC)Oc1cccc(P(=O)(c2ccccc2)c2ccccc2)c1 97951155 WHAVVSQKUAOGDD-UHFFFAOYSA-N 454.487 6.583 50 40 JKGB Cc1ccccc1[C@H](C#N)/C(=N\NC(=O)c1cc2ccccc2cc1O)C(=O)Nc1cccc(Cl)c1 104280080 KJHDIKSMXUGIOK-AIWQUDACSA-N 496.954 5.539 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(Br)c1OCc1ccc(Cl)cc1 107600737 JMBXGFBHOJBOCB-JMIUGGIZSA-N 479.761 6.626 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 108284071 TUJINVMXAJQAKJ-IUXPMGMMSA-N 459.716 7.198 50 40 JKGB Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl)[C@@H](C)CC(C)(C)N2C(C)C 223606233 NACAWTSUEPQTAQ-KCBNLNMNSA-N 470.444 7.348 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408543806 QXBSVEXDHIKPJY-LICLKQGHSA-N 485.456 5.861 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Br)c1OCc1ccc(F)cc1 408581935 JTFLWNAAJULKOD-UDWIEESQSA-N 482.349 6.639 50 40 JKGB O=C(N/N=C\c1cccc2ccccc12)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2 408734299 PBWYFRZWBGXTPV-MBTHVWNTSA-N 470.370 5.886 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1OCc1ccccc1 408745853 PNZDUCXLIWNDLQ-ULJHMMPZSA-N 468.553 5.947 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(C(=O)O)cc1 408790203 VATJFCCWRLGTFZ-CIAFOILYSA-N 490.943 5.870 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OCc2cccc([N+](=O)[O-])c2)c1 408805659 BMYGJHAPXITTQI-LDADJPATSA-N 463.877 5.381 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 408807712 OLGNTFYELGLBTP-GZTJUZNOSA-N 487.770 6.780 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1ccccc1F 408820386 VRZITEVNVQZMHN-NVMNQCDNSA-N 466.299 6.129 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OC(C)C 408828526 MUTPSHKWCGINDC-PXLXIMEGSA-N 490.987 6.651 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(Cl)c2)c(OC)cc1Cl 408837058 YKEYEFHUNZFEDP-VXLYETTFSA-N 497.378 6.444 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1Cc1ccccc1F 408866066 FLDYTIUVUADSLK-LICLKQGHSA-N 455.316 6.278 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl 408886008 CREWQRGDWXFBGR-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC(=O)c1ccc(C)cc1 408895949 MGYADVDSBLZJJJ-LDADJPATSA-N 481.335 6.075 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1cccc(Cl)c1Cl 408900818 XPRQSDQLRXENBG-LFIBNONCSA-N 471.727 6.412 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1C 408922743 GIAWGDCKGJMYIJ-LPYMAVHISA-N 460.961 6.480 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccccc1F 408961421 CCIILWIQVWMATI-VVEOGCPPSA-N 494.872 6.240 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 408966948 OEQUDHPSYYVOIT-ATZGPIRCSA-N 491.526 5.320 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3ccc4ccccc4c3)c2)cc1C 409014790 JVAGETVMHZPBKP-STBIYBPSSA-N 451.526 5.238 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1OCc1ccc(F)cc1 409071771 SEXLTOLCJQAZBX-BUVRLJJBSA-N 470.544 6.304 50 40 JKGB Cc1ccc(SCCC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 409124624 BALKHDOFHNLCPL-VULFUBBASA-N 460.430 6.342 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2)cc1OC 409327620 VFJLANOOIDSTQE-YSMPRRRNSA-N 483.362 5.199 50 40 JKGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(C)c3)n2-c2ccc(Cl)cc2)cc1 1811200 YBCACWNPJVIROG-JFLMPSFJSA-N 492.004 5.147 50 40 JKGB O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 2362362 HAWPZCOUXYBCTG-UVHMKAGCSA-N 496.792 5.635 50 40 JKGB CC(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 2698445 CZLVIPUMQUTGJM-RWPZCVJISA-N 491.020 5.349 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OC(=O)c1ccccc1 3087425 PLIBSCCXONDVHH-UXHLAJHPSA-N 467.525 5.020 50 40 JKGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c1 3666058 OKHGQUYUGZEIEK-CVKSISIWSA-N 462.347 5.881 50 40 JKGB Cc1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1 8433312 REKYONRMOXMTDQ-AFAVFJNCSA-N 494.065 5.619 50 40 JKGB Cc1cc(C)c(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c(C)c1 9310519 FHRMMOXPGGMJKF-GZTJUZNOSA-N 492.398 6.581 50 40 JKGB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccnc2)C(C#N)=C(SCc2ccccc2)N1 16512032 BWVYKCWDCDVLIO-VWLOTQADSA-N 452.583 5.658 50 40 JKGB CCc1c(C)sc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(C(F)(F)F)c2)c1C#N 20191302 JSGPYBBCDZPZJC-XDHOZWIPSA-N 495.526 6.634 50 40 JKGB N#C/C(=C/c1cn(Cc2c(F)cccc2Cl)c2ccccc12)C(=O)NCCc1ccccc1 20522164 BUVNPVNGKWQFCG-HKWRFOASSA-N 457.936 5.748 50 40 JKGB CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1 59334027 IKLHBPZMGOXGEG-ZDLGFXPLSA-N 469.766 5.830 50 40 JKGB c1ccc(COc2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 73258029 FMNSLUMFNZQRGN-UHFFFAOYSA-N 459.549 6.760 50 40 JKGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1 83301320 DVIDHPMJAOZVCT-IONSAMEVSA-N 494.563 5.166 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1ccc(Cl)cc1)c1cc2cc(Br)ccc2o1 83307423 OMDYAWPGUIAWED-ZMFRSBBQSA-N 483.749 6.192 50 40 JKGB O=C(c1ccc(Br)cc1)[C@@H](Br)[C@H](Br)c1ccc([N+](=O)[O-])o1 98042989 NRMSNTHDPHOSHS-NEPJUHHUSA-N 481.922 5.033 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)cc2)c(C#N)c1C 408547574 ZAYVGPRVEDKUDV-UDWIEESQSA-N 488.540 5.542 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OCC 408579970 MCGJASPFGXXCMW-RIYZIHGNSA-N 455.179 7.008 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1Br 408580988 FPFXQRPBNQWMEM-OVCLIPMQSA-N 481.184 6.082 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1 408585184 CIVOWHRRNSDRPW-IUXPMGMMSA-N 479.190 7.952 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@H](OC)c2ccccc2)ccc1OCc1ccc(Cl)cc1 408720092 RWGZNFSBIIBDBX-UJBXUPAJSA-N 452.938 5.156 50 40 JKGB COc1ccccc1/C=N/NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccc(C)cc2)n1 408724070 DPIIGDKKNGPIOR-NDZAJKAJSA-N 460.537 5.773 50 40 JKGB Cc1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3ccccc3Cl)c2-c2ccccc2)cc1 408729419 BFTMTMJTKGAKFX-HWIUFGAZSA-N 490.006 7.537 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 408743361 SIYNTUMOSXMVNA-MFOYZWKCSA-N 487.770 6.780 50 40 JKGB CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)cc1 408747185 KDVDFADMGSUVCY-JWGURIENSA-N 476.418 6.745 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)c(Cl)c3)c(C)c2)cc1 408849039 UWSCBUGGMDXDEK-FYJGNVAPSA-N 495.406 7.134 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 408852179 CWTLDXUMFYANRO-NTFVMDSBSA-N 485.496 5.421 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12)C(=O)Nc1ccccc1F 408882522 OSJFIRBUKHLRDI-XMHGGMMESA-N 491.349 7.410 50 40 JKGB O=C(COc1ccccc1Cl)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 408913610 QWLSLORLGIJQKH-DHRITJCHSA-N 473.754 5.211 50 40 JKGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc(-c4ccc(C(=O)O)cc4C)o3)oc12 408960537 GRINOWHQRMIRBL-OPEKNORGSA-N 497.301 5.234 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Br 409048871 PIJULFSENPPDIK-RIYZIHGNSA-N 464.113 5.749 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)c(Cl)c1 409053263 NTWIGVQKZFOEMD-RPPGKUMJSA-N 475.745 5.893 50 40 JKGB C=CCOc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1OCC 409184541 LSLAMUPGCPPTNZ-OGLMXYFKSA-N 458.583 5.603 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)cc2c1 409188488 ZTBDXWFMFJKXHZ-UVHMKAGCSA-N 470.356 6.310 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1ccc(C)cc1 409189108 CUNMLAZBBWDJLI-NDENLUEZSA-N 483.406 5.701 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409262735 JSPHCQACNBPTFH-NDENLUEZSA-N 489.959 5.529 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C 409267451 UYBNOWFQQBZOCX-MUXKCCDJSA-N 479.964 5.055 50 40 JKGB CC(C)(C)[C@H](N[S@](=O)C(C)(C)C)c1ccccc1P(c1ccccc1)c1ccccc1 1857795140 OMJJGAYXCQDARO-OOWIMERYSA-N 451.616 5.584 50 40 JKGB CC(C)(C)c1ccc([C@H]2[C@@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 1261448 ARLBHVVJLDILMP-FTJBHMTQSA-N 491.595 5.046 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccccc2Cl)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1F 2369495 DHTPNUYRFKGCTK-QFIPXVFZSA-N 467.953 5.280 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)sc(C(=O)OC)c1C 2403619 JKXZREDIEVLNTO-WJDWOHSUSA-N 467.572 5.428 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(F)cc3)N(c3ccc(C)cc3)C2=O)cc1 2408039 RBYJHADLRRXOCC-BSSRNLCFSA-N 471.557 5.508 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(C)(C)C)cc3)n2C2CCCCC2)cc1 9428140 YCSPVINFRNPZDY-RDRPBHBLSA-N 489.689 6.299 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1cccc([N+](=O)[O-])c1 9432092 DYXDRZNUKZQWJR-ITYLOYPMSA-N 492.605 5.299 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccc(F)cc1 12586019 JGCCMSAPSFPJCX-CAOOACKPSA-N 471.315 6.266 50 40 JKGB N#C/C(=C\c1cccc2ccccc12)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 12618750 SVZZVBDXJLSADE-VCHYOVAHSA-N 485.362 6.896 50 40 JKGB Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 13770473 CVWJEYXSGYKNCM-KGENOOAVSA-N 491.956 5.095 50 40 JKGB Cc1ccc(C(C)C)c(OCCn2cc(/C=C(\C#N)C(=O)NC3CCCC3)c3ccccc32)c1 15931713 LCMVQDDYKPYCND-OQKWZONESA-N 455.602 6.118 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)ccc1OCc1cccc(Cl)c1 20195204 HWYGDTUCYSQBGJ-LQKURTRISA-N 450.966 5.627 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)ccc1OCc1ccccc1 20368444 AKQNAQFOZWBEPA-DEOSSOPVSA-N 464.525 5.191 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc(OC)c1OC 33397034 ALGPMBAAPBLGNV-VIZOYTHASA-N 457.349 5.663 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccc(F)cc1 33616230 BDZXWDYTQRECKK-LGJNPRDNSA-N 479.489 5.300 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c3ccccc32)c1 59202241 QNUVTZMSEBYJKN-HAHDFKILSA-N 463.537 5.639 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cc(Cl)ccc1Cl 59336336 IQHNIQMFHOAYEW-DHDCSXOGSA-N 479.194 7.253 50 40 JKGB O=C(COc1ccccc1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 408535684 ZPEHBQBIGZHRAI-UVHMKAGCSA-N 452.341 5.526 50 40 JKGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1 408568299 SMJIBAMAYJVAFV-AJBULDERSA-N 450.582 6.409 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3C)n2)cc1OC 408724555 LUEYZIQSQLQWQF-ZCTHSVRISA-N 490.563 5.782 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 408745131 JXQFVHCCOSVCMS-KQWNVCNZSA-N 499.973 7.011 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)Nc1ccc(Br)cc1 408746163 XSIBPDKCZPIAFC-UKTHLTGXSA-N 471.694 5.606 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(C)cc1 408784033 RRTPNOWXHYZPEH-MTJSOVHGSA-N 453.380 5.497 50 40 JKGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 408868028 LCQVLISBHXYALB-NSKAYECMSA-N 474.779 5.774 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)ccc1Br 408904057 DALRZYJZTUKYMI-CFRMEGHHSA-N 483.322 5.400 50 40 JKGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1Br 408908592 AONGPVXCINSSIY-UVHMKAGCSA-N 498.764 5.082 50 40 JKGB Cc1c(Cl)cccc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1C 408967084 SDAPVONVTWDAOL-BRJLIKDPSA-N 450.882 5.474 50 40 JKGB N#C/C(=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)C(=O)Nc1ccc(Cl)cc1Cl 409233067 DCLLWOVBTRCCAV-YBFXNURJSA-N 464.327 6.681 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1cccc(C)c1C 409252206 CRXSRGOMXVWGAF-BUVRLJJBSA-N 497.595 5.882 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)c1 409271780 NALNQXBVNMMFHQ-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB Cc1c(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2n1Cc1ccccc1Cl 409390141 BTCXXSFEZDPAFR-FMFFXOCNSA-N 492.022 6.934 50 40 JKGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc(C)c1C 2360611 TWEQVPMZQGMVRB-MDWZMJQESA-N 485.905 5.519 50 40 JKGB COc1ccc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(C)cc1 2769650 DGGMWGMRHOXNRN-JYFHCDHNSA-N 450.542 5.176 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F 3231425 PXVFCLQXFQZZDI-QGOAFFKASA-N 456.851 6.483 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1ccc(F)cc1 8735744 YZOASPCZTTZTAB-WSDLNYQXSA-N 467.016 5.255 50 40 JKGB CCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(Br)c2ccccc12 9679426 VQIICHBYTYGFJM-JVWAILMASA-N 461.359 5.847 50 40 JKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 10058853 AWXLAVMRLGAQBR-FRQJIFLKSA-N 455.352 5.752 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)ccc1OCc1ccc(Br)cc1 14407535 HZLYYYIIJQTHAA-ZMOGYAJESA-N 457.324 5.092 50 40 JKGB O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1c(F)cccc1Cl 19833106 FEAMEXBLGRKGDD-PPDIBHTLSA-N 487.387 5.773 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1 20348395 BHFUGYRUORQLCC-HHHXNRCGSA-N 494.620 5.702 50 40 JKGB O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccccc1Br 20760106 VFPGAUSMZHHSJZ-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB Cc1ccc(/C=C(\C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1 27024767 FZNJCCNVAHKCHT-QGOAFFKASA-N 461.999 7.150 50 40 JKGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c1C 28217167 GOIRDZWZLFUBAP-KBVAKVRCSA-N 479.649 6.664 50 40 JKGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c1 33608590 YNOFWWCXSFWVMY-LGJNPRDNSA-N 456.329 5.295 50 40 JKGB CCCOc1ccc([C@H]2[C@@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 35375224 KRSXPVNJGBGZTK-ZJCBTPCYSA-N 458.606 5.740 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1cccc2ccccc12 58871206 PHSNHPQYJFTWNS-ZCTHSVRISA-N 466.581 6.489 50 40 JKGB C/C(=N\NC(=O)[C@@H](C)SCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 58917437 DRNFWIJUNWUDPS-TUBGRKDJSA-N 499.655 6.814 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Cl)c1C 59201411 AYPXMDFNLWEEOP-UDWIEESQSA-N 451.353 6.735 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 59536503 YDOZIFJIGPUVFW-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB Cc1cc(/C=N/NC(=O)C23C[C@H]4C[C@@H](CC(C)(C4)C2)C3)c(C)n1-c1cc(Cl)ccc1Cl 102954711 ISJLUIGGWAOSIE-IVCKUOTOSA-N 458.433 6.458 50 40 JKGB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCBr 103527562 YRVYJBQNWNWCQB-UHFFFAOYSA-N 455.052 6.290 50 40 JKGB CC(C)[Si](OC1=CCC[C@@H]2NC(=O)[C@@H](Cc3ccc([N+](=O)[O-])cc3)[C@@]12C)(C(C)C)C(C)C 195773212 YDMXKIHCINZRAJ-OTNCWRBYSA-N 458.675 6.128 50 40 JKGB CC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1ccccc1)N2 229974298 BGFCFSUMQMMXNS-VBZRGDGWSA-N 479.001 6.836 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)O)c1 408542509 LXPSSIBUYIGATI-ZDLGFXPLSA-N 495.304 5.411 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 408787936 HRHXHRPVGVNHQN-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c1 408794932 JQQJOZBMBGZSJX-UDWIEESQSA-N 451.353 6.735 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1cccc(C)c1 408797230 QVZLNCNVOZNYJC-YBFXNURJSA-N 493.357 5.596 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c(C)c1 408799524 ZMTMJQXGPWZUTM-DJKKODMXSA-N 496.350 6.643 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccccc1F 408816527 LSZSFCCVJMWGOE-WQRHYEAKSA-N 495.304 5.411 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Br)C(=O)Nc1ccccc1 408874893 DVNSVECFFOXAHQ-CPNJWEJPSA-N 451.751 6.239 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 408888185 XSWADSXNMODHKR-DEDYPNTBSA-N 475.476 5.566 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408892057 AJAMZNUGMPOTTM-HYARGMPZSA-N 471.513 5.735 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1nn(-c2ccccc2)c(N)c1C#N 408978932 OUNJKNCNBKMZLD-XDHOZWIPSA-N 486.362 6.276 50 40 JKGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1 409034596 IAUDANMUBNNOAA-WPWMEQJKSA-N 454.555 5.882 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OCc1ccc(Cl)cc1Cl 409078906 DXEJNQLQYKGCRA-UVHMKAGCSA-N 454.313 5.217 50 40 JKGB O=C(N/N=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O)c1cc(Br)ccc1O 409082440 SJYFQEGLOXZFMO-LGJNPRDNSA-N 469.379 5.092 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 409180897 UEFVGEXYNWXHGV-MUFRIFMGSA-N 463.364 6.418 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4cccc(C)c4)c(OC)c3)cc2c1 409186680 GKDCYRUWAKAADH-NTFVMDSBSA-N 458.514 5.491 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Cl)c1 409249184 ISCFLWGALHEWLN-BKUYFWCQSA-N 473.960 5.828 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)c(C)c1 409266248 PLGRLYXJCJXRLL-LPYMAVHISA-N 487.987 6.137 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(I)cc1 409369629 SFQSYWIZJGUALB-ZROIWOOFSA-N 466.105 6.922 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3Cl)n2C2CCCCC2)cc1 2697583 PDQCYEOLFGIPDW-CVKSISIWSA-N 468.026 5.655 50 40 JKGB Cc1ccc2c(Cl)c(C(=O)N/N=C/c3cc4c(cc3Br)OCO4)sc2c1 2737807 IITFMDKWLCHWRE-QPSGOUHRSA-N 451.729 5.118 50 40 JKGB N#CC1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@@H]1c1c(F)c(F)c(F)c(F)c1F 2760127 AEVVUYCTNTWBBS-CQSZACIVSA-N 499.361 5.706 50 40 JKGB COc1ccc(C2=C/C(=C3/N=C(c4cccc([N+](=O)[O-])c4)OC3=O)c3ccccc3O2)cc1CCl 8739846 ZJIAHLZWLJJRNG-GFMRDNFCSA-N 488.883 5.490 50 40 JKGB Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 8843117 DXMIBTUMAMDCFP-STBIYBPSSA-N 454.595 6.111 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1ccc(Cl)cc1 9292667 OVHLHLZJDVRBDT-JOCHJYFZSA-N 454.917 5.527 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(NC2CCCC2)c([N+](=O)[O-])c1 9763034 YKPRUCHGYRHJLL-DEDYPNTBSA-N 489.601 5.642 50 40 JKGB CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)cc1 12273805 FOGNDZAHBFTSMJ-SFJGOQPCSA-N 495.648 6.403 50 40 JKGB C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccc(O)cc1 13595932 GYSKOBJCAYYDFU-YUMHPJSZSA-N 464.978 5.076 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 14134520 RCPSWJKQDNKNFR-MUFRIFMGSA-N 496.523 5.091 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccccc1Cl 16712520 NGCFPHOGWGGSLX-DICXZTSXSA-N 497.411 5.269 50 40 JKGB O=C(NN=C1CCCCCC1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 20233007 KPGMDGMBMOIXAW-UHFFFAOYSA-N 475.614 5.522 50 40 JKGB Cc1cc(C)c(C2(C)CC(/C(=N\NC(N)=O)c3cc4cc(Br)ccc4o3)C2)c(C)c1 33769834 LVZCKJSTPPLACN-HPNDGRJYSA-N 468.395 5.861 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(Cl)nn1-c1ccccc1 58961924 WOHSXFWKHMIQKJ-RWPZCVJISA-N 495.435 6.544 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)Nc1ccccc1Cl 59117231 XRKKJPCQFMEAQW-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(-c2ccccc2)cc1 59533786 BGADTRMKGJJWSK-PPFNPFNJSA-N 499.614 6.147 50 40 JKGB CC(=O)N(/N=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)c1c(F)c(F)c(F)c(F)c1F 59639258 XTOGYYGTWIVIEG-OAHLVZFQSA-N 463.189 6.336 50 40 JKGB CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 72188024 TXGZJQLMVSIZEI-SKQJCQKOSA-N 491.672 6.291 50 40 JKGB CCCCCCCCCCCCCCCCCC(=O)N/N=C\[C@@](C=C=C(C)C)(CC)CCCC 104166668 GPSJXJPDOXTYTG-IRIOVGCYSA-N 474.818 10.058 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC 109633787 AMFSINYPSFUNHL-OQKWZONESA-N 499.051 7.422 50 40 JKGB CN(c1ccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1)S(=O)(=O)c1ccccc1 408725436 GKLZFEHVYGKUBB-VFCFBJKWSA-N 485.565 5.068 50 40 JKGB COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 408725488 QCKSLWSOXOTJOL-NJZRLIGZSA-N 472.548 5.979 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3C)cc2-c2cccc3ccccc23)cc1 408727397 WIXJRBYYIDLTNO-UXHLAJHPSA-N 489.535 5.981 50 40 JKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1 408778520 VSYDKTLFQZBLTK-PDGQHHTCSA-N 488.456 5.628 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 408796896 ZMTPSOQSMUONSF-WOJGMQOQSA-N 471.771 7.080 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)c1 408798506 FRRWXHNZENXVOC-CJLVFECKSA-N 497.392 7.035 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c(C)n1-c1ccc(I)cc1 408801419 SXNRLRWDJVDFRG-IHXXJONOSA-N 487.385 5.301 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccccc1F 408807647 DCFVCLSFPWQKBM-HMAPJEAMSA-N 460.505 5.035 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2 408809670 HLIJRPOBSUYZBR-UNOMPAQXSA-N 462.416 6.733 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OCC 408820997 BEWUQAVXONLOML-RCCKNPSSSA-N 476.960 6.262 50 40 JKGB COc1cc(/C=N/NC(=O)/C=C/c2ccc(F)cc2)cc(Br)c1OCc1ccc(C)cc1 408837567 IVYCJMNWHJRMPW-GUNDNOKVSA-N 497.364 5.648 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2)c(Br)cc1OCc1ccccc1Cl 408847808 SEHVSMLUELOBEA-VULFUBBASA-N 487.781 5.844 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1Cc1ccccc1Cl 408865748 FBIQGDFXTUHRCA-VCHYOVAHSA-N 485.798 7.182 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2c(C)ccc3ccccc23)ccc2ccccc12 408870103 UXGNZWIKWGPTPY-NHFJDJAPSA-N 496.610 7.989 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cccc(Br)c2)c1OCc1cccc(Cl)c1 408887898 RYACCZMZNRGKNS-DHRITJCHSA-N 473.754 5.454 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OC(=O)c1ccc(C)cc1 408890754 YQCTXIVSKQWGHS-DEDYPNTBSA-N 460.917 5.730 50 40 JKGB CC[C@@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 408945211 NEXDNJDJBGSDJU-HFPOZZQPSA-N 481.596 6.403 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1 408980029 PONCJLQNYHAIDB-MOYYISEASA-N 474.344 5.581 50 40 JKGB Cc1nnc(Sc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])s1 408993254 VHZXVKPENHUHJQ-MDWZMJQESA-N 457.924 5.105 50 40 JKGB CCCOc1cccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1 409034663 NPUWBFGKIQWWHK-LQKURTRISA-N 491.016 6.760 50 40 JKGB CCCOc1cccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1 409041978 WQSXKYRQAYEFBZ-WPWMEQJKSA-N 456.571 6.106 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409054494 GPQGPJCEEMNJSR-CPNJWEJPSA-N 475.932 5.302 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OC)c1OCc1cccc(Cl)c1 409063788 DRAHQFRHDISOFU-HYARGMPZSA-N 458.945 6.202 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(Cl)c2)ccc1OC 409322030 VSCGVIZYEIWIJB-VYYCAZPPSA-N 456.901 5.229 50 40 JKGB COc1ccc([C@H](C)CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c(O)c1 1022128 KUWLWGVTCWIFHN-FIKYGGOLSA-N 457.324 5.067 50 40 JKGB C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 1905864 IGEJSODGIAEFRO-LICLKQGHSA-N 470.381 6.151 50 40 JKGB COc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 2229054 QCQYGUQCUBDEHW-VJJQQEAFSA-N 483.593 5.377 50 40 JKGB N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2328290 UFRNXXFOKVJCJV-CKVBZJJFSA-N 461.493 5.030 50 40 JKGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 3112671 HQMINBJOULMTQU-LGJNPRDNSA-N 459.398 5.956 50 40 JKGB Cc1cc(OCC(=O)N/N=C/c2ccccc2Br)c(C(C)C)cc1Br 3169101 UXWXZSXAWDEZOD-LSHDLFTRSA-N 468.189 5.173 50 40 JKGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl)c1cccc(O)c1 3210544 XWJZWERIRJLGPS-LGJNPRDNSA-N 451.313 5.316 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccc(O)cc1 9357334 CGZRXLFXIVTNGR-PKAZHMFMSA-N 492.004 5.234 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)OC)ccc1OCc1ccc(F)cc1 12585953 PBEUKCHGKDPLTC-XSFVSMFZSA-N 474.488 5.136 50 40 JKGB N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)Nc1cccc(I)c1 16157801 JGRPSFBGYLTKCX-SFQUDFHCSA-N 466.278 5.629 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 20198009 IEUWDIQNEAJOCC-MUFRIFMGSA-N 484.955 6.010 50 40 JKGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCc2ccccc2Cl)NC2=C1C(=O)CCC2 20348076 BLVGUJSPFGNQLL-HSZRJFAPSA-N 450.991 6.101 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Br)cc3)c2)cc1 20764227 ZCSPPCHUCMRWTQ-MFKUBSTISA-N 453.336 5.191 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1ccccc1Br 26123332 TUMGIIMWSZAGSA-ZMOGYAJESA-N 488.179 5.555 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1Br 26123357 ODLMNNXUSXOZGX-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccc(Br)cc1 26123465 XXMONDFKQPVTSH-FSJBWODESA-N 475.184 5.383 50 40 JKGB N#C/C(=C\c1ccc(Sc2ccc(Br)cc2)o1)c1nc(O)c2ccccc2n1 41155236 MDVXSOPRGHADHU-ACCUITESSA-N 450.317 5.906 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(COc3ccccc3)o2)c(C)n1-c1ccc2ccccc2c1 96247573 LRVPMRJICLDIDJ-UXHLAJHPSA-N 463.537 6.183 50 40 JKGB COc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc12 108097829 MZLDCFNSNMNLDB-MNBJERMJSA-N 493.563 6.192 50 40 JKGB CC[C@@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118924629 FOQAJGFTDYXPDS-WILGDIOUSA-N 475.157 9.184 50 40 JKGB Cc1cc2c(cc1/C=N\NC(=O)c1cc3cc(Br)ccc3o1)[C@H](C)CC(C)(C)N2C 208228269 SSEUKCSVYMESCA-LCJWJQHCSA-N 468.395 5.990 50 40 JKGB CC[C@H](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4C[C@@H](Br)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 253499581 KBSDBYDTKXUZDW-XNOAOGQASA-N 493.614 8.686 50 40 JKGB biogenic C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OCC)c1OCc1ccc(C)cc1 408675978 CZRIAHUAIPLLPM-RUMWWMSVSA-N 497.639 6.065 50 40 JKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Br)c1 408792099 HVKPUNBXLITDGA-XDHOZWIPSA-N 463.331 5.588 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2Cl)cc1 408793921 HAZPIXHXFCSJKV-SRZZPIQSSA-N 465.380 7.043 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 408800340 MHQPFJZLYCHFMX-WOJGMQOQSA-N 471.771 7.080 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 408813752 VAARQKLUKJMPFJ-UDWIEESQSA-N 451.353 6.680 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Br)cc3)c(C)c2)c(C)c1 408846874 KLSZBGDIYUYVSO-OEAKJJBVSA-N 489.413 6.807 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCc1ccccc1C 408886744 ITQKUZPDDKFVSA-AFUMVMLFSA-N 453.336 5.109 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1cccc(Cl)c1 408891071 KVMUHAFJHYOSJO-VULFUBBASA-N 487.781 5.844 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1OCc1ccc(F)cc1 408966019 YQTJRNLUZDXKAV-IBBHUPRXSA-N 486.465 5.925 50 40 JKGB CC(C)(C)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccccc3)o2)cc1 408999184 SXYAJSKHIHWBDQ-SSZFMOIBSA-N 481.415 7.036 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2O)cc(Cl)c1OCc1ccc(Cl)cc1 409050081 ZXZHRNPNXIQEPF-LGJNPRDNSA-N 459.329 5.441 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 409066587 BBPHYBXDWXTVMZ-SFQUDFHCSA-N 494.370 5.466 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1nc2ccccc2[nH]1 409073809 IRKNPIVQLBSPKE-WOJGMQOQSA-N 474.314 5.667 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2O)ccc1OCc1cccc2ccccc12 409084841 QQKBJFQOOVFSON-LQKURTRISA-N 485.496 5.195 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(Cl)cc1Cl 409124466 KOPLNRDHBJFXCE-XMMPIXPASA-N 483.351 5.895 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1 409256374 OMAPIORGCRUBFJ-BKUYFWCQSA-N 473.960 5.828 50 40 JKGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1Cl 409321352 FUCRQSNLFMHKSL-YUMHPJSZSA-N 450.922 5.256 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCCC)c(Cl)c2)cc1OCC 409321391 GHYJXCLJVKVXMU-QFEZKATASA-N 451.350 5.510 50 40 JKGB C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NN(c1ccccc1)c1ccccc1 409336550 PBNYVVMXXKJSPQ-PXDATVDWSA-N 475.589 5.355 50 40 JKGB COc1cc(/C=N/NC(=O)CC2(C)SCCS2)ccc1OCc1cccc2ccccc12 409362668 JSJUHBZYGFSHOX-WGOQTCKBSA-N 466.628 5.464 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)c(O)c1 409393179 VCTMVXROGWSHRZ-RPPGKUMJSA-N 475.328 5.059 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1 1468905 RMRRFLJETBTVGK-YUMHPJSZSA-N 489.919 5.371 50 40 JKGB C[C@H](Br)[C@@H](OC(=O)c1ccccc1Cl)c1cc2c(cc1Br)OCO2 1614641 OYRYQINIKOPUTO-XXFAHNHDSA-N 476.548 5.513 50 40 JKGB COc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1OCc1cccc(Cl)c1 2077154 AUGDSSLIAHKVBF-LGJNPRDNSA-N 459.329 5.110 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(F)c3)n2C2CCCCC2)cc1 2697599 HPSMIFGCEDZSGA-CVKSISIWSA-N 451.571 5.140 50 40 JKGB O=C(N/N=C/c1ccccc1Br)c1ccc(CSc2cccc3cccnc23)cc1 3233028 FTSFQEOVKVEPMA-JFLMPSFJSA-N 476.399 6.054 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1Cl 8438230 DOKQEQKTNWZLBN-DEOSSOPVSA-N 478.976 5.769 50 40 JKGB COC(=O)c1cc(N/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc(C(=O)OC)c1 8914631 JMSJBHJCKWLWER-STZFKDTASA-N 475.570 5.558 50 40 JKGB Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 9223192 KTFXEZRFIXWUKB-XMMPIXPASA-N 450.542 5.299 50 40 JKGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1Br 9665492 DALAIIMCIINHDM-YDZHTSKRSA-N 451.349 5.127 50 40 JKGB COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C(C(C)=O)=C(C)N2)cc1 12250207 RPNWIEHVMHAXAE-QHCPKHFHSA-N 467.978 5.005 50 40 JKGB CO[C@H](C(=O)N/N=C/c1c(Br)c(C)n(-c2ccc(C)cc2C)c1C)c1ccccc1 20243804 UHTNJNSVTXVZHX-XHEHIBSSSA-N 468.395 5.311 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(I)c1OC(C)C 33407891 WWPJVZVQIATNGY-CHHVJCJISA-N 464.259 5.059 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 59225072 IUKRJXNYVSXKSS-LDADJPATSA-N 478.302 5.482 50 40 JKGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1cc2cc(Br)ccc2o1 59305514 MEGMWGHILRVKRQ-YSURURNPSA-N 478.129 6.526 50 40 JKGB CC(C)CCC[C@H](C)[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 118935254 DHZKAQAKUFROMZ-YWLXXMLHSA-N 465.560 8.050 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc2c(c1)[C@H](C)CC(C)(C)N2C(C)C 223546773 VXAFGVCSNRMVKK-JOBSNELWSA-N 472.427 5.722 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cccc(OCc2ccccc2Cl)c1 408534499 VSXRWSNOMXQUFI-VFLNYLIXSA-N 461.871 5.500 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC 408537606 GFICOQFBYBJQDL-HMMYKYKNSA-N 470.997 6.729 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)NCc1ccccc1 408747863 UWFAIVDGLYKQAW-QFEZKATASA-N 497.392 6.405 50 40 JKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1 408780614 GHSNOGWFZMBCIK-STZFKDTASA-N 457.486 5.507 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1C#N 408788862 GBZCYLPOSAEDAZ-KEBDBYFISA-N 492.362 6.388 50 40 JKGB N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 408813533 QPKZUZXGWSQURB-HKOYGPOVSA-N 488.974 7.771 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1 408858496 ZJPLDKHCSSNONC-GZTJUZNOSA-N 451.841 5.512 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1Cc1ccccc1Cl 408873915 XDRVXNLEVHZAEG-WOJGMQOQSA-N 485.798 7.182 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1OCc1ccc(Br)cc1 408877810 YQZHIPYXTHXWSL-GCOOECRJSA-N 485.422 5.703 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 408887127 MGDWLNNVBVIVKR-RPPGKUMJSA-N 486.380 5.956 50 40 JKGB O=C(N/N=C/c1cccc(OCc2cccc(Cl)c2)c1)c1cc(-c2ccccc2)nc2ccccc12 409036896 WPGOCHCLOICGSD-BIZUNTBRSA-N 491.978 6.898 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OCC)c1OCC 409037804 UCENPQIDWJCTHK-GTWSWNCMSA-N 479.580 6.192 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)c1 409048210 RKNWGCBRVCZMNZ-WOJGMQOQSA-N 480.351 5.865 50 40 JKGB N#C/C(=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 409082389 SEUZDFIIXQJWCN-DHDCSXOGSA-N 464.821 5.494 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OC)c(Br)c3)cc2c1 409187167 MZIGOBGEGCCADO-YVNNLAQVSA-N 451.704 5.020 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)c2)cc1Cl 409266458 YXUUCNURUKTTRB-WOJGMQOQSA-N 480.351 5.865 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1OCC 409312050 JCLQUBYBTFYOLN-RHANQZHGSA-N 496.991 5.879 50 40 JKGB Cc1cccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)/C(C#N)=C/c4ccccc4)ccc3c2=O)c1 1777188 GLUSWBUCGITHLP-QGOAFFKASA-N 491.421 6.425 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccc(C)cc1 2077151 ZAWYIWVBKBODHW-VULFUBBASA-N 483.362 5.118 50 40 JKGB O=C(CNc1c(Br)cc(Cl)cc1Br)N/N=C/c1ccccc1Cl 3091104 NNMWRLHXYZGXFX-QPSGOUHRSA-N 479.987 5.081 50 40 JKGB Cc1cccc(C(=O)NCC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1 4106525 AYQOCHQIWWOBAF-VVEOGCPPSA-N 493.394 5.185 50 40 JKGB COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc(Cl)cc3)n2-c2ccccc2)cc1 9046718 NOZZUKUAWUNMBD-PKAZHMFMSA-N 492.004 5.229 50 40 JKGB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=N/NC(=O)c1ccccc1Br 9665496 PEYNYFFBZJDLCE-AUEPDCJTSA-N 466.166 5.073 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccccc2Cl)cc1)[C@@H]1COc2cc3ccccc3cc2O1 30802538 MZZROXKTZQKUMX-RXVVTVJDSA-N 472.928 5.362 50 40 JKGB O=C(N/N=C\c1c2ccccc2cc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12 33360484 PZASICHLGKOBHY-RGXNXFOYSA-N 451.529 6.972 50 40 JKGB C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CC/C=C(\C)C=O)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)O)[C@H]12 34075136 YLQIANWVVVMWMO-VDPDGNGOSA-N 482.661 6.123 50 40 JKGB biogenic CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 83301885 JAFHVPKPXHGROS-ZIBFIRQOSA-N 490.003 5.706 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(-c2ccc(C)cc2Br)o1 101694099 LRLHIWXZFBNFDI-MFOYZWKCSA-N 457.331 6.026 50 40 JKGB CCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103527918 SYXCFWUSKUHRHX-ZCFIWIBFSA-N 480.099 6.474 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OS(=O)(=O)c1ccc(C)cc1 408580338 OOUXMWQBPLOBTL-LDADJPATSA-N 488.392 6.532 50 40 JKGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408610236 MWKDAUHXNAOYIJ-FJEPWZHXSA-N 498.410 5.462 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccccc1 408752384 AHASHSBESLACAF-JCMHNJIXSA-N 473.370 6.302 50 40 JKGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccccc1-n1cccc1 408761052 GZNHYDGSFQRDGA-ZTKZIYFRSA-N 495.560 5.162 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 408788206 JCFSUVHUPKKSFO-XDHOZWIPSA-N 481.335 5.905 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)c(C)c1 408819642 ZVLWCXBFNRUSFE-CIAFOILYSA-N 495.406 7.134 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 408879911 HRNVEVLJWONJKD-WOJGMQOQSA-N 486.196 6.892 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC(=O)c1ccccc1 408885597 COXQDCYCLMVRJX-GZTJUZNOSA-N 477.860 5.022 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1cc(C)cc(C)c1 408888864 CAZUDLJPRYVGJH-KEBDBYFISA-N 481.379 6.744 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)c([N+](=O)[O-])c1 408889606 HRKLKIGRTAUMMV-LTGZKZEYSA-N 477.476 5.821 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1ccccc1 408990247 WLALUWBSRBKYJD-IWIPYMOSSA-N 486.999 6.900 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)c1 409054453 GGHBNFZPZLXBDI-CPNJWEJPSA-N 490.357 5.321 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1cccc(I)c1 409228328 XJAZRBBLMIFIFS-WBRURWICSA-N 495.364 5.483 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1 409257862 QZAIFOXGOYJVQR-MOSHPQCFSA-N 489.959 5.529 50 40 JKGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 409258578 USLOSTDGSNMFDQ-OGLMXYFKSA-N 479.418 6.018 50 40 JKGB Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1Cl 409267725 WAZALWQJZKHZMX-ZMFRSBBQSA-N 456.329 5.083 50 40 JKGB Cc1ccc(C(=O)[C@H]2C[C@H](Br)[C@H](Br)C[C@@H]2C(=O)c2ccc(C)cc2)cc1 1727352 XZYYQGVVCUOYTR-LWYYNNOASA-N 478.224 5.922 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2c(F)cccc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 2697696 YNLSBFFIBCHOTK-LGJNPRDNSA-N 474.005 5.297 50 40 JKGB COc1ccc(-c2csc(N(NC(=O)NC3CCCCC3)C(=O)NC3CCCCC3)n2)cc1 8754508 ZGORRZIDVXDZEO-UHFFFAOYSA-N 471.627 5.214 50 40 JKGB Cc1sc2nc(/C(C#N)=C/c3cn(-c4ccccc4)nc3-c3cccc(Cl)c3)nc(O)c2c1C 25393984 KURCWGAKLOBLMN-WOJGMQOQSA-N 483.984 6.584 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2c(C)cccc2C)N1 28627733 PHHZQRVVNYAWDP-VWLOTQADSA-N 498.608 5.603 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccccc1C#N 33785022 FEBVXIQSCIFTJO-UKWGHVSLSA-N 487.899 5.043 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)ccc1OCc1ccccc1Cl 34707230 KCRRMYNMUQIWAZ-JFLMPSFJSA-N 468.937 5.099 50 40 JKGB CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1 59333122 DGZGTIOMHOFVEG-MEFGMAGPSA-N 466.629 5.693 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)OCC 59336497 ZXPSHTDTZAPLHV-ATVHPVEESA-N 459.329 5.209 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)c1 102609566 YJIBABMFDXMXPH-XMMPIXPASA-N 492.044 6.926 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(O)CC(C)(C)CC3=N2)c(C)c1 103886416 UIUCXZWKQAYBCN-QHCPKHFHSA-N 477.655 6.642 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 108895618 BKTPAZUPKWNANE-WQRHYEAKSA-N 470.516 6.816 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1OC 408579416 HCLNXUJRPAYQKG-VXLYETTFSA-N 453.897 6.148 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccc(Cl)cc1Cl 408579570 HZEBOKSCGMMKGX-WOJGMQOQSA-N 499.224 9.097 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)cc1 408734506 HDTJUQKPLSLUSJ-CPNJWEJPSA-N 481.777 6.536 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408803576 QSGJXRVXNVMIGV-DAPWMZFQSA-N 456.546 5.508 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1 408815867 VLEDWHRUFLHLBD-JCMHNJIXSA-N 469.972 5.883 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1cccc2ccccc12 408817069 SVEQCAARNGNXGX-PXLXIMEGSA-N 452.485 6.112 50 40 JKGB O=C(N/N=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)c1cc2ccccc2o1 408820054 SURHIPQQBJCDJC-MNDYBZJGSA-N 489.358 7.236 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(OC)c1 408840271 ACGSPDSATLMXJD-MZJWZYIUSA-N 492.988 5.988 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1OCc1cccc(C(=O)O)c1 408846015 OJUOOKZZMFBYRE-OCSSWDANSA-N 497.551 5.144 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2cc(Cl)ccc2C)cc1 408867588 LSVHPOFAYFZSLT-RWPZCVJISA-N 498.048 5.228 50 40 JKGB N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408881786 KOWSSRZMSUIREF-VCHYOVAHSA-N 480.293 5.633 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OCc1ccc(Cl)cc1 408885001 ZPHSUIYRXQCDAO-YBFXNURJSA-N 477.904 5.690 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408886753 LUVAKWLRHZANGQ-DHZHZOJOSA-N 462.676 6.361 50 40 JKGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cccc(C(F)(F)F)c2)c(Br)c1 408891212 MYTSAOUTSOFTAC-KPKJPENVSA-N 488.101 6.085 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1OCc1ccccc1Cl 408896391 NHDXFYDOUHAJTL-XDHOZWIPSA-N 467.352 6.435 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 408898833 XWOVYOHFPPFGHO-HEHNFIMWSA-N 498.560 5.470 50 40 JKGB C=CCOc1cc(Br)c(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1OC 408905014 RYHGKIAMXGGJLY-JJFYIABZSA-N 497.187 5.249 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408997950 PEJWLHNQBZWDNZ-CCVNUDIWSA-N 482.367 6.337 50 40 JKGB CC(C)COc1c(Br)cc(/C=C(\C#N)c2nc3ccccc3o2)cc1Br 409044540 VUEJDRLHGPHONB-VGOFMYFVSA-N 476.168 6.452 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1Cl 409052419 HFMAUOAUEFUUFY-LUOAPIJWSA-N 465.739 6.437 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(O[C@H](C)CC)c(OCC)c3)cc2c1 409188238 XQYXPLINPWINLZ-ZASWBZMTSA-N 458.942 5.825 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1ccc(Cl)cc1 409190830 WQHUYZTXHYBLLY-KBKYJPHKSA-N 451.712 6.129 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1cccc(C)c1 409229422 OUODOUXZVGEXRW-CFKHXJFWSA-N 474.988 6.411 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 409230628 DPBMZTNFBBFYIZ-UQQQWYQISA-N 484.552 5.018 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1c(OCc2ccccc2C#N)ccc2ccccc12)c1ccccc1 409238047 KAZKWKDJDCTQJY-XOASYVKCSA-N 457.533 6.075 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 409251466 QIYVTMGIDLHWOQ-MUXKCCDJSA-N 479.964 5.055 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccccc2Cl)c1C 409256090 JTEDPRQAEXCUPK-ZHZULCJRSA-N 459.933 5.520 50 40 JKGB COc1cc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1c(Cl)cccc1Cl 409369794 XYZYPFLRIZYBCP-HXUWFJFHSA-N 460.361 5.759 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 409378601 QHMIADLLKCQYHP-YBEGLDIGSA-N 484.314 5.696 50 40 JKGB COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@@]4(C)[C@@]3(O5)C(=O)[C@@H](Br)[C@]12C 2038223635 XDHSPKUJYNEBHS-YNWSGNMVSA-N 481.471 5.308 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)cc1 1298806 HPDPXMIBNWIKAY-SDNWHVSQSA-N 469.444 5.920 50 40 JKGB O=C(CCl)Nc1ccc(-c2nc(-c3ccccc3)c3cc(NC(=O)CCl)ccc3n2)cc1 1435672 BXQOZFSZBGDTLZ-UHFFFAOYSA-N 465.340 5.318 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 1888025 CSDBICFFYGAKAI-UZEPBSNMSA-N 467.594 5.677 50 40 JKGB N#C/C(=C\Nc1ccc(I)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 2288778 FPRBKLMYTLWZLD-SDNWHVSQSA-N 497.317 5.498 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 2337140 WTQYHNNGDWLDQF-LGJNPRDNSA-N 490.460 5.812 50 40 JKGB CC(C)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc4ccccc4c3)=C2C#N)cc1 9014533 QWEFZPXKTZPXKC-HSZRJFAPSA-N 455.583 5.674 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc(Br)c1O 9441395 JHCDEVZQICHYJY-ZTFCMROMSA-N 486.391 5.040 50 40 JKGB N#CC(C#N)=C(c1ccccc1)[C@H]1[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)C2CC2)[C@H]1c1ccccc1 13535714 YCTYCODSHQCPSX-OQOFHLOUSA-N 467.572 6.151 50 40 JKGB Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 14165883 WQFCHUUALVBQOF-OPEKNORGSA-N 466.821 6.297 50 40 JKGB CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccnc3)c3ccccc3n2)c(OCC)c1 15934362 HWQUGDSCEOXIRB-UXHLAJHPSA-N 454.530 5.248 50 40 JKGB CCOC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 16682041 WABIBKDEOIQVEL-NSIKDUERSA-N 485.161 5.814 50 40 JKGB N#C/C(=C\c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)Nc1ccc(Cl)cc1 16735518 KNYMORWRFOHIOZ-FYWRMAATSA-N 477.307 5.339 50 40 JKGB N#CC1=C(N)OC2=C([C@H]1c1cccc(Cl)c1)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12 20558544 IPAWYCOHYQAQTR-QFIPXVFZSA-N 493.947 5.006 50 40 JKGB C/C(=N/NC(=O)COc1ccccc1C)c1cccc(NC(=O)c2csc3ccccc23)c1 22564359 FZUVLDJCBMRSTJ-VEILYXNESA-N 457.555 5.381 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(C(=O)O)o1 33479630 XYXYLCJJDZDVNR-SXGWCWSVSA-N 466.877 5.073 50 40 JKGB CC1(CC(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)SCCS1 35146192 FAOIARMYKCKHBV-CVKSISIWSA-N 471.047 6.109 50 40 JKGB COc1cccc(/C=N/NC(=O)CN2CCn3c4c(c5cc(C6CCCCC6)ccc53)CCC[C@H]42)c1 57151483 INNGXZYDWCJGSZ-RYBVODPGSA-N 484.644 5.541 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccccc1Cl 59117225 TWJNZFWURBAFKA-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB CCCC[C@@H](I)C[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95677035 JQEZOODFYSEAMT-RQJHMYQMSA-N 496.098 6.405 50 40 JKGB CC(C)=CCC/C(C)=C/C[C@@H](O)/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 100159215 KVTCHSWVSFQOTP-YFPNSAJKSA-N 474.726 6.612 50 40 JKGB biogenic NC(=O)c1c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)sc2c1CCCC2 100363399 WZHCJMPZGOSVJU-UHFFFAOYSA-N 456.551 5.535 50 40 JKGB CCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103528061 NBGPKUJGJLFFFP-MRVPVSSYSA-N 458.146 6.619 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1 139170699 QXDSMTNLUSWJRQ-DEDYPNTBSA-N 481.379 6.825 50 40 JKGB CCCCCCCCOc1ccc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1OCC 408541099 XSAGMRKZEAOCMR-SWKFRHMKSA-N 460.618 6.671 50 40 JKGB CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cccnc3)c2-c2ccccc2)cc1 408744089 WKIBRLJHLJUCOL-STKMKYKTSA-N 486.575 6.369 50 40 JKGB N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1 408778500 GLXMEELKRIUXDS-JXAWBTAJSA-N 492.431 7.286 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c1 408792302 AIBDPUFWUZBCJE-UDWIEESQSA-N 451.353 6.735 50 40 JKGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Br 408793379 OPTPJGZLQJTJPZ-VGOFMYFVSA-N 464.157 5.383 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2ccc(Cl)cc2)cc1 408866993 JKINMZSMSOPGTJ-UHFFFAOYSA-N 490.069 5.552 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)c1OCc1cccc2ccccc12 408887298 PIWMJUKYRWNBEX-XQNSMLJCSA-N 482.967 6.935 50 40 JKGB Cc1ccc(Sc2oc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2Br)cc1 408911643 ATHRNGQQGBHMDD-SRZZPIQSSA-N 460.309 5.174 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408966258 KXNAPQSVEVHPHP-JFLMPSFJSA-N 482.422 5.683 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)cc1 409040554 GRHMJNVTAHJADL-WOJGMQOQSA-N 485.342 6.656 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1cccc2ccccc12 409068674 BNOZMVYETOHYNR-OVVQPSECSA-N 490.559 7.518 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccccc1F 409203871 ZLEBQVTZVDHTPF-ZDLGFXPLSA-N 483.293 6.148 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)c1ccc([N+](=O)[O-])cc1 409215321 XLWBMSABXPOUQK-MFOYZWKCSA-N 487.712 6.793 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(Br)c(Cl)c1 409241502 OAJWPMRAAIHZTM-STZFKDTASA-N 496.836 6.166 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccc(Cl)cc1 409366669 ULQCIYVJNYVIQL-KKMKTNMSSA-N 487.339 5.464 50 40 JKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)(F)[C@@H](F)Cl)n2)cc1C 1745870 YGFFXSKHGPSDAJ-RBNQXFGJSA-N 463.912 6.910 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccnc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 1819707 BXAYFIZVWMVXFZ-STBIYBPSSA-N 484.629 5.178 50 40 JKGB COc1ccc(Cl)cc1C(=O)NNC(=O)c1oc2ccccc2c1CSC1CCCCC1 3361023 PFYDVHDUGVUCHM-UHFFFAOYSA-N 472.994 5.736 50 40 JKGB O=C(Cn1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21)Nc1ccc(F)cc1 4065290 QAFMSZMAQLWVMY-KVSWJAHQSA-N 483.330 5.490 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@H]2c1ccc(Cl)cc1Cl 9244841 ICVKHTJLCGGISX-OAQYLSRUSA-N 483.355 5.842 50 40 JKGB COc1ccc(/C=N\NC(=O)c2cc(-c3ccc(OCc4cccc5ccccc45)cc3)n[nH]2)cc1 33364120 RUHFDSOCBFXDOZ-YKQZZPSBSA-N 476.536 5.581 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 34846521 RXVXKYGMBSTTOA-WQRHYEAKSA-N 497.320 6.538 50 40 JKGB COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)ccc1OCc1cccc2ccccc12 35127818 QCVHRTXXTQYCOU-PXLXIMEGSA-N 480.614 7.694 50 40 JKGB N#CC1=C(N)O[C@H]2[C@@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1c(Cl)cccc1Cl 35183009 XAOMVATWJGHFGS-GMBSWORKSA-N 453.251 5.182 50 40 JKGB C/C(=N\NC(=O)[C@@H](C)SCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 58917432 QIHJRFVCRSSZSP-BGCLVDJVSA-N 481.665 6.675 50 40 JKGB Cc1nn(-c2ccccc2)c(Cl)c1/C=C(/C#N)C(=O)Nc1ccccc1Oc1ccccc1 96398842 HWYNTHCPDKDYGY-MNDPQUGUSA-N 454.917 6.172 50 40 JKGB CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccccc1F)[C@H]2Br 103163098 FDSGYGIVCKMGRA-UVBJJODRSA-N 498.028 5.450 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408553617 OPZOYGHZULOZPZ-ATVHPVEESA-N 496.350 5.565 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 408580005 MLYIENMTAVCKPR-XSFVSMFZSA-N 453.947 5.879 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408581888 ZOUITJLASYJVRO-GIJQJNRQSA-N 493.217 8.342 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)CC2=O)cc1 408603776 HAWJEMJFMPHBFR-GOSISDBHSA-N 484.383 5.377 50 40 JKGB CCOc1cc(/C=N\NC(=O)CCc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 408718595 GPXLAVCWTUXEFF-NTFVMDSBSA-N 485.367 5.694 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2O)cc1Cl 408734799 JXSAFMGBQUFBPW-NYYWCZLTSA-N 470.548 5.425 50 40 JKGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 408753165 IJIJDDVVCXNGSR-UVTDQMKNSA-N 480.274 5.366 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(F)c1 408790232 OBDOMPFOKLTWQI-GIJQJNRQSA-N 495.894 5.911 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Cl)c2)cc1 408794648 AEYPABNOPXRVTA-LFVJCYFKSA-N 480.995 7.489 50 40 JKGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 408818024 OSCAMLHDDOHPCI-WUYOVAOFSA-N 458.989 6.674 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)cc1 408848903 XAGBLZCXYKRTBI-MZJWZYIUSA-N 477.973 5.888 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc2c(c1)OCO2 408849375 ZQELCSVGWXOEFK-FDVSRXAVSA-N 484.508 5.242 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408890299 RASFVTIGCDLFSJ-MHWRWJLKSA-N 482.279 5.666 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1ccc(C(=O)O)cc1 408890312 RFYJKJVAWNKOBN-LTGZKZEYSA-N 462.461 5.303 50 40 JKGB Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1 408899800 QTYSGOAMCGFDBS-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc2Cl)cc1 408986071 ZIPLFRNKGXDLHI-GRSHGNNSSA-N 485.798 7.388 50 40 JKGB O=C(N/N=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccc(Cl)cc1 409196376 ZUKTZDWDTKPJKI-IPPBACCNSA-N 483.782 7.143 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)NCc1cccs1 409197818 PMHDYTYYCKOZQN-LICLKQGHSA-N 466.393 6.281 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 409215334 ZEBASGMPKBKTOE-QNGOZBTKSA-N 485.337 7.154 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)cc2)ccc1OCc1ccccc1 409309650 KLHLODOBJZLFDW-MZFJOGFUSA-N 498.554 6.146 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2F)cc1OC 409316946 RUYLZAMYJBPYLJ-VYYCAZPPSA-N 456.901 5.229 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 664765 LZWBEOPDJAAUDY-KRWDZBQOSA-N 465.332 5.379 50 40 JKGB COc1ccc(-c2csc(N(NC(=O)NC3CCCCC3)C(=O)Nc3ccc(C)cc3)n2)cc1 1415266 ZXAWXVJVMZFTCX-UHFFFAOYSA-N 479.606 5.713 50 40 JKGB COc1cc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c(C(C)=O)cc1OC 2303094 SGPQIRRTOWLXOW-FOWTUZBSSA-N 473.510 5.113 50 40 JKGB COc1cccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)(F)[C@H](F)Cl)n2)c1 2317973 DEEZYFLQQYEFEK-IXDOJHRFSA-N 465.884 6.301 50 40 JKGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N3CCCCC3)c(Oc3ccc(Cl)cc3Cl)nc12 2703870 NMXLAUDZBJWIIK-FOWTUZBSSA-N 483.355 5.022 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1 8429899 GSLSQFVPXPAOSC-SANMLTNESA-N 480.593 5.393 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)c1 8811208 TVSJPZWGMFMUIX-STBIYBPSSA-N 454.526 5.508 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OCc3cccc4ccccc34)n[nH]2)cc1 9375207 GOKHZNCAQPLUNL-UXHLAJHPSA-N 476.536 5.581 50 40 JKGB N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@@H]1c1c(Cl)cccc1Cl 9693598 WCNAADZNLSMUAI-AWEZNQCLSA-N 450.778 5.866 50 40 JKGB O=C(N/N=C(\c1ccc(O)cc1)c1ccc(Cl)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 9762564 HOLMBIUVIWOODI-FSGOGVSDSA-N 486.799 6.266 50 40 JKGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 13176789 IQKARVQQMKKHMO-QFIPXVFZSA-N 498.435 6.103 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(C)c3)c2C)cc1 16687898 CLHYRERLFHIYLO-KGENOOAVSA-N 461.949 5.778 50 40 JKGB Cc1ccccc1CSCC(=O)N/N=C/c1c(Br)c(C)n(-c2ccccc2)c1C 20243616 VLHDJKIVMHGKRV-DHRITJCHSA-N 470.436 5.549 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCCOc3ccc(C)c(C)c3)c(OC)c2)cc1OC 26675988 HLPHHGVZDLFGKF-LPYMAVHISA-N 493.987 6.505 50 40 JKGB COc1cc([C@H]2[C@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1ccccc1 36611143 OUUABTOZVPYXLW-FUCNBRFFSA-N 492.623 6.140 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1F 59117142 ZJJAPFWMRKLYII-BOPFTXTBSA-N 485.740 6.366 50 40 JKGB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 59117523 GHKOZGRBBYDGIF-VZUCSPMQSA-N 456.123 5.319 50 40 JKGB COc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)N(Nc2ccccc2)C2=C1C(=O)CC(C)(C)C2 59226932 AKDRLYSHMYQVEC-JOCHJYFZSA-N 493.405 5.221 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCc1ccccc1 59536149 VHTPDILPSQBFRE-MFKUBSTISA-N 453.336 5.191 50 40 JKGB Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl 96399892 IFXMLPFONRRBPV-JXAWBTAJSA-N 480.399 6.024 50 40 JKGB ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]4C[C@@H]([C@H]3[C@@]1(Cl)C2(Cl)Cl)[C@H](I)C4 103903034 NLGITZRGNAIORZ-UQGJSVSASA-N 492.826 5.908 50 40 JKGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)oc12 208205333 PQWGTJXMRUVKGC-WOLHVBPDSA-N 484.394 5.690 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1ccccc1F 408541978 IMTGDPFNQVJMMX-GRSHGNNSSA-N 482.305 5.938 50 40 JKGB N#C/C(=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)c1ccc2ccccc2c1 408551277 MTOPJIGUYLBCPR-ITYLOYPMSA-N 456.501 7.544 50 40 JKGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 408607595 DSPXPFJDGRPMKE-FJEPWZHXSA-N 498.410 5.462 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 408711769 JRCNHCKRJFZAAG-WKULSOCRSA-N 480.395 6.088 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1F 408744207 DKJYUXIJPFAZPB-YVLHZVERSA-N 471.315 6.266 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3c(C)ccc4ccccc34)ccc3ccccc23)cc1 408797536 GMCBHAUKQCXQSH-NCELDCMTSA-N 498.582 7.435 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C)c(C)c2)cc1 408802895 IXMNPJFITZDNIS-LFVJCYFKSA-N 454.526 5.605 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc([N+](=O)[O-])cc1 408808652 QOAWWYXZHJRNIJ-CPNJWEJPSA-N 461.449 5.257 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1Cl 408821811 KISJTZISTRWJMC-PXLXIMEGSA-N 460.961 6.562 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)NC1CCCCC1 408863255 QPFQSNRLOXGMEO-RGEXLXHISA-N 462.391 5.808 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408883238 SECICQGYXCHZPU-MHWRWJLKSA-N 482.279 5.666 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OS(=O)(=O)c1ccc(C)cc1 408892977 DPZZOFAZUGPBCK-CJLVFECKSA-N 498.560 5.470 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408893578 HADSLCSIJIRJLJ-BJMVGYQFSA-N 497.121 7.014 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 408896912 OXFJQFQFQGGWHY-DEDYPNTBSA-N 451.353 6.680 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OC(=O)c1ccc(C)cc1 408897861 ZYSYPVXTYOAVIB-LDADJPATSA-N 481.335 6.075 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)cc1 408923804 KIBBHKPJGFNUHZ-XDHOZWIPSA-N 492.329 5.790 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2o1 408967689 WSRMUIGGXABJJP-RPPGKUMJSA-N 484.295 5.991 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)c2C)c1C 408981735 WNNBEIGXTVFRID-KWAQJPELSA-N 492.623 5.722 50 40 JKGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 409118894 OVJOMACWRQEHOT-JFLMPSFJSA-N 473.425 6.513 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1 409128584 PUWWWXGAEXQHAZ-DEOSSOPVSA-N 463.965 5.048 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409220156 UVRSSMDCKPMSTB-UDWIEESQSA-N 489.959 5.529 50 40 JKGB N#CC1=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C(CCC2)C1(C(F)(F)F)C(F)(F)F 721289 IOCDKLBXNRCPIQ-UHFFFAOYSA-N 472.458 5.952 50 40 JKGB C[C@H](CC[C@@H](C)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1 2381451 PDXNCYRUWZPRJX-CLJLJLNGSA-N 454.534 6.809 50 40 JKGB N#C/C(=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2cccs2)cs1 6072757 LNWNOHUKNGCSGE-ACCUITESSA-N 471.614 5.105 50 40 JKGB Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)c1 8590274 LXCGLXYXEGTQJC-XMHGGMMESA-N 464.550 6.086 50 40 JKGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 8780865 UMDYPTFZMHAFTN-UACRZKEVSA-N 465.937 6.060 50 40 JKGB COc1cc2c(cc1N/C=C(\C#N)c1nc(-c3ccc(Cl)cc3)cs1)oc1ccccc12 9008782 YWONQVWJUKIMCJ-DTQAZKPQSA-N 457.942 7.348 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1 9066267 UJHCCACSFHGGLC-BWAHOGKJSA-N 471.560 6.787 50 40 JKGB N#C/C(=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1ccc(Br)cc1 16158241 NVEZRSAKRULCPI-LDADJPATSA-N 472.342 6.055 50 40 JKGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1nc(-c2cccs2)c(NC(=O)c2cccs2)s1 26771315 FUJNALKGHHBWJC-GXDHUFHOSA-N 464.553 6.158 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSC3c4ccccc4-c4ccccc43)c2C)cc1C 28217162 OESQVAZCWHLQNZ-KBVAKVRCSA-N 479.649 6.664 50 40 JKGB N#CC(=C\c1cn(Cc2ccccc2[N+](=O)[O-])c2ccccc12)/C(O)=N/c1nc2ccccc2s1 41120721 WRXSJHACZASIEV-QGOAFFKASA-N 479.521 6.403 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(C)cc1 59116968 SZWFZLJLBDIHAI-XSFVSMFZSA-N 460.917 5.812 50 40 JKGB Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)C3=C(O)CCCC3=N2)c(C)c1 104091805 RTCVRPCNGLVKTC-RUZDIDTESA-N 471.626 6.562 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)cc1 107611989 DJTFWWJYVYYIPJ-ATVHPVEESA-N 479.895 5.051 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cccc(Br)c1 108231509 WCXPEPOENRPDOC-GXDHUFHOSA-N 472.136 6.017 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@@H]1[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]12 250821303 SHGQHJXEYIXIDA-KWBMWPQYSA-N 467.572 6.307 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c(C)n1-c1cccc(Cl)c1Cl 408592391 XYXKVBDTECMHJD-RWPZCVJISA-N 456.417 6.391 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)CC2=O)cc1C 408611233 VNSIAWJKZYDJCX-LJQANCHMSA-N 498.410 5.685 50 40 JKGB Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2ccc(Cl)cc2)c1)CCCC3 408732578 SAJSGRZMYXHFQB-VYYCAZPPSA-N 476.989 5.052 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1)Nc1ccc(Cl)cc1 408765385 LKKKMPIJZGBWGP-RPPGKUMJSA-N 476.747 5.428 50 40 JKGB N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1ccc(F)cc1 408772005 MICDGBQONKXQIL-SDXDJHTJSA-N 475.976 6.772 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 408791828 DCIBBOLBJGKXFW-YBFXNURJSA-N 485.798 7.334 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 408803777 AISOSRUPNGQESJ-XDHOZWIPSA-N 491.887 5.159 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OCc1ccc(F)cc1 408807039 NYJOIJRMOFQQFM-XDHOZWIPSA-N 480.923 6.011 50 40 JKGB Cc1cccc(COc2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2)c1 408809054 HMCMIVXBCBDMQR-WGARJPEWSA-N 463.331 5.847 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OCC 408811851 OKXGOVMQHRSKCU-WOJGMQOQSA-N 457.368 5.799 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OC(C)=O 408855573 GHBVQMJODIQIMT-MIXAMLLLSA-N 467.525 5.151 50 40 JKGB COc1c(Cl)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Cl 408857228 SWVMZXFHSJSAFY-MWLSYYOVSA-N 478.379 6.532 50 40 JKGB COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(OC)c1OC 408884369 WVDZIBIHIYQUMC-LQKURTRISA-N 470.610 5.096 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408890950 IVTVDXWLSLZCSS-XMHGGMMESA-N 497.894 6.166 50 40 JKGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc3c(cc2Cl)OCO3)cc(C(C)(C)C)c1O 408892543 CGGWXJFSRYPBGL-UVHMKAGCSA-N 458.986 5.452 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(=O)c1ccc(C)cc1 408898168 VJVHJURJARGLRL-FYJGNVAPSA-N 485.496 5.375 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OCc1ccccc1Cl 408900257 UNIFMZNZJULPEU-LDADJPATSA-N 497.776 6.236 50 40 JKGB Cc1cccc(NC(=O)Cn2cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c3ccccc32)c1 408960756 IPIJHQDRYUNFSI-CCVNUDIWSA-N 495.495 5.007 50 40 JKGB CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2C)cc1 408983686 NKYIRZCLDNMRDH-JWGURIENSA-N 461.009 6.448 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)c3nc4ccccc4o3)cc2Br)cc1 409069070 USORNAJJCPOUKU-SFQUDFHCSA-N 495.354 5.731 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 409172595 DHZSSLCSKYMJNG-MFKUBSTISA-N 455.352 5.499 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409192301 CFBMFYIUDMKMRO-UVHMKAGCSA-N 487.339 5.433 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 409214606 YOINSLLEBZJAEN-QQXSKIMKSA-N 474.520 6.517 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2)c(C)c1 409262313 GSAJDQORAINUEJ-ZHZULCJRSA-N 459.933 5.520 50 40 JKGB N#C/C(=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc2ccccc12 409316378 MNUAMHHYLKJSNU-RGEXLXHISA-N 460.411 7.623 50 40 JKGB O=C(CNc1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccccc2Cl)c1 409352794 DPNDQMFWVPMWIF-LGJNPRDNSA-N 472.770 5.244 50 40 JKGB Cc1ccc(C)n1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 409374906 BILRPPVQMHSPPN-YBFXNURJSA-N 463.368 6.092 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccccc1Cl 1294279 JFDCRWMLHFGWOS-QHCPKHFHSA-N 450.922 5.132 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1 2248281 SWUQGRKYJWQSEE-PTNGSMBKSA-N 471.366 6.091 50 40 JKGB O=C(CSc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)o1)Nc1ccc2ccccc2c1 3090494 VKSYMBKFMIMYGR-UVHMKAGCSA-N 498.391 6.234 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccn2c1C(=O)c1ccc(F)cc1 3256608 XGEDTPZXDHMALD-NDWLXSOOSA-N 451.501 5.402 50 40 JKGB CSc1ccc(/C=N/NC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1 3311124 LCYHIHKRYDGFNG-JVWAILMASA-N 487.606 5.035 50 40 JKGB CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3cc4ccccc4cc3O)ccc21 6135657 IUPDKJFCAYJBSB-FDAWAROLSA-N 478.552 5.808 50 40 JKGB O=C(NC1CCCCC1)NN(C(=O)NC1CCCCC1)c1nc(-c2ccc(F)cc2)cs1 8754449 ORQUXXXTWNBWID-UHFFFAOYSA-N 459.591 5.345 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(F)c3)N=C3CC(C)(C)CC(O)=C32)cc1 8837003 JHLFNOVZMQPVAN-XMMPIXPASA-N 491.588 6.112 50 40 JKGB CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)cc2)cc1 11852545 WXZJHQITWUWNHL-MOHJPFBDSA-N 454.526 5.768 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC2CCCCC2)cc1 27018573 KGJUJUCZVVFHLG-RELWKKBWSA-N 452.558 5.460 50 40 JKGB CCOc1ccccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1 33870506 UWEKXYSSTSQPQO-QRQIAZFYSA-N 457.530 5.429 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 34887771 OLVRNFSQUXLJBD-MUXKCCDJSA-N 466.368 6.327 50 40 JKGB CC/C(=N\NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc(O)cc1 55389439 FVOGLVMHDBEQCJ-OQKWZONESA-N 479.052 5.212 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1F 59117271 IZDMUYKATCTTGF-CPNJWEJPSA-N 450.897 6.002 50 40 JKGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1 59473480 FXYITKKMRAYAJC-HJHSVFMCSA-N 475.013 6.703 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H](C)Sc2nc(C)cc(C)n2)ccc1OCc1cccc(Cl)c1 59503038 IMKPWWFDQUFENK-BLNASNEQSA-N 499.036 5.355 50 40 JKGB Cc1c(C)c(CBr)c(CBr)c(CBr)c1CBr 68568839 RAZFSVIPQWOUQQ-UHFFFAOYSA-N 477.860 5.883 50 40 JKGB CC(=O)c1ccc(/N=N/c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 95593361 ODFAZBKZTCKCPR-XAHDOWKMSA-N 499.574 7.799 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Cl)c1OCC(=O)Nc1ccccc1 108017573 RRDAMYQFZSLXBR-WQRHYEAKSA-N 472.932 5.615 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc21 223492237 UBZPSDWWJDRBDX-UCQKPKSFSA-N 452.602 5.844 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 408744149 JIKNWXIDJUTNFE-MOSHPQCFSA-N 462.933 5.872 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 408791947 FPEYSJJUYWJHEJ-HZHRSRAPSA-N 472.504 6.297 50 40 JKGB COc1ccc2ccc(OC)c(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)c2c1 408792183 JDEYIQZBPUYNPN-CJLVFECKSA-N 464.521 5.982 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(C)c1 408795954 NRUQAXCGHDKBHY-UDWIEESQSA-N 481.379 6.825 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)cc1C 408801152 RQVZCQNRNOYBSX-RGVLZGJSSA-N 495.804 6.844 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(C)cc1 408882439 PCBLBQLXYPREGC-XDHOZWIPSA-N 495.362 6.465 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1 408889541 DXICIINENOOVHN-SFQUDFHCSA-N 467.308 5.767 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1c(Cl)cccc1Cl 408899549 QGEUUORXGAIMFQ-DHZHZOJOSA-N 452.124 7.106 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(OCC)c1OCc1ccccc1C#N 409050930 DPGVPUIVNJKYAF-KBVAKVRCSA-N 487.987 5.990 50 40 JKGB C=CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1OCC 409187309 OSLZTNZJIBAAHU-QFEZKATASA-N 487.350 5.321 50 40 JKGB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2ccc(Sc3nc4ccccc4[nH]3)o2)c1 409190581 SKRMSCFSSQRPJP-UHFFFAOYSA-N 489.988 6.132 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCc1cccc2ccccc12 409206740 WUYJXCUDOKEMNR-QIVTUHOFSA-N 463.537 5.575 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)[C@H]1CC(=O)N(c2ccccc2)C1 409257211 RJSBDKMFRZBUOL-FUSDPXDGSA-N 482.367 5.076 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1OC 409313004 AUKAKTPTSYMNGM-MBTHVWNTSA-N 470.928 5.619 50 40 JKGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 409363339 LGORICNITQFMSS-XODNFHPESA-N 451.357 5.559 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cn(Cc4cccc5ccccc45)c4ccccc34)[nH]c2c1 409390325 CLCKASDGYUTWDD-JCMHNJIXSA-N 454.533 6.792 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Cl)c1OCc1ccccc1 409391043 HEVLPFGCYUVZLA-ODLFYWEKSA-N 459.933 6.267 50 40 JKGB OB(O)c1c2ccccc2c(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc12 514287298 NQOSAYPSOKFYBW-UHFFFAOYSA-N 450.346 6.674 50 40 JKGB in-vitro CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)sc(C(=O)OC)c1C 1778892 BOUXSOLQZWKZKW-UVTDQMKNSA-N 498.542 5.028 50 40 JKGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccccc1Cl 1828525 KLQDJNOPTMSRDW-ZVBGSRNCSA-N 469.444 5.380 50 40 JKGB O=C(NN=C(c1ccccc1)c1ccccc1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 2288127 CMKKDXBQPJHPLX-UHFFFAOYSA-N 475.375 5.798 50 40 JKGB O=C(NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)Nc1ccc(Cl)cc1 2763416 MRZHENQHJRGQGM-UHFFFAOYSA-N 451.313 5.675 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1 9187145 JNRWAWONNMKLML-XDHOZWIPSA-N 474.358 6.367 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccccc1OCc1ccccc1Cl 9282528 QEFVTFLGDTUZBH-QFIPXVFZSA-N 454.917 5.527 50 40 JKGB CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(CSc4ccc(C)cc4)c32)cc1OC 9370645 QJURNEIRNSFULV-QFIPXVFZSA-N 462.575 5.026 50 40 JKGB N#C/C(=C\c1c(Oc2ccccc2Cl)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 13810648 KQTQRGYRTIRLQM-GHRIWEEISA-N 498.347 5.132 50 40 JKGB Cc1ccc(C(C)C)c(OCCn2cc(/C=C(\C#N)C(=O)NC3CCCCC3)c3ccccc32)c1 15931715 FMQMKPYFMNTYFK-PTGBLXJZSA-N 469.629 6.508 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)NCc1ccccc1 16479925 ZCQBLOLJWTUOLT-NDENLUEZSA-N 465.322 5.391 50 40 JKGB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(C)cc2)N1 20170508 VZAZJAHEYOEHNZ-VWLOTQADSA-N 487.556 5.678 50 40 JKGB COc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Br)c1OCc1ccccc1Cl 59536743 FOVSAXAGLDVONN-DHRITJCHSA-N 488.769 5.846 50 40 JKGB COc1cc(OC)c(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br 83259541 OFINWMFJFIPQFO-DICXZTSXSA-N 490.357 5.445 50 40 JKGB O=C(N/N=C/[C@@H]1C[C@H]2C[C@@H]1[C@H]1[C@@H]3C[C@@H]([C@H]21)[C@@]1(F)C(F)(F)C(F)(F)[C@]31F)c1ccc(Cl)cc1 104813190 MQLAXXGENLFXSE-TWAQXGCZSA-N 476.848 5.295 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1C 408551451 CUIOUOYYXVHLRR-UNOMPAQXSA-N 494.378 6.173 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccc(Cl)cc1 408554335 RSCFTEHKEJXSTG-CXUHLZMHSA-N 492.189 7.382 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408578955 BZZOVHSFPVSUOW-YBFXNURJSA-N 469.324 6.943 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc(F)cc1 408580719 RFYRYJXUEJLIPJ-LZYBPNLTSA-N 462.735 7.438 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 408583519 VKPAOZFTWBWLHV-GIJQJNRQSA-N 474.771 7.307 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccn2)cc(Br)c1OCc1cccc2ccccc12 408722209 FFNGQHSMOMUUCC-RWPZCVJISA-N 490.357 5.349 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc2-c2ccc3ccccc3c2)c1 408726728 TULDHMUZNFAWCQ-OCSSWDANSA-N 474.520 5.494 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc2ccccc2c1 408747096 ZKEFUODGTBMUGK-IWIPYMOSSA-N 482.967 7.017 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 408773604 VOGIJQYVIULUIR-PDGQHHTCSA-N 467.352 6.435 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)c(C)c1 408787725 FJRDPRSTKMPCGB-RGVLZGJSSA-N 479.349 6.330 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1cccc2ccccc12 408792387 BDRPQTGIHDEZBA-HYARGMPZSA-N 498.966 6.722 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(Br)cc1F 408808408 GKAMWUNQTSBHDR-YBEGLDIGSA-N 456.290 5.681 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(Br)c2)cc1 408817438 UAZROGLAZYIEGP-LPYMAVHISA-N 475.386 6.499 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(OCc2ccccc2Cl)c1 408884279 WNYCVLUQNNFUBW-WOJGMQOQSA-N 453.325 6.127 50 40 JKGB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)NN(c2ccccc2)c2ccccc2)c2ccccc2)cc1 409002466 NPVYJKMZLISPSF-HHHXNRCGSA-N 485.609 5.274 50 40 JKGB COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)ccc1OCc1ccc(Cl)cc1 409016892 LHNRBHUBCKWATD-FDVSRXAVSA-N 475.932 5.005 50 40 JKGB N#C/C(=C\c1cc(Br)cc(Br)c1OCc1cccc(F)c1)c1ccccc1 409047204 NSEONDZTLYBRSW-VCHYOVAHSA-N 487.166 6.994 50 40 JKGB COc1ccc(/C(C)=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1Br 409130055 TXFMCYFLCABRLQ-SSDVNMTOSA-N 476.223 5.538 50 40 JKGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(Br)cc2)cc1 409227774 WPIUTWDLSGAWEV-MXAYSNPKSA-N 487.737 5.094 50 40 JKGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)cc2Br)cc1 409243069 YKEUCDOSIMEEKC-CSMVZQPBSA-N 475.386 6.121 50 40 JKGB CC[C@@H](C)Oc1c(Br)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC 409244953 LEUWXARXKSZVIP-DEKPZMAWSA-N 457.368 5.419 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)c1 409269397 ISEHEHCIVQSPRB-XDHOZWIPSA-N 475.932 5.226 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1cccc2ccccc12 409312880 OBPFMARWVJTATM-STZFKDTASA-N 474.785 7.899 50 40 JKGB COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1OC 409318796 ZQIVRYMEBRVDJR-PPDIBHTLSA-N 493.774 6.007 50 40 JKGB C=C(/C(C#N)=C/c1ccccc1Cl)N(Cc1ccc(Cl)cc1Cl)c1ccccc1N 409331913 FCFIZRVUGANEEX-XDHOZWIPSA-N 454.788 7.356 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(I)c1)c1cccc(F)c1 409393780 SCHQYPVMYONPQK-ZDLGFXPLSA-N 489.715 6.727 50 40 JKGB CCCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCC)cc3)nc3ccccc23)cc1 2109263 HAKJTQQXROPURA-TWKHWXDSSA-N 467.569 6.243 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)cc3)n2C2CCCCC2)cc1 2232784 ZSAUQOAVQKKXMW-CVKSISIWSA-N 468.026 5.655 50 40 JKGB CCCCCc1ccc(OCC(=O)N/N=C/c2ccccc2OCc2cccc(OC)c2)cc1 8386374 NQCYGZVDQBFRDI-VUTHCHCSSA-N 460.574 5.536 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccc2ccccc2c1 9008844 NEBPTJPCTXYURS-OFWBYEQRSA-N 491.620 6.028 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)cc3Br)o2)cc1 9311562 JVVCGDYGWALHEP-SSZFMOIBSA-N 451.320 5.962 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1OCc1ccc(C(C)(C)C)cc1 11990324 LWNFOOLSZBOEES-QNGOZBTKSA-N 454.595 7.246 50 40 JKGB CCCCc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 12273781 PZVDMOVVQFBYFB-SJCFVWOQSA-N 481.621 6.094 50 40 JKGB CCCCc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 12524978 QCDHGIAERLBZNJ-RCCKNPSSSA-N 466.412 7.289 50 40 JKGB Cc1cc(C)nc(SCc2ccc(C(=O)NN=C3CCCCCCCCCCC3)cc2)n1 12649699 HHWIUIYTKYOFFM-UHFFFAOYSA-N 452.668 6.776 50 40 JKGB N#C/C(=C\Nc1ccccc1Cl)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 13774543 KFSZJAFMSDMZJN-JLHYYAGUSA-N 450.863 5.455 50 40 JKGB N#CC1=C(N)OC2=C([C@H]1c1ccc(Cl)cc1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12 20558426 UFKMFICEFZQZIM-QFIPXVFZSA-N 493.947 5.006 50 40 JKGB CCCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(SC)cc2)/C(=C\c2ccc(SC)cc2)C1 20813636 RMDXCEMHNIWKNP-OKPLFKEKSA-N 475.683 6.001 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccc(Cl)cc1 34735539 PKTJIFDYZYPBDF-MUFRIFMGSA-N 474.944 5.853 50 40 JKGB CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)cc1 38682397 AUAAFVCDCKVNGQ-SANMLTNESA-N 486.593 6.025 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)c2ccccc2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 59194000 RBRNQNGCPCWYAN-HAVVHWLPSA-N 453.538 6.392 50 40 JKGB O=C(CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31)N/N=C/C=C/c1ccccc1 61992927 LOCLHXKYHXMWRG-UPQAVPQOSA-N 480.656 6.197 50 40 JKGB biogenic CS(C)(=O)=N[P+](/C(=N/Nc1ccccc1)c1ccc(F)cc1)(c1ccccc1)c1ccccc1 97970773 SUVVKALVDXALEY-KDJFERLWSA-N 490.564 5.911 50 40 JKGB CCCCCCCCOc1ccc(/C=C(\C#N)c2nc(O)c3c4c(sc3n2)CCCC4)cc1 97981613 WLQMYYIJAHZNDU-LVZFUZTISA-N 461.631 7.079 50 40 JKGB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1ccc(N(CCCl)CCCl)cc1 98003637 HPJXYBXVEVLPDW-VWLOTQADSA-N 494.466 6.719 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@@H]1[C@@H](P(=O)(c2ccccc2)c2ccccc2)[C@H]2C=C[C@H]1C2 101023768 FXCYJNJQLLGGGH-FRGOEROOSA-N 494.511 5.958 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1Cl 107893587 OGWZESAMQONQMC-UXHLAJHPSA-N 471.988 5.442 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccc(C)cc1 108990237 FYFIIDYYOAVUQI-STBIYBPSSA-N 454.526 5.508 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1O 109556200 IZHZQPFAUZGKBV-DICXZTSXSA-N 490.357 5.533 50 40 JKGB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](Br)CC[C@]4(C)[C@@H]3CC[C@@]12C 257348490 GCLRJMLUSNRQMO-FKKBDONISA-N 451.577 8.871 50 40 JKGB CCCCCCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 408538540 OOKKCKQPQYLRGJ-XMHGGMMESA-N 478.942 7.644 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(C(=O)O)cc1 408543781 SYGUZOFMTCSWPD-ZROIWOOFSA-N 460.736 6.609 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Br)cc1 408588966 XMXXEIIZGJEXJN-ZDLGFXPLSA-N 489.196 7.408 50 40 JKGB N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1cccc(Br)c1 408763380 NLKDNIOJPWCSKE-UYRXBGFRSA-N 456.343 5.998 50 40 JKGB N#C/C(=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)Nc1ccc(Br)cc1 408792408 BHIWTLYZKRITIL-QGOAFFKASA-N 490.788 6.651 50 40 JKGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)cc1 408810371 JNTASJCDKKKZIP-LYEVVCBYSA-N 453.380 5.630 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1ccc(F)cc1 408813756 VANXGQJFRBIKEY-XDHOZWIPSA-N 450.897 5.921 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCc1ccc(C)cc1 408815219 QRTNAIIAQVNMLZ-JLPGSUDCSA-N 470.544 6.386 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1C 408819740 RPDDGJNJAOFMDM-BKUYFWCQSA-N 454.599 6.069 50 40 JKGB CCOC(=O)[C@H]1[C](n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccco3)c2C)SC2=C1CCCC2 408831804 WSQYSNFYMONTDR-MKRMIXIUSA-N 464.567 5.335 50 40 JKGB CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Cl 408857591 OOOSFFXSRMVYEG-AFPJDJCSSA-N 456.123 5.665 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(Br)c2)c(F)c1 408966945 ODTFHPNBKQAPST-KKMKTNMSSA-N 486.728 5.456 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)c(Cl)c1 409054867 WCNXCGDAIZOUJT-KVSWJAHQSA-N 472.759 6.170 50 40 JKGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 409133914 UYAWEBMSDSKEHT-AUEPDCJTSA-N 464.330 5.545 50 40 JKGB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N/N=C\c1cn(C(C)C)c2ccccc12 409162352 DCHIPIUESDOTNT-GUKGJQHYSA-N 487.431 5.824 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1cccc(C)c1C 409268014 XSUMXOLRKVTSKL-HYARGMPZSA-N 471.513 5.692 50 40 JKGB COC(=O)COc1cc(Br)c(/C=C(/C#N)c2cccc3ccccc23)cc1OC 409316470 QMUYJKXSMXGJJG-YVLHZVERSA-N 452.304 5.227 50 40 JKGB N#CC1=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)NC(=O)C[C@H]1c1ccc(Cl)cc1 409326145 HHTYBOXZJAPYJA-INIZCTEOSA-N 466.777 5.357 50 40 JKGB CCCC(=O)NNc1nc2c(c(=O)n1[C@@H]1CCOC(C)(C)C1)C1(CCCCC1)Cc1ccccc1-2 6471574 CLMHBXRDONNFSQ-HXUWFJFHSA-N 478.637 5.042 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4Cl)c32)ccc1OC1CCCC1 8382653 GEDXVNOXCUJLOC-NRFANRHFSA-N 462.937 5.278 50 40 JKGB Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1 13776448 MCVBBAVZMHZRGZ-XSFVSMFZSA-N 491.956 5.095 50 40 JKGB COc1ccc(NS(=O)(=O)c2cccc(C(=O)NN=C3CCCCCCCCCCC3)c2)cc1 15912348 HNNAKKDHAZGRQF-UHFFFAOYSA-N 485.650 5.887 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccc(C)cc1 20064721 ZUUMMPZZTNMUSO-RUZDIDTESA-N 473.598 5.101 50 40 JKGB Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 28213569 FJXGJZKZDOOFHN-MZJWZYIUSA-N 482.005 5.049 50 40 JKGB CCOc1cc(/C=N\NC(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc2ccccc2c1 30817606 WUGWATQRWJHHHU-YKQZZPSBSA-N 467.569 6.590 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 33530653 UFMROBLMJISEOH-NVMNQCDNSA-N 498.495 5.379 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 33556189 FKOPXLQGGMBBNA-MUFRIFMGSA-N 485.609 5.579 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1cccc(C(=O)O)c1 96476362 YPLCECBTKVYMAR-ZDLGFXPLSA-N 464.319 5.101 50 40 JKGB C/C(=N\NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1cc(Cl)cc(Cl)c1O 102980745 BOODUSAEEBYNGU-XODNFHPESA-N 451.313 5.463 50 40 JKGB N#Cc1ccccc1COc1ccccc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 108098946 KQGBRSQMQGBNBF-VULFUBBASA-N 456.483 5.024 50 40 JKGB CCN1c2cc(C)c(/C=N\NC(=O)COc3cccc(Br)c3)cc2[C@H](C)CC1(C)C 208316044 CWGLGZGCIHARPU-IOFNULOHSA-N 472.427 5.399 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 408529761 JXRAJCQROXYLJN-MZJWZYIUSA-N 473.356 5.500 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1ccc2ccccc2c1 408551298 MYIXMGXOPQUNRH-UCQKPKSFSA-N 458.330 7.385 50 40 JKGB CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OCC 408553810 PRCCBECPQKNESA-OQLLNIDSSA-N 455.967 5.495 50 40 JKGB O=C(NNc1cccc(OCc2ccc(Cl)c(Cl)c2)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408613185 ZQBYUFOKXCWVCL-INIZCTEOSA-N 488.346 5.208 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1cccc2ccccc12 408759053 XAWCGCORXPZOSZ-LTGZKZEYSA-N 497.348 6.367 50 40 JKGB COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1Br 408771133 DHKHRDBSJKEPSI-AUWJEWJLSA-N 494.183 5.553 50 40 JKGB COc1c(Br)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 408797743 SOPAMKMOGKVKHW-WOJGMQOQSA-N 497.776 6.236 50 40 JKGB COc1cc(/C=N/NC(=O)OC(C)(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408807139 CEBCSVRTIFQOSU-YSURURNPSA-N 459.757 6.093 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(OCc2ccc([N+](=O)[O-])cc2)c1 408812498 WSKNGGPSVLVVJK-YBFXNURJSA-N 477.904 5.690 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 408812751 XFUYKYXYXMTNFW-KGENOOAVSA-N 470.931 7.065 50 40 JKGB N#C/C(=C\c1c(OCc2cccc(Cl)c2)ccc2ccccc12)C(=O)Nc1ccccc1Cl 408817600 WIAOVOHEYVERFS-HMMYKYKNSA-N 473.359 7.271 50 40 JKGB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)NNC(=O)Cc4ccccc4)cc3)sc2c1 408849008 XQILQBFGMPXSHB-UHFFFAOYSA-N 477.973 5.119 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1 408851711 MZCFYSUANOCSFZ-CIAFOILYSA-N 478.951 6.619 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc2c(c1)OCO2 408861664 FGQOYXIWDSZRCB-GIJQJNRQSA-N 462.889 5.202 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1OCc1ccccc1 408881411 LDTJVRUJFIAUOA-XMHGGMMESA-N 463.331 5.582 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2F)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 408882804 SHESYIKSSMKTLZ-XSFVSMFZSA-N 490.456 7.122 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 408882924 PNPBQTZUDQXOMP-UDWIEESQSA-N 451.353 6.680 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1cccc2ccccc12 408886109 IBWLDNMQRDEWML-LFVJCYFKSA-N 492.531 6.061 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccc(C)cc1 408886687 LHGQHDXEBMZDFY-FYJGNVAPSA-N 487.512 5.435 50 40 JKGB C=CCOc1c(Cl)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1OC 408903845 AFBRIYWDPREUAA-JJFYIABZSA-N 452.736 5.140 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccc(C)cc1 408967935 SVPJVWDGXAZZAD-XODNFHPESA-N 451.885 5.011 50 40 JKGB Cc1c(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)sc2ncnc(N)c12 408972889 HKNMMAGIBRRKEK-HIUVJMHLSA-N 486.384 5.232 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccc(F)cc1 408992792 CAPYTZGTNCRDJF-UYRXBGFRSA-N 455.270 6.073 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OCC)c1OCc1ccccc1 409068064 HFJPNLGWNYFXOD-KOEQRZSOSA-N 496.563 5.725 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OCc1cccc(F)c1 409074781 RMOUTRWZRXWBRN-FYJGNVAPSA-N 476.935 6.341 50 40 JKGB COc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)ccc1OCc1ccccc1 409124579 BQTDZXMAVSVQIX-UVHMKAGCSA-N 489.424 5.965 50 40 JKGB COc1cccc(/C=C(/C#N)c2ccc(Br)cc2)c1OCc1ccc(C(=O)O)cc1 409186923 JPTKEUUPFZALAZ-MOSHPQCFSA-N 464.315 5.799 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Br)cc1 409190093 WFJTTXQHSXAGJB-MZJWZYIUSA-N 480.793 6.178 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1cccc(C)c1C 409254673 FBJFZKXFXPSJHZ-HAHDFKILSA-N 483.568 5.574 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)cc1C 409261962 GIXGBMYXBJLXIA-XKZIYDEJSA-N 487.987 6.137 50 40 JKGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 409264384 FKYVYCHDXSRUMZ-WCMJOSRZSA-N 492.450 6.987 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1OCC 409322945 YUGMGINBOZKJQF-RHANQZHGSA-N 480.992 6.179 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccccc1 409360970 GFZULNARSXZIHI-JMIUGGIZSA-N 478.342 6.220 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1cccc(C)c1 409389321 ATICSKXZPSLVPZ-JMIUGGIZSA-N 499.323 6.391 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccccc1Cl 649463 LLOHOXXLEFDRRX-QHCPKHFHSA-N 464.949 5.378 50 40 JKGB COc1c(Cl)cc(Cl)cc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(CC(C)C)cc3)c21 985874 QGOHOTWEZPZILS-IBGZPJMESA-N 469.372 5.809 50 40 JKGB O=C(c1ccccc1[N+](=O)[O-])[C@@H](Br)[C@H](Br)c1ccc(Cl)c(Cl)c1 1745341 WRNZXLQWFIZGCV-KGLIPLIRSA-N 481.955 5.984 50 40 JKGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1cccc(F)c1 1815042 FXIGDGAMMBALRS-WYMPLXKRSA-N 468.604 5.365 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 2887321 ZCJRDQVJMRXPHO-PWGZALKNSA-N 472.928 5.191 50 40 JKGB CCOc1ccc(OC)cc1/C=N/NC(=O)[C@H](CC)Oc1ccc2ccccc2c1Br 3175156 NHHQENMBMZWXLJ-WNFNFYEPSA-N 485.378 5.317 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1C 4047950 UNKZJEDETHJSMV-NDZAJKAJSA-N 451.570 5.097 50 40 JKGB CC(C)CCC[C@@H](C)[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 4428295 DHZKAQAKUFROMZ-RRFIWRICSA-N 465.560 8.050 50 40 JKGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC 6245492 DZOMVCZRCRBUCE-STBIYBPSSA-N 498.608 6.199 50 40 JKGB N#CC1=C(N)OC2=C(CCC/C2=C\c2ccccc2Br)[C@H]1c1ccccc1Br 8783208 SYQZYJOPPGHJHC-FFXXTYGZSA-N 498.218 6.541 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)CC(=O)N2)c1 9089567 RDYDBGPOLQVWMS-XMMPIXPASA-N 483.593 5.285 50 40 JKGB C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccc2ccccc2c1 13618029 CSAARLBLENPYRK-DXJNIWACSA-N 499.039 6.524 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1cccc([N+](=O)[O-])c1 16955618 DYXDRZNUKZQWJR-NLRVBDNBSA-N 492.605 5.299 50 40 JKGB C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1)c1ccccc1 28214876 VYSBIJPIRXITFD-WKTMJKCCSA-N 496.032 5.229 50 40 JKGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c1C 28217154 BQAMYTOEISJYHE-OCSSWDANSA-N 465.622 6.356 50 40 JKGB N#C/C(=C\c1ccccc1OCCOc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 33619019 OYYRIOPBNXPGSW-XDJHFCHBSA-N 465.303 5.879 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OCC 35167462 RCHJGSKZWKSKLZ-OQLLNIDSSA-N 455.967 5.495 50 40 JKGB CCOc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)ccc1OCc1ccccc1 41120601 SXOCTGWZTDZZTJ-XSFVSMFZSA-N 455.539 6.469 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccs2)ccc1OCc1ccc(Br)cc1 59197683 IMGAARXPUMEKQI-YDZHTSKRSA-N 459.365 5.252 50 40 JKGB COc1ccc(CSCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1 59473389 ZRPPKDMJTLUKMF-STBIYBPSSA-N 470.594 5.811 50 40 JKGB CC(C)C(/C=C\c1ccc(Cl)cc1)=N/NC(=O)N/N=C(/C=C\c1ccc(Cl)cc1)C(C)C 104304519 OGFXKULYNBRQQS-WCQKAZRQSA-N 471.432 7.043 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 107732817 DIDILHGGQAYABC-ZMOGYAJESA-N 476.470 5.061 50 40 JKGB FC(F)(F)C[C@H](I)CC[C@@H](I)CC(F)(F)F 169795265 ITLCONSMLXROER-PHDIDXHHSA-N 473.964 5.279 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c(C)n1-c1cccc(Cl)c1Cl 408531464 ODJYVJVRKNMPGC-VPUKRXIYSA-N 483.321 5.982 50 40 JKGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 408569251 ZTTHNBCJSOHDOC-BRJLIKDPSA-N 474.300 5.253 50 40 JKGB C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(Br)cc1 408578904 BQTABETZLLLJOH-RIYZIHGNSA-N 498.012 6.603 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 408761412 JXWXKGLQANKOKS-BOPFTXTBSA-N 487.364 5.615 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc2ccccc2c1 408765265 ORVQLPVBCNNJRR-OVVQPSECSA-N 454.529 7.118 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CCSc3ccc(Cl)cc3)c3ccccc23)cc1C 408785805 ZMIZPPIKMASGNJ-PGMHBOJBSA-N 486.040 7.250 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccc(O)cc1 408793765 GKYHLKXPQVJNBF-YBFXNURJSA-N 474.314 5.151 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)cc1 408795082 KBEBKYPZQLQQSB-RCCKNPSSSA-N 460.917 5.641 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1Cl 408814023 GUPGQKBWZPNCCS-NTCAYCPXSA-N 484.339 6.361 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1Cc1ccccc1F 408882594 RNAGKIPMYYDPPB-YBFXNURJSA-N 483.370 6.976 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1cccc(Cl)c1 408891380 PRAPIMHFHFNZMV-MZJWZYIUSA-N 495.988 5.701 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccccc2C(F)(F)F)o1)c1cc(Br)ccc1O 409213944 VMDHODWAJRKXFA-VROXFSQNSA-N 453.214 5.197 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1 409233289 UPXJYPXMLFCHRQ-PPDIBHTLSA-N 475.303 5.103 50 40 JKGB Cc1cccc(COc2ccc(/C=N\NC(=O)Cc3ccc(F)cc3)cc2Br)c1 409242304 QKOGBEMGFLXQJB-WGARJPEWSA-N 455.327 5.168 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccc(OCc4ccccc4Cl)c3)CC2=O)cc1C 409252333 RWOOKLJHOQVJII-HRMYGOSUSA-N 475.976 5.039 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)c1 409257672 RTCLPRVNCZMPFH-XDHOZWIPSA-N 477.923 5.659 50 40 JKGB COc1ccc(/C=N/NC(=O)COc2cc(C(C)C)ccc2C)cc1CSc1ccccn1 2096952 FJMAGTHKARQRPJ-RWPZCVJISA-N 463.603 5.343 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)cc1 2231567 GAUPBPYOUBPREB-RCCKNPSSSA-N 464.525 5.266 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc(Br)c1OCC 3672642 UMQGXHFZCZUINX-OAQYLSRUSA-N 465.347 5.618 50 40 JKGB COc1ccc(Br)cc1[C@@H]1CC(=O)N2CN(c3cccc(Cl)c3)CSC2=C1C#N 9693463 BJXCIQBOLYBELX-INIZCTEOSA-N 490.810 5.331 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1 11853082 IZEMNBYHRJQZGW-FYJGNVAPSA-N 458.970 7.115 50 40 JKGB Cc1[nH]c2ccc(C(=O)OCC(=O)N(/N=C/c3ccccc3)c3cccc(C(F)(F)F)c3)cc2c1C 13098380 KOGJDUYDMSUWOH-IBBHUPRXSA-N 493.485 6.028 50 40 JKGB CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1 16735725 CILIYRQNUPQSCK-KOEQRZSOSA-N 471.607 5.990 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccccc2Br)c(C)n1-c1ccc(Cl)cc1 28216102 MDUOOBOQONXQCB-BRJLIKDPSA-N 490.854 5.894 50 40 JKGB COC(=O)/C(=C(/F)S/C(C#N)=C1\NC2(CCCCC2)Cc2cc(C)c(C)cc21)C(F)(F)F 31911798 KJEFTFOQOHTHAO-YAFCTCPESA-N 468.516 5.994 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1 33480304 UQVZFCBRECMOOJ-ATVHPVEESA-N 479.895 5.051 50 40 JKGB COc1cccc(C(=O)NN(C(=O)c2cc(Cl)cc(Br)c2)C(C)(C)C)c1C 36403980 ZNXGJIUPRDPGSY-UHFFFAOYSA-N 453.764 5.005 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1 59117541 JYNNZZKESOTTIY-GZTJUZNOSA-N 467.308 5.767 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1OCc1ccc(Br)cc1 59117631 WGSQDTGZSIHSRP-XSFVSMFZSA-N 477.358 5.891 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 59445167 RNPMVDNAGXIFJS-OGLMXYFKSA-N 473.370 5.874 50 40 JKGB C/C(=N\NC(=O)c1ccc(CSCc2ccccc2)cc1)c1ccc(Br)cc1 59473685 GDKFRBUGCNVWKJ-KOEQRZSOSA-N 453.405 6.037 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(I)c1OCC 59474988 OPYYFXGNSSITGT-YVLHZVERSA-N 490.341 5.251 50 40 JKGB Cc1ccc(N2C(c3ccc(Cl)cc3)=CS/C2=C(/C#N)c2nc3ccccc3s2)cc1 96838571 AZDBXGPIXGEOHS-QQTULTPQSA-N 458.011 7.702 50 40 JKGB CCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F 103528471 SIVWJGNPLZALFN-OAHLLOKOSA-N 456.321 8.079 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(Br)c1OCc1ccccc1Cl 408565839 BBZRCFPRFZTCOJ-JMIUGGIZSA-N 479.761 6.626 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccccc1F 408583687 WPUCVMVNUSRHJG-RGVLZGJSSA-N 467.924 6.538 50 40 JKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 408598806 JXKNFACCXWGYRV-RWPZCVJISA-N 499.836 6.743 50 40 JKGB COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1 408599337 SRARGDWDELSFIS-XDHOZWIPSA-N 458.499 5.715 50 40 JKGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1 408607413 CTQAIHSTLXUBLS-MZJWZYIUSA-N 486.355 5.060 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c(Cl)c1 408740180 JECBKAQZFOZKOI-WKIKZPBSSA-N 497.338 6.333 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(Cl)cc1 408746815 VZPLLZUBKWLNQK-BOPFTXTBSA-N 457.744 6.771 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C(F)(F)F)cc2)ccc1OCc1ccc(C(=O)O)cc1 408758962 VOGRVDBBJLGXDP-UDWIEESQSA-N 453.416 6.055 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408796511 OZPUJHVONWIOLC-YBFXNURJSA-N 467.352 6.435 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1 408799476 ZMGPRCTYXRXVTM-LICLKQGHSA-N 485.740 6.366 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(O)c(Br)c2)cc1 408844571 KHDMLMKAAMHSIC-YUMHPJSZSA-N 474.358 5.685 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 408879095 FKUJXSJWRQSNJP-GZTJUZNOSA-N 467.308 5.767 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2F)cc1 408883354 PLSDQEUNCLGUOB-KGENOOAVSA-N 463.350 6.287 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OCc2ccccc2F)c1 408888599 XQZHORMNEJJKNU-LICLKQGHSA-N 471.315 6.266 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc3ccccc3c2)cc1 408926722 XSAGXTXYHNOOOW-NDZAJKAJSA-N 494.572 5.833 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 409214050 XHOOQDZTFUYQBM-LUOAPIJWSA-N 497.806 6.607 50 40 JKGB O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1cccc2ccccc12)c1ccccc1Cl 409222871 FGBJMCOCRHQDHY-MBTHVWNTSA-N 463.320 6.130 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccccc1 409242368 RJCIOEXPSUZSCN-HLILLCKBSA-N 450.513 6.342 50 40 JKGB Cc1cccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2)c1C 409257256 RTSFLUVXDYZFJD-MOSHPQCFSA-N 459.933 5.520 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(C)c1 409260389 PRJIHSUEZVNWPP-XDHOZWIPSA-N 494.378 6.173 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 409391910 KGENYGUHDQGQNL-UUYOSTAYSA-N 482.382 7.903 50 40 JKGB FC(F)C(F)(F)C(F)(F)C(F)(F)SSC(F)(F)C(F)(F)C(F)(F)C(F)F 1565682263 IWOQYBNBOXFATQ-UHFFFAOYSA-N 466.206 6.625 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OC(=O)c1ccccc1 1439517 NTAIOWGAKKVTHM-HZHRSRAPSA-N 454.526 5.775 50 40 JKGB COc1cccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c1 1774834 RAFQQFSCUAZEJB-ZMOGYAJESA-N 480.640 5.235 50 40 JKGB N#CC1=C(N)N(c2ccccc2Cl)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl 2089940 CHCNEJDRDTUHON-QYBDOPJKSA-N 486.402 6.692 50 40 JKGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C)cc3)C3=C(CCCC3=O)N2)cc1 2210516 OHHCWOJARHTQIG-RUZDIDTESA-N 457.599 5.358 50 40 JKGB CCOc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2266206 NHJBNVAVFIGHFG-FYAMCCBRSA-N 469.566 5.150 50 40 JKGB Cc1ccccc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1 9201753 KTEITRMBODIMRO-DHRITJCHSA-N 457.755 5.754 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)o2)c(Br)c1 15018554 REOFHAVMSKBUPD-MZJWZYIUSA-N 473.326 6.681 50 40 JKGB CCCC[C@H](Br)C(=O)Nc1nc2c(Br)cc(Br)cc2s1 20132906 RRCYUJKXWLTFIX-QMMMGPOBSA-N 485.039 5.714 50 40 JKGB CC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 20347721 IYQVPSKTCIZLJM-QHCPKHFHSA-N 451.979 5.305 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1C 27018805 NVWHBTOIXAOODL-CJLVFECKSA-N 466.541 5.453 50 40 JKGB Cc1cc(OCC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc(C)c1Cl 30937417 ZVABXHAJTHAYJW-KIBLKLHPSA-N 451.737 6.053 50 40 JKGB N#C/C(=C/c1cccc(Cl)c1)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1 32704164 YRHYMCWUVINQMH-WJDWOHSUSA-N 482.417 7.495 50 40 JKGB CC1(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)SCCS1 35339410 TVELHIZTCOOUSI-FSJBWODESA-N 455.432 5.609 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)cc1 59335543 HNHNDPLJYMNNSE-ZSOIEALJSA-N 486.709 6.125 50 40 JKGB Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(O)CCCC3=N2)c(C)c1 95483822 BZLGAAIJEJFEFY-DEOSSOPVSA-N 492.044 6.907 50 40 JKGB CC(=O)N/N=C1\CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1(C)C 118932433 RCFQMFZAFWOVMT-HONOXQLJSA-N 468.770 8.156 50 40 JKGB CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(Cl)cc1Cl 408580783 RRQNBZNQFVGGBL-WUXMJOGZSA-N 490.022 7.371 50 40 JKGB O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 408724072 DQEFUTVSKQWQGD-AJBULDERSA-N 460.512 6.109 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 408734148 DNFLDIHBUFXLPX-DEDYPNTBSA-N 491.931 6.080 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)cc1 408787643 DAIMRYALKTYASL-SRZZPIQSSA-N 476.363 6.552 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OC)cc1 408792283 AKXJNRWGOHJQGR-RIYZIHGNSA-N 464.157 5.328 50 40 JKGB CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC 408792894 MDADUHAORBVWLY-NTUHNPAUSA-N 484.177 6.099 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 408872719 OWOCEKZYLVXOPG-PXLXIMEGSA-N 486.493 7.292 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(Cl)c2)c1 408891502 RNFOCBVJAZWDPE-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408893327 DYBAOOHBPADKDJ-YRNVUSSQSA-N 473.228 5.615 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1cccc(C(=O)O)c1 408953465 WKUXTZPYJLOXLD-WKIKZPBSSA-N 478.888 5.136 50 40 JKGB CSc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 408969422 NJBOWQCEUHBKPN-DDKPYSGASA-N 496.460 5.164 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 408985962 YXNMVIVOWHBJAK-UYRXBGFRSA-N 470.916 6.105 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(Br)cc1F 409018965 ZTPLUHADUXKMIR-QDTIIGTASA-N 495.352 5.073 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OCC)c1OCc1cccc2ccccc12 409071509 PEANAPZYZFSUBC-NLRVBDNBSA-N 486.571 7.751 50 40 JKGB CCOC(=O)/C(C#N)=C\c1cc(OC)c(OCc2cccc3ccccc23)cc1Br 409090521 NQTXGSFEJPDHJR-ODLFYWEKSA-N 466.331 5.660 50 40 JKGB COCCN1C(N)=C(C#N)[C@@H](c2ccccc2OCc2ccc(Cl)cc2)C2=C1CC(C)(C)CC2=O 409130011 SXXCSRFKQOESRU-RUZDIDTESA-N 492.019 5.302 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc(C)c1 409203226 WRIRRQOXDCVHMS-MTJSOVHGSA-N 493.357 6.708 50 40 JKGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 409219950 WUTLMISUFVCVBR-NVJOKUIPSA-N 481.257 5.995 50 40 JKGB N#C/C(=C/c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 409250222 QBUDUTFUWGYJFC-NDENLUEZSA-N 470.454 6.126 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2)c1C 409265716 OCOWKVHNFWTKBI-HAHDFKILSA-N 453.542 5.483 50 40 JKGB O=C(NN(Cn1c(=S)sc2ccccc21)Cn1c(=S)sc2ccccc21)c1ccncc1 1573689 FKYOAWYFVZWIKO-UHFFFAOYSA-N 495.680 5.835 50 40 JKGB CCCCCCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(OC)cc2)cs1 2302665 XOODNIGOIYWAHT-LVZFUZTISA-N 461.587 6.532 50 40 JKGB CCOc1ccc([C@H](Br)[C@H](Br)C(=O)c2ccccc2[N+](=O)[O-])cc1OC 3119107 RPBSTZJXHAKOBN-IRXDYDNUSA-N 487.144 5.085 50 40 JKGB O=C(N/N=C/c1ccc(OC(F)F)cc1)c1ccc(CSc2nc3ccccc3s2)cc1 3202574 URWHJJISDMPMKL-LGJNPRDNSA-N 469.538 5.954 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cc1 3238776 MNRSTXBNIPBFPR-WPWMEQJKSA-N 474.655 6.199 50 40 JKGB COc1ccc([C@H]2CC(c3ccccc3)=NN2c2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1 7060006 RDCSKINXPSIXCK-QVKATGLSSA-N 475.552 5.210 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)c1 8811202 TXFCPXQJFDCFEO-MUFRIFMGSA-N 458.489 5.339 50 40 JKGB CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2F)cc1 8917422 KYXUHBVWIZMTMU-RUZDIDTESA-N 458.489 5.442 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OC(=O)c1ccc(F)cc1 10060135 HRUYPHBGHQBDHN-MZJWZYIUSA-N 454.885 5.169 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc(I)cc1 10118498 JCLFNENSFAJESK-ZMOGYAJESA-N 490.728 5.288 50 40 JKGB C/C(=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc(Cl)cc1 12652220 PRRYPCZPMCWBLV-TWKHWXDSSA-N 454.957 6.740 50 40 JKGB CO[C@H](C(=O)N/N=C/c1c(Br)c(C)n(-c2cc(C)ccc2C)c1C)c1ccccc1 20243806 QITFWKZEAUMEQA-XHEHIBSSSA-N 468.395 5.311 50 40 JKGB CC1CCN(C(=O)[C@]23CC[C@](C)(/C(=N/NC(=O)c4ccc(Br)cc4)C2)C3(C)C)CC1 26919505 YGRMXTYHNVJECM-XJHCDOBBSA-N 474.443 5.010 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)cc1 27018477 QFBKRJQKUCOISZ-HEHNFIMWSA-N 460.562 6.778 50 40 JKGB O=C(N/N=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2s1 33634900 GIIRMXSXKRNVOJ-LGJNPRDNSA-N 499.508 5.485 50 40 JKGB COc1ccccc1OCCn1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)c2ccccc21 41120694 BKMNWYRICIJVMY-KNTRCKAVSA-N 494.576 6.534 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)c(Cl)c1O 59336633 CVSFEKPVYSRYHW-UITAMQMPSA-N 476.541 5.669 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(F)cc1 59536348 XUUNEMBBPOMGHD-UDWIEESQSA-N 464.924 6.311 50 40 JKGB CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@H](c1ccco1)P(=O)(c1ccccc1)c1ccccc1 104159460 HCNDRIKLGHLQCE-VWLOTQADSA-N 484.319 6.371 50 40 JKGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(Br)cc2)[C@H]2C[C@@H](c3ccccc3)CC=C12 105973175 LYIKSXMWYJEQPQ-AVCGJXAMSA-N 455.359 5.436 50 40 JKGB N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 408541298 FTWAHWCTWCGTHS-HAHDFKILSA-N 471.516 6.087 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)o1 408568005 HPAQCOZQHNRKAC-ZMOGYAJESA-N 483.571 5.171 50 40 JKGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 408591178 RTQDWWVCEROELB-BHGWPJFGSA-N 461.305 5.082 50 40 JKGB O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)c2ccccc2C1=O 408641525 COFNZPWSSZGXIL-OAQYLSRUSA-N 499.325 5.013 50 40 JKGB CCOc1cc(OCC)c(C(=O)c2ccccc2)cc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1 408676180 GPUBBIJJFNVKMV-TWKHWXDSSA-N 485.584 5.079 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408727197 YYFMHWXGQYFLQD-UYRXBGFRSA-N 477.904 5.772 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408746751 GPYLLNNXHMFKLK-MWLSYYOVSA-N 489.663 6.785 50 40 JKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1C 408747532 PHTCAOAADVCYAL-WQRHYEAKSA-N 468.782 6.364 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1Cl 408748080 YBWIHQWQXLHECP-WJDWOHSUSA-N 489.200 6.709 50 40 JKGB O=C(N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 408755956 PZBILWABJWZIQZ-UXHLAJHPSA-N 489.487 5.884 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1C 408793382 FERNKFMLFSMXFT-VXLYETTFSA-N 496.350 6.643 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1cc2ccccc2o1 408846501 NRVPTUCOASSLSM-MWLSYYOVSA-N 499.364 6.691 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2F)c(Br)c1)C(=O)Nc1cccc(Cl)c1 408875050 BXQCCRVBYVYHIN-VCHYOVAHSA-N 469.741 6.378 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 408892876 DJVVSAURIUOGQX-GZTJUZNOSA-N 468.296 6.026 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2F)cc1 408898088 UKVKPZMQMDNXSC-DEDYPNTBSA-N 478.907 5.780 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)c2C)sc(C)c1C 409023297 WXMDIFTYTWSVAI-PPDIBHTLSA-N 498.004 6.113 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OCC(=O)Nc2cccc(C)c2)c1 409049944 RPPIQKPFJYDYFW-CPNJWEJPSA-N 475.932 5.220 50 40 JKGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 409121831 WVPLGSZWJAXDPY-HDFIIFABSA-N 473.425 6.512 50 40 JKGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C2C#N)cc1 409313175 HXHBUZCASWQRRT-OAHLLOKOSA-N 495.910 5.078 50 40 JKGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccccc1OCc1cccc(Cl)c1 409353080 YJGKQOUEMXJMAC-LGJNPRDNSA-N 472.770 5.244 50 40 JKGB COC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccc(F)cc3)C3=C2CCCC3=O)sc2c1CCCCC2 714765 PDOYQINTBWXWOT-QFIPXVFZSA-N 491.588 5.247 50 40 JKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)cc1 1813337 PYDXAACCGZVIKD-FOWTUZBSSA-N 467.472 6.474 50 40 JKGB CCc1cc2c3c(c1)[C@@]1(C(=O)N3C(C)(C)C[C@@]2(C)c2ccccc2)C(C#N)=C(N)OC2=C1C(=O)CCC2 2231258 GIBPYHQAWRMZBY-IOWSJCHKSA-N 493.607 5.053 50 40 JKGB O=C(COc1ccccc1-c1ccccc1)N/N=C/c1sc(Nc2ccccc2)nc1Cl 2658478 LKVYIYVCIPSIIU-CVKSISIWSA-N 462.962 5.736 50 40 JKGB C[C@@H](Oc1cccc2cccnc12)C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 2771697 ZPXPQIBNZPURNG-UZOOHMMHSA-N 461.525 5.005 50 40 JKGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccc(Cl)cc1 9089234 YMAPAZTUAPUOLX-RTWAWAEBSA-N 498.004 5.215 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(Br)ccc1OCc1ccccc1F)OCO3 9296365 HGLYLTLWXKBKNI-HSZRJFAPSA-N 495.304 5.114 50 40 JKGB CCOc1ccc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)cc1OC 9693257 FCDIMNHGFCSGLU-KRWDZBQOSA-N 469.994 5.275 50 40 JKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 10059272 FSKCKTAHPHRJOI-UPHQNKNSSA-N 495.417 6.071 50 40 JKGB O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/C(Cl)=C\c1ccccc1 13563276 MGTNBGFYTNJVJP-OFZPUJMRSA-N 495.435 6.212 50 40 JKGB CC[C@H](C)c1ccc(OCCOc2c(Cl)cc(C=NNC(=O)Nc3ccccc3)cc2OC)cc1 15939050 LZNBMJAJPGYTKB-IBGZPJMESA-N 496.007 6.476 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3Cl)c2C)cc1 20198203 PVFICYLUQKNUMV-AFUMVMLFSA-N 454.914 5.208 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 28216529 WSKIGTWFKBRAPX-IXBOPPFXSA-N 490.854 6.141 50 40 JKGB Cc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1 30742847 CJESXNYGVVJJRU-YKQZZPSBSA-N 497.668 6.091 50 40 JKGB C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C\c1ccc(OCc2ccccc2)cc1 33632198 XZIRETCFMPCIMB-XYLWXZHPSA-N 480.564 5.762 50 40 JKGB C[C@@H]1CCc2c(sc3nc(/C(C#N)=C\c4ccc(OCc5ccccc5)cc4)nc(O)c23)C1 33736014 QKIMKIKPQQVEQP-LCJWNIEWSA-N 453.567 6.165 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1cccc(F)c1 34760873 NHADESKYEXAWEW-LGJNPRDNSA-N 479.489 5.300 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cccc(C(F)(F)F)c1 39884752 OCTKMRSEMQEPKS-XYOKQWHBSA-N 451.231 6.818 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1ccc(Cl)cc1 40007471 RBZDEWSGZRAFBH-XQNSMLJCSA-N 460.961 5.584 50 40 JKGB N#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 59336169 VURQCMZQCUYCEE-WQLSENKSSA-N 451.107 5.204 50 40 JKGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 59427818 BYVYYJMEBBWSBX-KBVAKVRCSA-N 495.966 5.537 50 40 JKGB N#CC1=C(SCC(=O)Nc2cc(Cl)ccc2Cl)N=C2CCCC(O)=C2[C@H]1c1ccco1 102604762 LTVGHLXATZRDEU-HXUWFJFHSA-N 474.369 6.228 50 40 JKGB O=C(N/N=C/[C@@H]1C[C@@H]2C[C@@H]1[C@H]1[C@@H]3C[C@@H]([C@H]21)[C@@]1(F)C(F)(F)C(F)(F)[C@]31F)c1ccc(Cl)cc1 104495866 MQLAXXGENLFXSE-ZRTHCSRRSA-N 476.848 5.295 50 40 JKGB CCN1c2ccc(/C=N/NC(=O)c3cccc(I)c3)cc2[C@@H](C)CC1(C)C 223530260 NNLYMKMDLMQHOT-BGHCKBSUSA-N 475.374 5.167 50 40 JKGB C[C@@H]1C[C@@H]2C(=CCCC2(C)C)C[C@H]1/C=N/NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 254372652 VBYMCZWEOZFNSW-BVMWVUJASA-N 471.645 5.445 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1OCC 408540117 NGSFCUNHGIHWNQ-YQYKVWLJSA-N 495.063 7.324 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1ccc(Cl)cc1 408541235 FKVWLYDNPHOPBY-GRSHGNNSSA-N 498.760 6.452 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4Cl)cc3)CC2=O)cc1 408607607 NIOSCHXUIADJLA-GOSISDBHSA-N 484.383 5.377 50 40 JKGB Cc1ccccc1/C=N/NC(=O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 408731956 NQDLXMOXVWPLDW-WEMUVCOSSA-N 455.561 6.884 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 408745588 SZPCFLVDQGZIRW-ZDLGFXPLSA-N 482.323 6.335 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OCc1cccc(F)c1 408812107 LGVVKFBHWKTCDJ-YBFXNURJSA-N 480.923 6.011 50 40 JKGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 408850271 JVFOEUTZQAPPES-MSXFZWOLSA-N 477.742 5.576 50 40 JKGB COc1cc(C)c(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc1C(C)C 408856981 MKRJZBCGLKUCIA-LSFURLLWSA-N 484.188 5.122 50 40 JKGB COc1cc(/C=N/NC(=O)/C=C/c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 408862603 GVCOXZXHVSBUPL-APQXPCSDSA-N 479.374 5.509 50 40 JKGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 408876460 OYYPALWSHBONQR-HEOQCTJZSA-N 459.398 6.203 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Cl)c1OCc1ccccc1Cl 408880955 JMXRAXWJVYPZGE-MUFRIFMGSA-N 494.378 6.136 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c1OCc1cccc2ccccc12 408890400 SMDADSPSEXMNST-WKULSOCRSA-N 479.363 6.498 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1 408890768 YVLBWFKZLULGAB-CJLVFECKSA-N 480.495 5.890 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccc(F)cc1 408894911 JSEWKSYICVKKHE-YBFXNURJSA-N 461.449 5.176 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccccc1C 408924080 NPPGZSOJUXTMOF-KKMKTNMSSA-N 477.775 6.307 50 40 JKGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 409030795 FGLHIPPLKWTBQA-WKULSOCRSA-N 498.995 6.830 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c(Cl)c1 409052440 HLZAVWSZHXYFMQ-BRJLIKDPSA-N 458.301 5.553 50 40 JKGB Cc1cccc(C(=O)N[C@@H](C(=O)N/N=C\c2ccc(-c3ccc(C)cc3Br)o2)C(C)C)c1 409151562 HEANGBQDRGZMMA-YZYFAYFQSA-N 496.405 5.231 50 40 JKGB COc1cccc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c1OCc1ccc(C(=O)O)cc1 409185505 ZJJPPNOKHLEKPM-MOSHPQCFSA-N 453.416 6.055 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1 409255300 HCLYCENFRAIXNH-UNOMPAQXSA-N 494.378 6.173 50 40 JKGB Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Cl 409260784 WIFOHVKLUBWQNV-MOSHPQCFSA-N 459.933 5.520 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1Cl 409266207 PEIAOMIVBNACAT-ATVHPVEESA-N 496.350 5.565 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccc(C)cc2)cc1 935047 YDOHTUCUIYEGRE-MZOFLMDJSA-N 488.012 6.022 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccc(O)cc1 1096242 IEPMKPSCJPJTEK-HMMYKYKNSA-N 454.913 6.323 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3F)n2C2CCCCC2)cc1 2225672 MTYQXFYTPSDYEX-CVKSISIWSA-N 451.571 5.140 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(O)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2342579 FXVPYPOEZDGVKI-STBIYBPSSA-N 499.640 5.488 50 40 JKGB O=C(N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)c1ccc(-n2cccc2)cc1 2404574 PXDUELUXSOBJQX-LQKURTRISA-N 464.352 6.127 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)ccc1OCc1ccc(Cl)cc1 2730441 LNIHJJKUTUEEME-JFLMPSFJSA-N 468.937 5.099 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OC 6089733 KQRPGLIZAHJFIH-LQKURTRISA-N 486.597 6.033 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Br)cc3F)n2)cc1OC 9075564 KHMROCFEKWBSDH-RAXLEYEMSA-N 460.328 5.705 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 9762798 HUXYIJSPJIXPME-RHANQZHGSA-N 499.640 5.488 50 40 JKGB O=C(N/N=C\c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)[C@H]1COc2ccccc2O1 13598972 RHFRSEUPXZXWQL-OVACNQIQSA-N 451.693 5.197 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1C 16439307 ARZSHOTVXNRLCQ-XNTDXEJSSA-N 466.291 5.780 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C(=O)OCC)cc1 27563356 NHYFJUASBJFFEB-QGOAFFKASA-N 484.574 5.133 50 40 JKGB COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(I)c1OC 33793743 SLRDXLILYOKTCK-KPKJPENVSA-N 480.352 5.575 50 40 JKGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(C(C)(C)C)cc2)C2CCCCC2)c(C)c1 35168888 RFDMYNHFPCHAEK-MIXAMLLLSA-N 497.705 5.383 50 40 JKGB O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1cc(-c2ccccc2)nc2ccccc12 58840200 ZURISJBLALUKFB-DHRITJCHSA-N 491.301 5.042 50 40 JKGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 58893062 OVYBAEAYSMDKJD-UJBXUPAJSA-N 498.421 5.219 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1 59232880 RSYRITBTEGMMFZ-DEDYPNTBSA-N 451.353 6.680 50 40 JKGB C/C(=N\NC(=O)CCSc1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 59473692 FEECVUWLHBTCJA-WPWMEQJKSA-N 451.979 5.615 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1 83318456 AZVNAZACJYGTLP-WGARJPEWSA-N 479.330 5.547 50 40 JKGB CCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2cccc(Br)c2)cs1 100843646 BUDNWJQBSSBOJF-QINSGFPZSA-N 454.349 5.726 50 40 JKGB O=C(O)c1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]21 101139687 PFNDLHUUVRPUCP-QRYVVUSGSA-N 498.963 6.471 50 40 JKGB Cc1nn(-c2ccccc2)c(C)c1[P@](=Nc1ccc(F)cc1)(c1ccccc1)N1CCCC1 102140134 MCHFHWSCHCHUCK-XIFFEERXSA-N 458.521 6.123 50 40 JKGB CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)cc2)cc1 102653129 ZPOPXAWDGVHMBH-JOLMYRCBSA-N 484.390 5.286 50 40 JKGB CCN1CCN([P@@+](Nc2ccccc2)(c2ccccc2)c2c(C)nn(-c3ccccc3)c2C)CC1 102830470 PUIDKRCYILUECD-DHUJRADRSA-N 484.608 5.037 50 40 JKGB COc1cc2c(OC)cc1[C@H](Br)[C@H](Br)c1ccc(cc1)[C@@H](C)[C@H]2C 254851226 IXOJPPZTKGLJHW-LOMVZZFCSA-N 454.202 6.497 50 40 JKGB CC(C)N1c2ccc(/C=N/NC(=O)c3cccc(I)c3)cc2[C@H](C)CC1(C)C 260562786 BUVDOSIUMIANSM-FRQJIFLKSA-N 489.401 5.556 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 408580479 PTAYAXWHBJTMRW-RQZCQDPDSA-N 493.615 8.052 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 408733873 BSFHTDFOQZRVLH-LDADJPATSA-N 468.782 6.364 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1 408738370 WAZZLTCKBZQXQF-RWPZCVJISA-N 490.357 5.105 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)C(=O)Nc1cccc(Cl)c1 408762763 GEOUHIHKMGRIAK-GZTJUZNOSA-N 466.324 5.557 50 40 JKGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 408784237 PPJPDLBZBIAKOB-JWGURIENSA-N 490.003 6.319 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1 408813292 MUZQTRXDTPYOSS-VXLYETTFSA-N 485.798 7.388 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(C)c1OCc1ccc(Cl)cc1Cl 408843873 GAWZILSMBXNLHV-KKMKTNMSSA-N 461.776 6.607 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 408885891 GKZDQIZGNHELGC-GZTJUZNOSA-N 485.754 6.720 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2Cl)cc1 408890861 HOKCKYARXZWHGY-DEDYPNTBSA-N 480.973 5.579 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(C(C)(C)C)cc1 408956594 XSIZYLDMCCVIGV-ULJHMMPZSA-N 464.613 6.139 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccccc2)o1)c1cccc(Br)c1 409003340 RYWIDBCIWWDKCT-UVTDQMKNSA-N 461.178 7.020 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2)cc1C 409006971 LXAQIUDWOYZIEI-MOSHPQCFSA-N 459.933 5.520 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl)C(=O)Nc1ccc(O)cc1 409042263 LYOABXQFSBIXCO-CXUHLZMHSA-N 473.743 6.477 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1 409087861 IDDUOUGDLIAVRE-WJDWOHSUSA-N 483.402 5.960 50 40 JKGB CCOc1cc(/C=N/NC(=O)CCSc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 409126189 DUXFVEAUNAAEBR-OGLMXYFKSA-N 483.033 6.259 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)NC1CCCC1 409194629 QIVALNVBDAVPBT-BOPFTXTBSA-N 459.771 5.647 50 40 JKGB N#C/C(=C\c1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)o1)C(=O)NC1CCCCC1 409275437 UPJOYBGGLCYHSR-GHRIWEEISA-N 498.530 6.262 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3)cc2)sc(C)c1C 948739 YMBYDHQMXBEZHO-XSFVSMFZSA-N 474.538 5.307 50 40 JKGB ClCCN(CCCl)c1ccc([C@H]2N[C@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 1722204 MDMIUDPJRKMOFJ-IZLXSDGUSA-N 477.435 6.894 50 40 JKGB COc1ccc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(Cl)cc1 2768399 RUSDJUYRFKGANO-DHLKQENFSA-N 470.960 5.521 50 40 JKGB COc1ccc(-c2csc(-n3nc(-c4ccc(Cl)cc4)cc3NC(=O)CCl)n2)cc1 8754962 GFDPVCKWRQNBAQ-UHFFFAOYSA-N 459.358 5.502 50 40 JKGB Cc1occc1C(=O)N/N=C\c1cn(Cc2c(Cl)cccc2Cl)nc1-c1ccccc1 12372510 YJFXMXIAODAFKL-ZRGSRPPYSA-N 453.329 5.571 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)cc1C 13174252 CHUNBAQMNZTSQE-XMMPIXPASA-N 478.017 5.758 50 40 JKGB Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 13174254 UDXJITXOYIHYRS-HSZRJFAPSA-N 478.017 5.758 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 20197832 AWWDFFNWUGRSAP-UXHLAJHPSA-N 472.972 6.625 50 40 JKGB O=C(N/N=C/c1ccc(Br)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 20240610 SQOFQFHYVAKFEW-VUTHCHCSSA-N 490.445 5.668 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 20387362 VNUJICSLNDISCF-OXUBWTJQSA-N 479.717 5.427 50 40 JKGB CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(OC)c1 27563446 MVFDKGSIDQCDDL-HEHNFIMWSA-N 478.589 5.190 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1Cl 33453301 WPGJQNSVUNXZMS-NVMNQCDNSA-N 455.297 6.553 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccccc1Br 33684039 ZHJSCYRXVHJIJW-WYMPLXKRSA-N 497.374 5.743 50 40 JKGB COc1ccccc1OCCOc1ccc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)cc1 41108881 KLWYZIQPIPXWLY-KNTRCKAVSA-N 471.538 5.958 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 59921371 QAMUXQUPFNTVNG-WKULSOCRSA-N 479.363 6.255 50 40 JKGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccccc3F)c(OCC)c2)cc1 83301285 XAAUMCRQWMKAPL-AKLYFZKISA-N 494.563 5.166 50 40 JKGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 90444868 JWHFELCALPNIQP-VWLOTQADSA-N 457.599 5.358 50 40 JKGB CCCCCCCCCCCCCCCCCC(=O)N/N=C\C(=C/c1ccccc1)CCCCCC 104166602 CGSZWHVBQYSBQA-FOWYEKCVSA-N 496.824 10.404 50 40 JKGB C[C@H]([C@@H]1CCC[C@H]1P(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1 202546679 IHERDRRKNNMAEF-SDDUWZMOSA-N 478.641 8.824 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1Cl 408538830 CGBXGYKYXPVSMZ-FSGOGVSDSA-N 485.455 7.579 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccc2ccccc2c1 408545186 ZKBWQVKJBSVNLG-CVKSISIWSA-N 473.576 7.375 50 40 JKGB O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1cccc(O)c1 408729723 CGBIEGAXHAEHJX-YQYKVWLJSA-N 457.533 6.281 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC)c(OCC)c2)c1 408751989 BBHCHJYCIBZILN-MHWRWJLKSA-N 459.340 5.191 50 40 JKGB N#C/C(=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)Nc1ccc(F)cc1 408781887 FSVNDJPZITTXEF-HKWRFOASSA-N 467.456 6.012 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)cc1 408791775 CGSFFTOZTVIFCB-ZXVVBBHZSA-N 474.560 6.699 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 408795642 LWDAVIGHKBBJLL-MDWZMJQESA-N 486.709 6.125 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 408805524 LCCSQJRLAOVUIF-CJLVFECKSA-N 463.493 6.181 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 408809354 LAFCTNMFACTWKO-IOQNOCSLSA-N 463.534 5.174 50 40 JKGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)cc1 408810373 JNTASJCDKKKZIP-VDLQHFIISA-N 453.380 5.630 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)cc2)c(OC)cc1Cl 408836109 ZFANNEYQOUGUFC-CIAFOILYSA-N 476.960 6.099 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NCCc1c[nH]c2ccccc12 408853998 VHRDIRSNJPKXAW-JCMHNJIXSA-N 455.945 5.666 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3ccccc3F)c(OCC)c2)cc1 408874969 FUJAJLMWGBHTNW-DEDYPNTBSA-N 478.951 6.413 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408891126 LWWVEFZOQVESHZ-CVKSISIWSA-N 486.440 5.221 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1cccc(Cl)c1 408899275 OZXOVFXMMIUYRV-RQZCQDPDSA-N 498.322 6.035 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 408904153 FNUVFUDRCRICEF-ZRGSRPPYSA-N 484.295 5.991 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccccc1OC 409021035 XCKTVNVEBUVFND-JCMHNJIXSA-N 499.567 5.274 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2C#N)c(Cl)c1 409056401 MAHYTSSFUZKGAD-UVHMKAGCSA-N 482.765 5.626 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1)c1ccccc1 409059173 UURGTYJXHHDTMF-VCHYOVAHSA-N 459.170 7.399 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccccc1 409233975 VCWZJKKCPYIKAI-VQCBNXJZSA-N 487.806 6.631 50 40 JKGB Cc1cccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)c2)c1C 409257925 UTEQYHRZAWFVDV-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB C=CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OC)c1 409309314 FJPUPBLEURXURB-YUMHPJSZSA-N 450.922 5.256 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)ccc1OCc1ccc(Br)cc1 409366449 VCWDYQXQJIWVEC-DICXZTSXSA-N 481.390 5.346 50 40 JKGB N#CC1=C(N)N(c2ccc(F)c([N+](=O)[O-])c2)C2=C(C(=O)CCC2)[C@H]1c1ccc(C(F)(F)F)cc1 695920 KTUDEENZQLNLAY-FQEVSTJZSA-N 472.398 5.057 50 40 JKGB COc1ccc2c(Cl)c(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)sc2c1Cl 2645008 AEHGFIITAHLXNK-UHFFFAOYSA-N 474.325 5.215 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccc(F)cc1 4196381 FOOKYWUCSSRYHS-RGVLZGJSSA-N 495.348 5.399 50 40 JKGB CCCCn1c2ccccc2n2c(C(=O)N/N=C3\C(=O)Nc4ccc(C)cc43)c(-c3ccccc3)nc12 8740687 OGWQKTUKALUDMO-UHFFFAOYSA-N 490.567 5.151 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccs3)cs2)sc(C(=O)OC)c1C 10232882 PVZIIQZKMZEVHU-XFXZXTDPSA-N 459.574 5.181 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccccc3s2)cc(Br)c1OCc1ccccc1 11990325 AERJENTVXYIDCT-WQRHYEAKSA-N 477.383 6.711 50 40 JKGB CCOc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(OCc5ccccc5)c4)CC(=O)N3C2)cc1 12251027 VHRYCTREJJBQIM-SANMLTNESA-N 497.620 5.884 50 40 JKGB CCCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(Cl)cc2)/C(=C\c2ccc(Cl)cc2)C1 20792460 CEPYUCICWJSNHB-KELOHDTKSA-N 452.385 5.864 50 40 JKGB CC(C)(C)c1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 32576869 OCMXEBPWBDKLKG-MWLSYYOVSA-N 491.060 6.278 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccccc1 33400948 CQLAOGZGIUEXMG-SFQUDFHCSA-N 494.320 5.151 50 40 JKGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1I 33429268 IKZCNABUYUPDNV-GHXNOFRVSA-N 487.124 5.542 50 40 JKGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4cc3OC)c2C)c1 33536652 FOUBJRNILMHZMY-MUFRIFMGSA-N 469.541 5.115 50 40 JKGB Cc1ccc(Cn2c(SCC(=O)N/N=C\c3ccc(Cl)c([N+](=O)[O-])c3)nc3ccccc32)cc1 33703025 MTKIJRXTXMUPSB-ZMFRSBBQSA-N 493.976 5.197 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)c(C)n1-c1cc(Cl)ccc1Cl 58916864 OYEJGEIRHWCTIA-KBKYJPHKSA-N 480.848 6.438 50 40 JKGB N#C/C(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 59117324 DSCWMMCWTYHKJM-RVDMUPIBSA-N 492.189 7.425 50 40 JKGB O=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C/c1cccn1-c1ccc(Cl)cc1 59248495 SQFXDIARYKQNRT-YSURURNPSA-N 457.144 5.620 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4Cl)cc3)c2C)cc1 59335476 KBXXBDIXNPYDJH-UQQQWYQISA-N 496.010 7.181 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccccc1 59484555 XALUMWSTJQAZCX-LPYMAVHISA-N 491.385 5.650 50 40 JKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(OCCCCC)cc2)cc1 98001596 JXCWVOWVJLJZJV-BGABXYSRSA-N 466.666 7.539 50 40 JKGB CSc1oc(-c2ccc(Cl)cc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 105969500 WTAZAJIGMHRDKF-UHFFFAOYSA-N 486.984 6.336 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(Cl)cc1Cl 107820716 PFJWGHDROMMKKZ-LICLKQGHSA-N 495.435 6.759 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 108987547 AKYDCYSXJOVFAA-IUXPMGMMSA-N 498.797 7.483 50 40 JKGB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](Br)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 123248930 XSXHTVGXMMGURA-CFGREFOQSA-N 483.575 6.813 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 209281591 JHDXIGUZXWCVLQ-CTPANLQCSA-N 481.379 6.365 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)o1 209656798 NIGNGEXXSGGOJN-PTNGSMBKSA-N 458.499 5.521 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)c1nc2ccc(F)cc2[nH]1 408568293 IUQWQCUVNMKINH-APSNUPSMSA-N 482.298 6.350 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc3ccccc3c2)c2ccccc2n1Cc1ccccc1Cl 408599490 VPDPRHAMQSIKOH-OCSSWDANSA-N 451.957 6.569 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408677818 VBPWPBGXRWYSJS-MUFRIFMGSA-N 498.410 5.945 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c1 408745675 OEPHKGCRLUWVAY-ODLFYWEKSA-N 467.352 6.517 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)cc1 408746082 QRTZFKDQUUBJQK-NDENLUEZSA-N 462.933 5.790 50 40 JKGB CC(=O)Oc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 408753214 FIKUVLOFNRSWKV-SDQBBNPISA-N 454.107 5.227 50 40 JKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3C#N)c3ccccc23)c1 408772570 CXMAFBQFKXNOFX-UCQKPKSFSA-N 460.537 5.894 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)CSc3nc4ccccc4s3)c2C)cc1 408780732 JEIOELWXQZOVNK-WGARJPEWSA-N 492.626 5.123 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(C(=O)O)cc1 408797251 QOUVCGBKATUGQR-DEDYPNTBSA-N 476.916 5.562 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1c(C)cc(C)cc1C 408805573 GVOYRCVJISVURS-VSSQWIBESA-N 460.618 6.191 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NCCc1ccccc1 408808690 QUVXJWJDDRLMOQ-CJLVFECKSA-N 461.359 5.294 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408852038 QHCZTYUXSIFGJM-NVJOKUIPSA-N 477.870 5.157 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1Cc1cccc(F)c1 408869586 SMGAGUWVSRZAIN-KEBDBYFISA-N 493.376 6.350 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1Cc1cccc(F)c1 408872908 LCSXQIKUMWHXMY-CAOOACKPSA-N 465.868 5.532 50 40 JKGB C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 409039173 BTVZLDCBSNOFLF-MDWZMJQESA-N 496.586 5.975 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OCC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409087686 ZGPQDRVMWZUBPR-KGENOOAVSA-N 494.469 7.597 50 40 JKGB COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C 409248768 QHMYHRHHZSTVKC-PDGQHHTCSA-N 467.447 5.445 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1C 409263140 AKFZGOUSYJYNQW-NDENLUEZSA-N 489.959 5.529 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(Cl)cc3)c2C)cc1Br 409368461 WZMHHVXWBVNUIL-DHRITJCHSA-N 458.787 5.511 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(Br)cc1OCc1ccccc1 661058 JWOIKECWELOYEQ-HSZRJFAPSA-N 495.373 5.242 50 40 JKGB N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 1453204 RVLIHGGNQPIWAC-KAMYIIQDSA-N 485.487 5.550 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)cc1OC 2109505 KJVRVVFTGGGIRM-RDRPBHBLSA-N 469.541 5.472 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccc(F)cc1 2159676 QUMIDPWAAMGPGO-KBVAKVRCSA-N 482.511 6.467 50 40 JKGB Cc1ccccc1[C@@H]1C(C#N)=C2N=C(N)c3c(sc4c3CCCCC4)N2C2=C1C(=O)CC(C)(C)C2 2185971 GSLCULXPGCZSDY-HSZRJFAPSA-N 482.653 6.027 50 40 JKGB aggregator O=C(N/N=C/c1c2ccccc2cc2ccccc12)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 8780725 TUTKFJSRPGJFJN-RDRPBHBLSA-N 466.541 5.264 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)CC(=O)N2)cc1 8970303 YIZUXGKXEGHUQU-DEOSSOPVSA-N 483.593 5.285 50 40 JKGB N#CC(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)/C(O)=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F 9057498 CJWJMIRYVIWDDA-UKTHLTGXSA-N 472.335 5.977 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1ccc(Cl)cc1 9292666 OVHLHLZJDVRBDT-QFIPXVFZSA-N 454.917 5.527 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)c(C)n1-c1ccc(Cl)c(Cl)c1 12311415 FONXNXUOJFVLEY-OVCLIPMQSA-N 471.300 5.560 50 40 JKGB C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1cccc(C(F)(F)F)c1 12633250 SYOADWSMKUOOLG-CVIWKCETSA-N 475.511 5.028 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 20082549 GMRQPEUYQIDCSR-DEOSSOPVSA-N 494.016 5.446 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc(Br)c1O 28217861 VKURSPSDEMPWIB-ZMOGYAJESA-N 471.376 5.220 50 40 JKGB Cc1cc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)n(-c2ccccc2)n1 33339703 IEDCAQRPGLWDLS-JXAWBTAJSA-N 462.431 6.005 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 35129108 TYRIYQCLLNOVQQ-CIAFOILYSA-N 472.342 5.754 50 40 JKGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)c3ccc(-c4ccccc4)cc3)=C2C#N)cc1 40486359 DQAMNUSTYKNXSV-HSZRJFAPSA-N 454.551 5.317 50 40 JKGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 44965615 GVOWOBKZHTYVCS-KVSWJAHQSA-N 472.759 6.622 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cccc2ccccc12 59297120 INJXRMDGMVTWCN-PXLXIMEGSA-N 483.365 6.727 50 40 JKGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 96562743 CCKNPFBGAONVNJ-ZROIWOOFSA-N 494.716 5.064 50 40 JKGB O=C(N/N=C/c1cccs1)c1cc(-c2ccc(/N=C\c3cccs3)cc2)nc2ccccc12 100735330 QGZLACFZPOOXRR-UKNVNEPJSA-N 466.591 6.539 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 109044470 CFOWIZSSKDQGRX-QRQIAZFYSA-N 469.497 5.028 50 40 JKGB CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2C(C)=CC1(C)C 208514730 GDLXHRAJZVVJTD-WQRHYEAKSA-N 450.380 6.017 50 40 JKGB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)C#C[C@H](C)C(C)C)CC[C@H]4[C@@]34CC[C@]2(C1)OO4 257349686 QICKSUTUHBCJRE-NJLFBIDRSA-N 470.694 6.716 50 40 JKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 408598805 JXFLBJNSSKHVEP-ZMOGYAJESA-N 470.323 5.679 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1cccc(Cl)c1 408734553 HXVWHMDOVGLWIL-XYOKQWHBSA-N 472.682 5.816 50 40 JKGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c(C)n1-c1ccc(Br)cc1 408786545 KHFIEAZQLDPAHL-KQOOCWMGSA-N 485.389 5.064 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc3ccccc3c2)c(Cl)c1 408787697 FAOYCFFUUBIIMN-YDZHTSKRSA-N 487.386 7.580 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc2ccccc2c1 408789211 OMUVVWWJIXIWNR-OEAKJJBVSA-N 450.494 5.679 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1Cl 408812429 OVCAGHCHEDYLTJ-GIJQJNRQSA-N 471.771 7.080 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OC(C)C 408837200 ZXBNFEOSUCESCH-HZHRSRAPSA-N 456.542 5.916 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408858689 KSHXHDFRPQOAGW-KKMKTNMSSA-N 461.776 6.607 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(OC)c1 408867890 MKERECSELMSJLF-YBFXNURJSA-N 450.579 5.228 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OCc1ccc(Cl)cc1 408884898 YZBXRNBHQDHDRE-GZTJUZNOSA-N 487.770 6.780 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(=O)c2cccc3ccccc23)c([N+](=O)[O-])c1 408890493 UQAFPFOEHFCLOT-LTGZKZEYSA-N 477.476 5.821 50 40 JKGB COc1cccc(/C=N/NC(=O)COc2ccccc2Cl)c1OCc1ccc(Cl)cc1Cl 408914829 WINWYKWTYBJFBP-KKMKTNMSSA-N 493.774 5.764 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1Cl 408933486 AHAWPOMFZIVMPQ-NVMNQCDNSA-N 471.771 7.080 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCC(C)C)c2ccccc12)c1ccccc1 408982537 YLQSORFQOZEQDZ-QQNPRBCQSA-N 461.562 5.202 50 40 JKGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl 408983357 LOFZUPSFCKUYCP-ACAGNQJTSA-N 453.709 5.053 50 40 JKGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 409124099 GTWZMQMTYQPBPP-FQEVSTJZSA-N 459.304 5.526 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 409239771 FBRWMOOCTBKJRR-HMAPJEAMSA-N 495.406 6.237 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(Br)c1OCc1ccccc1 409375785 PGUPHGDZTHXVAH-RGVLZGJSSA-N 480.362 5.488 50 40 JKGB N#CC1=C(N)OC2=C(CC/C2=C\c2cccc(Br)c2)[C@H]1c1cccc(Br)c1 1445422 XSZWMKLFBBGEQK-YWMGUWEJSA-N 484.191 6.151 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cc(Br)ccc1O 3193965 WHPSUOPPGZHMFA-WYMPLXKRSA-N 459.727 5.151 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccccc3C(F)(F)F)n2-c2ccccc2)cc1 8431260 DRELIZPREIPCCI-FDVSRXAVSA-N 495.530 5.504 50 40 JKGB CS/C(NC(=O)c1ccccc1)=C(\C#N)[C@H](CC(=O)c1ccccc1)c1ccccc1Cl 9056983 ROLSTKBUVWCZAT-PCOHFRABSA-N 460.986 6.225 50 40 JKGB N#C/C(=C\c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)S(=O)(=O)c1ccccc1 13322239 GVOYMBKSINMCJP-LICLKQGHSA-N 468.745 6.157 50 40 JKGB CCOC(=O)/C(C#N)=C/c1cc(Br)ccc1OCCOc1ccc(C(C)(C)C)cc1 13881211 HTAQQOGUMJNEQK-NBVRZTHBSA-N 472.379 5.674 50 40 JKGB O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccc(F)cc1)c1ccc(F)cc1 15230421 MOPIOTFFDQLLIV-UHFFFAOYSA-N 492.572 7.269 50 40 JKGB CC(C)c1ccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1 30743100 VCHTULAAKMVXSJ-KSEXSDGBSA-N 477.080 5.850 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1ccc(C(=O)O)cc1 33412269 DKTNASNAWFVQOD-NVMNQCDNSA-N 458.728 6.988 50 40 JKGB Cc1cc(/C=N\NC(=O)c2ccc(-n3cccc3)cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 33731667 DQQXXQROTVKEBW-NTFVMDSBSA-N 486.597 5.287 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 39383576 QCCABXNKMRPZSC-UVHMKAGCSA-N 457.744 6.753 50 40 JKGB O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1ccccc1Cl 59101785 SJNLBKWEHXYKRQ-RPPGKUMJSA-N 476.747 5.315 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1F)C(=O)Nc1ccc(Cl)c(Cl)c1 59117470 IJHYGYDWTYWWPR-CXUHLZMHSA-N 475.734 6.911 50 40 JKGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 59336350 ILKYICZBNZDWQC-WQRHYEAKSA-N 468.340 5.953 50 40 JKGB CC(C)COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 59473648 JQANJZFHHSIMLR-JFLMPSFJSA-N 453.007 6.431 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1cccc(I)c1 59920901 FMIHXENJCADREM-ZMOGYAJESA-N 490.728 5.288 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(Cl)cc1 107684693 PVXSMSXVCMUUOV-MSXFZWOLSA-N 452.923 5.634 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc21 223517673 AEVLZWCLXXDFPF-OYKKKHCWSA-N 466.629 6.153 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1ccccc1 408567508 FJQWAVNGCIBBIW-MFOYZWKCSA-N 478.321 6.116 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OCc2ccccc2)cc1 408584041 ZPBMTZOQKMZHDC-YBFXNURJSA-N 499.202 6.863 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccccc1 408725894 NRNWFSPFMDGBJQ-MOSHPQCFSA-N 477.358 5.972 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(Cl)c(Cl)c1 408741617 QYSGDRHZKROIMR-KBKYJPHKSA-N 496.163 6.238 50 40 JKGB N#C/C(=C/c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)Nc1ccc(Br)cc1 408745855 VZADCCVKHVGLCL-MOSHPQCFSA-N 481.353 5.869 50 40 JKGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc(C(C)(C)C)c1O 408756518 VXAKQWAGTTUORT-STBIYBPSSA-N 491.588 6.238 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)ccc1OCc1ccccc1 408766467 RBUZNYMZBFHQFR-XSFVSMFZSA-N 477.358 5.972 50 40 JKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1 408776084 NBVXDCBSSYPWDW-MHWRWJLKSA-N 451.866 5.841 50 40 JKGB COc1ccc(SCC(=O)N/N=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 408781090 RLFWBMXYOFBAAM-CFRMEGHHSA-N 472.408 5.108 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 408786397 JHRMCFUUFCNMJY-ZHZULCJRSA-N 460.559 5.585 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1OCc1ccccc1C#N 408793204 DJUGSWLEGADWFR-CVKSISIWSA-N 477.564 6.037 50 40 JKGB C[C@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccccc1 408804686 GOHIHMHHGSMCLB-SXZORUHJSA-N 493.485 5.507 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OC 408809731 ITTOGGGSTQBWOE-CEUNXORHSA-N 453.542 5.624 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C)c(C)c2)cc1 408819624 ZTFBZVZKLKEAIV-OEAKJJBVSA-N 489.413 6.753 50 40 JKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cc(OC)c(Cl)cc1OC 408830794 YXGMORSSJRSRDH-SFQUDFHCSA-N 450.922 5.845 50 40 JKGB N#C/C(=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1ccc(Cl)c(Cl)c1 408879012 DRPAEIUPVMRPKG-LICLKQGHSA-N 462.336 6.599 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408884024 SEKLDMQIKSWXMS-VCHYOVAHSA-N 452.297 6.038 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1Cl 408901031 ZJGUYBSGJOFRRT-MZJWZYIUSA-N 473.356 5.744 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccc(C)cc3)o2)cc1 408911734 CUTZCKYHFLDDPS-VBKFSLOCSA-N 483.387 6.446 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccccc1C 408925976 VJACRJRSYHEJSP-CIAFOILYSA-N 490.943 5.870 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1 408937808 PAAYKZCMOSOYMS-ZHZULCJRSA-N 477.358 5.972 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccc(Cl)cc1Cl 409050952 FFTPCQSRIIDGRM-KKMKTNMSSA-N 477.775 6.307 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Cl)c1OCc1ccccc1F 409055559 ZNVDTBUCIVHYTD-XODNFHPESA-N 475.347 6.183 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 409071815 LNLQFTKXDLMGTJ-LDADJPATSA-N 454.891 5.389 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccc(F)cc1 409072033 AGSNAVKPMSGKAE-WOJGMQOQSA-N 495.304 5.411 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409072121 IFEHVYBCJIUNSG-DEDYPNTBSA-N 453.947 5.879 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 409123296 FUUGFZLKKKJMOV-QFIPXVFZSA-N 465.347 5.151 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 409227626 QZFTUQRKXUSZCU-KSEXSDGBSA-N 467.747 5.679 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)NCCCc1ccccc1 409239736 DSJHRXWUYQSWKC-PLRJNAJWSA-N 464.540 6.214 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(I)cc1 409371287 HNZDEGYFWBMAMD-KQWNVCNZSA-N 487.340 7.088 50 40 JKGB O=C(Cn1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc21)Nc1ccccc1 977441 RRVGLQYEDYVCDO-IPPBACCNSA-N 464.447 5.063 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 1767557 WWMJFQLBCMJWLK-LDADJPATSA-N 480.387 5.607 50 40 JKGB C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C 8424463 KDYILLQWGFDKEV-SGWCAAJKSA-N 477.630 5.542 50 40 JKGB N#C/C(=C\Oc1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1)c1ccc(Cl)cc1Cl 8855483 BSBCFSSKXMBAOP-CMDGGOBGSA-N 478.179 6.918 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1cccc(OCc2cccc3ccccc23)c1 9057326 MSZFEMRFRAVSLD-HZHRSRAPSA-N 463.493 6.181 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OC(=O)/C=C/c2ccco2)c(Cl)c1 13536986 IGIDDJBCSGNNPU-ICYZZGTRSA-N 487.737 5.387 50 40 JKGB Cc1ccc(OCCOc2ccc(Br)cc2/C=N\NC(=O)NC2CCCCC2)cc1 13941869 HPOOGPHGNXKUSB-XYGWBWBKSA-N 474.399 5.181 50 40 JKGB Cc1cccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccccc2)c1C 13943189 JDZSJOQKORFBMG-UHFFFAOYSA-N 469.651 5.207 50 40 JKGB N#CC1=C2SCN(Cc3ccco3)CN2C(=O)C[C@@H]1c1cccc(OCc2ccccc2)c1 20238345 YSVCHRUDMOSSQZ-HSZRJFAPSA-N 457.555 5.074 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(O)c(Br)c2Br)cc1 30798129 DUSXPOPSIJDZRN-JYRVWZFOSA-N 480.156 5.034 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cccc([N+](=O)[O-])c1 33352534 BKACWUUVISXIBD-MSXFZWOLSA-N 481.306 5.275 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)NCc1ccccc1 59437466 JMMYMHQEOZRJMG-STZFKDTASA-N 470.370 5.675 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1cccc2ccccc12 59445306 ZOXCPJUBXAMNBQ-JVWAILMASA-N 459.343 5.945 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)ccc1OCc1ccccc1Cl 100223041 LSHDHMWQKQQVIL-QHCPKHFHSA-N 498.922 5.069 50 40 JKGB CCCCCCCCCCC/C=N/NC(=O)C(=O)N/N=C/CCCCCCCCCCC 104375743 DAFBTKQYABQJAJ-LMCGJEQXSA-N 450.712 7.032 50 40 JKGB CCCCCCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C 408536771 AZURHXNLPMYFIM-JWGURIENSA-N 483.450 7.351 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1OC 408580581 CPRLVQBNWODZPR-VXLYETTFSA-N 453.897 6.148 50 40 JKGB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)N2C(=N1)SC(C#N)=C2N 408603247 FIIZFKPXZGSTAW-LJQANCHMSA-N 489.384 5.590 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2Cl)N2C(=N1)SC(C#N)=C2N 408603643 GNHFIAKDYYDZAL-SFHVURJKSA-N 456.358 5.017 50 40 JKGB COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Br 408746257 DANZBWVDKFSDMU-WDZFZDKYSA-N 470.548 5.419 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc4ccccc4c3)cc2)cc1 408761654 KLAFPRRSEQNNHO-LFVJCYFKSA-N 461.521 5.711 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OCc2cccc(Cl)c2)c1 408809515 ODZDLNOQGGHNQL-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1 408817715 UJXBPLVKQCLTQO-GXDHUFHOSA-N 462.141 5.322 50 40 JKGB Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3F)c2C)ccc1I 408818265 ZVXSQGGGGBEDKJ-LDADJPATSA-N 499.327 5.692 50 40 JKGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 408838863 JLPCBQOEFMVOGA-DHRITJCHSA-N 478.917 5.479 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Cl)c1)C(O)(c1ccccc1)c1ccccc1 408890559 VPNOICKIDFQHMK-NDZAJKAJSA-N 470.956 5.305 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1)C(=O)Nc1cccc(Cl)c1 409057054 OQSJRUCSQKWBOY-LZYBPNLTSA-N 475.734 6.911 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1Cl 409074836 SJWVAIFDPIWSJW-HYARGMPZSA-N 460.917 6.628 50 40 JKGB CCOc1cc(OCC)c(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Br 409213919 VJBHBHNGXKKDPG-SSDVNMTOSA-N 471.804 5.142 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccccc1 409218855 LLQOLDGKKQETKZ-ODLFYWEKSA-N 465.303 6.009 50 40 JKGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 409230339 YIEQSIHOJSXLGS-DHDCSXOGSA-N 493.279 5.424 50 40 JKGB COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3ccc(-c4ccc(C)cc4Br)o3)oc12 409237938 YCKDQEZRZSWCHQ-BHGWPJFGSA-N 498.289 5.444 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)o3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2327177 VBGWDYCXXWFEHS-LQKURTRISA-N 487.629 5.684 50 40 JKGB O=C(O)c1cccc2c1N[C@@H](c1ccccc1F)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21 6445668 PTUQDKITXDSGSS-KMRIWGIYSA-N 498.963 6.471 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccc(F)cc1 9086536 OCULLFQCYMIUDB-USHMODERSA-N 473.577 5.323 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1)c1ccc(Cl)c(Cl)c1 9375195 XFDYLSQILSSPGC-NTFVMDSBSA-N 479.367 6.117 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCCOc1cccc(OC)c1 9704337 UMZJOTHDSXUMAP-CJLVFECKSA-N 472.541 5.406 50 40 JKGB N#C/C(=C\c1ccc(OCc2c(F)cccc2Cl)cc1)C(=O)Nc1ccccc1C(=O)O 12468982 DUDMKJUYEMRSIS-FOWTUZBSSA-N 450.853 5.302 50 40 JKGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 13939805 GMDVVPMKNLZXIQ-NTEUORMPSA-N 496.188 6.265 50 40 JKGB CCCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1Br 20195428 UDQXBYQMYICZRM-FSJBWODESA-N 482.216 5.310 50 40 JKGB O=C(N/N=C/c1ccc(Oc2ccccc2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 20243990 YRDVJLYCVHUHOT-AJBULDERSA-N 461.565 5.801 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 26123914 IPYABHVUBADGBK-STBIYBPSSA-N 458.945 6.235 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c(Cl)c1 59427293 RIJQYKGTAQMCEX-RWPZCVJISA-N 489.963 5.827 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)c1OCc1ccc(Cl)cc1Cl 59435327 SNCBABSUXRCXAL-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c1 98087417 KDKYRAFQMBZVCM-MOSHPQCFSA-N 474.391 7.159 50 40 JKGB COc1c(C(C)(C)C)cc([PH](=O)c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)cc1C(C)(C)C 100397060 CLFWKDYYVAJGEC-UHFFFAOYSA-N 486.677 7.404 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 106381106 DYIGRMZNTYLXKZ-JVWAILMASA-N 455.470 5.100 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccn2-c2ccc(Cl)cc2)c(C#N)c1C 408547161 SLJPAEISYCDNAL-LFIBNONCSA-N 463.946 5.268 50 40 JKGB CCOc1cc(OCC)c(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Br 408747990 WQGQQADLNSBAJV-ZROIWOOFSA-N 494.183 5.555 50 40 JKGB COc1c(Br)cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1Br 408752414 ALWKAEHEKVKLTE-SSDVNMTOSA-N 462.141 5.137 50 40 JKGB Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1 408802725 GOLGPNYUSJLJOJ-CJLVFECKSA-N 452.941 6.926 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Cl)c1OCc1ccccc1 408881338 MTCDHJPLNUNMAH-RQZCQDPDSA-N 498.322 6.035 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1c(C)ccc2ccccc12 408882664 NKLNLYSQVYCIMA-LFVJCYFKSA-N 480.995 7.489 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(C)cc1 408887809 RDEUYDIMJKUXPP-LGJNPRDNSA-N 457.313 5.294 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1 408891448 QPUCTTGPXVKVDW-DEDYPNTBSA-N 475.342 5.831 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)c2C)c(C)c1 408936786 PXGSUWXSQONTAA-RPPGKUMJSA-N 458.345 5.260 50 40 JKGB Cc1ccc(NC(=O)Cn2cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c3ccccc32)cc1 408967160 SSRDMKLUWUKNBK-CCVNUDIWSA-N 495.495 5.007 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2)cc1C 409019887 KSDJLRARIUTQTM-UVHMKAGCSA-N 470.356 5.392 50 40 JKGB C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 409040984 IWDANZJNRVXNFB-OGLMXYFKSA-N 484.353 5.440 50 40 JKGB Cc1ccc(NCC(=O)N/N=C\c2cc(C)n(-c3cccc(Br)c3)c2C)cc1C 409063190 IIFUQULUEBZDLW-ZMFRSBBQSA-N 453.384 5.036 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSCc3c(Cl)cccc3Cl)o2)cc1 409132717 JUESNJDSYZRTLA-RPPGKUMJSA-N 491.396 5.814 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 409211535 OCKNMRVPKGILPA-LSHDLFTRSA-N 450.303 5.404 50 40 JKGB CC[C@@H](C)Oc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 409251877 QUXMOGITIWXNQB-ATDKOCKZSA-N 497.311 6.199 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(O)cc1 409256821 NPRNTPZLYIWVBN-LFIBNONCSA-N 482.323 5.262 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1C 409273275 WTMSGDLWUBOIGB-NDENLUEZSA-N 489.959 5.529 50 40 JKGB Cc1cc(C)cc([C@H](N[S@](=O)C(C)(C)C)c2ccccc2P(c2ccccc2)c2ccccc2)c1 1857795014 HAEIDYNXHXDQJH-LWQYYNMXSA-N 499.660 6.203 50 40 JKGB COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@@H]1c1ccco1 874683 LMTPOXQJFYCTHO-RUZDIDTESA-N 485.565 5.239 50 40 JKGB N#CC1=C(O)O[C@](O)(c2ccccc2)[C@@H]([n+]2cccc3ccccc32)[C@@H]1c1ccc(Cl)c(Cl)c1 2272629 QAXHYFWAAMTCNE-CMTIAEDTSA-O 490.366 5.928 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C3Sc4ccccc4N3C(N)=C2c2nc3ccccc3s2)cc1 2401843 OJSDIGQSAJZHJM-JOCHJYFZSA-N 466.591 6.077 50 40 JKGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 3314554 JUVNFDQLHVBNTN-MWAVMZGNSA-N 465.553 6.084 50 40 JKGB CC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccccc1)N2 6074208 BGFCFSUMQMMXNS-YPOOPGCJSA-N 479.001 6.836 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(C)cc4C)c32)ccc1OC1CCCC1 8382720 MQCOFGRKTVNQBN-QHCPKHFHSA-N 456.546 5.242 50 40 JKGB CCOC(=O)C1=C(CSc2nc(-c3ccccc3)ccc2C#N)OC(N)=C(C#N)[C@@H]1c1ccccc1 8671971 YBQROXDQYKERMV-DEOSSOPVSA-N 494.576 5.037 50 40 JKGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C1/CCCCc2ccccc21 12617254 OGOMOPBMDJCJDB-COOPMVRXSA-N 467.598 5.273 50 40 JKGB Cc1ccc2c(c1)/C(=N/NC(=O)c1ccc(CSc3nc4ccccc4s3)cc1)C(O)=N2 12848413 PWJBIZCJLZPGHA-UHFFFAOYSA-N 458.568 5.633 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 13174409 WIGUHKJZBJRKFH-HSZRJFAPSA-N 498.435 6.103 50 40 JKGB N#CC1=C(SCC(=O)N(c2ccccc2)c2ccccc2)N=C2CCCC(O)=C2[C@H]1c1ccco1 13189467 PLIJRPALLUCRFH-AREMUKBSSA-N 481.577 6.647 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 13895151 YIZBNGWZGPOKEX-XDHOZWIPSA-N 466.415 5.528 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2ccccc2Cl)cc1 16309702 VESBDVVLXXAARK-UHFFFAOYSA-N 490.069 5.552 50 40 JKGB CCCCOc1ccc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1 16639156 CYDYLRJAGPIFIG-AFUMVMLFSA-N 461.400 5.589 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSc3ccccc3)c2C)cc1 20243684 VNNUIBHMQNQCIK-ZMOGYAJESA-N 456.409 5.407 50 40 JKGB CC(C)c1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 20247262 LTXOHZBUBSKKHA-CNVWFTDCSA-N 457.599 5.348 50 40 JKGB COc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1 28215922 KDSXYWXKDRYKPI-RPPGKUMJSA-N 476.429 5.793 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1 59116795 UQICPZWKGIVWAO-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1F 59292008 ZHDBOBAFEBZOFK-XDHOZWIPSA-N 461.449 5.257 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc3ncccc23)ccc1OCc1ccccc1Cl 96399866 VRPPXCKCQBZIOH-ZHZULCJRSA-N 469.928 6.021 50 40 JKGB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C/Nc1ccc(SC#N)c(Br)c1 101123664 BYOWOEWGIABNKB-LDADJPATSA-N 463.360 5.894 50 40 JKGB CCCCCOc1ccccc1CN1C(=O)/C(=N/NC(=O)COc2ccccc2C)c2ccccc21 103041305 VUZPDMYDAPATPX-CCFHIKDMSA-N 485.584 5.010 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCC(=O)Nc1ccccc1 107584100 NEOCCRSCZBCBDF-PDGQHHTCSA-N 495.348 6.069 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3c(Oc4nc(Cl)ncc4F)ccc4ccccc34)[nH]c2cc1C 408543426 PAHRVIPIWHYONR-GZTJUZNOSA-N 469.907 6.772 50 40 JKGB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)N2C(=N1)SC(C#N)=C2N 408608872 XEASCVKNZVBQGS-IBGZPJMESA-N 488.491 5.302 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1C#N 408771987 KMKNQNYJMPPBGC-RRAHZORUSA-N 488.591 5.122 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)c(C)c1 408793662 FZRKUNABUOSYLP-WSDLNYQXSA-N 486.369 6.062 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(OCc2ccc(C)c(C)c2)c1 408815413 WSZZHJKCCMUCKN-FYJGNVAPSA-N 491.385 6.199 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1cccc2ccccc12 408819449 SFOVKIPUZAYFMW-BWAHOGKJSA-N 462.524 6.832 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(C)c(OCc3ccc(Br)cc3)c(C)c2)cc1 408846401 NFFZVVCMDOFFHZ-VULFUBBASA-N 451.364 5.717 50 40 JKGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 408853497 OTQCYOIUUYQPSH-DXJNIWACSA-N 499.998 6.443 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccccc1Cl 408855040 BXBSKQHDRFSDIZ-MWLSYYOVSA-N 474.944 6.166 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccccc1C#N 408994377 ZDYXAVGWLKKTGO-CFRMEGHHSA-N 497.982 6.382 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 409201843 OMIMCIGJJNBNPR-QRVIBDJDSA-N 485.337 7.154 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1 409254962 JZMQMXJRYJGSFA-UDWIEESQSA-N 461.905 5.947 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2cc(C)ccc2C)cc1 409262353 HZNASDWFPIPALN-BKUYFWCQSA-N 473.960 5.828 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409373205 FUZQKSXSIUPXOC-KGENOOAVSA-N 466.541 5.660 50 40 JKGB COC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2201338 BLKACYKEWKUVFY-SAPNQHFASA-N 479.517 5.833 50 40 JKGB Cc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1Cl 2282620 HPDLIYGSHPIFPD-UVTDQMKNSA-N 464.890 5.763 50 40 JKGB N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 2300753 IKPPZFFCVXKFPV-UTDQILSNSA-N 494.403 6.058 50 40 JKGB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl 4486338 DDMOOPDMOXBPPY-DHDCSXOGSA-N 489.355 6.583 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 9057349 BBOUJINFBJSWAR-GZTJUZNOSA-N 496.306 5.975 50 40 JKGB CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(-c4ccccc4)cc2)C(C#N)=C(N)O3)cc1OC 9292510 GQSMVLXDMBTAMM-XMMPIXPASA-N 464.525 5.369 50 40 JKGB Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(Br)cc4)CC(=O)N3C2)cc1Cl 9693407 CDEYHKSVIZLJCG-QGZVFWFLSA-N 474.811 5.630 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OCc1ccccc1 13943707 ZNEHSBPGSARLMN-AJBULDERSA-N 480.564 5.860 50 40 JKGB Cc1c(/C=N/NC(=O)CCc2ccccc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 14134444 BROAOGQVOVTEDV-MUFRIFMGSA-N 464.396 6.388 50 40 JKGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OCc2ccccc2Cl)c1 15277342 BDGHERFNISOYKI-WOJGMQOQSA-N 493.903 5.390 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)c1nc2ccccc2s1 16185138 OWOMJNYTRUHPOU-FOWTUZBSSA-N 497.395 5.891 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl 28216067 KCQRLKGTFAEDTC-KBKYJPHKSA-N 480.848 6.438 50 40 JKGB CC1=C(C#N)C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2C)o1 33286686 ARKYCWBUMVRNLB-PXLXIMEGSA-N 456.929 5.743 50 40 JKGB N#C/C(=C/c1ccccc1OC(F)F)S(=O)(=O)c1cc(Br)ccc1Br 33783724 ZNTZIESZQZRIKH-GHXNOFRVSA-N 493.123 5.151 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 59272196 UVMHYBHPHJYCRV-DEDYPNTBSA-N 495.804 6.790 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc(C(=O)O)cc1 59335714 OGGTVEDIPXSVQA-IWIPYMOSSA-N 482.536 5.555 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Cl)c1 59536614 VXTQZYKSVQXVFY-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB N#C/C(=C/Nc1cccc(Cl)c1Cl)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 100712212 GOTJAWFJLCJBBM-QINSGFPZSA-N 490.371 7.353 50 40 JKGB CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1C(=O)CBr 199829749 HXUDOJFRJNEKFY-UHFFFAOYSA-N 450.173 5.649 50 40 JKGB CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OCc3ccc(Br)cc3)cc2)c1C 208532668 QYKYICFSTQIQDK-MOSHPQCFSA-N 464.363 5.089 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(OC)c1OCc1ccc(F)cc1 408570852 ZJESKCNWAMMBQW-NDENLUEZSA-N 457.480 6.221 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1Br 408581731 ZBINLRMFCNMOGE-WUXMJOGZSA-N 490.022 7.371 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(Cl)cc1Cl 408591483 UIPKGXMCZKDDKA-RWPZCVJISA-N 456.417 6.391 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSCc3cccc(Cl)c3)cc2)cc1 408771383 GIFBEPKMFJQUET-MZJWZYIUSA-N 482.005 5.049 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1 408793327 OLFILIZOQFBCIO-UDWIEESQSA-N 491.341 5.580 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2)cc1 408803394 OIMFNUHYFHBWRP-KGENOOAVSA-N 460.917 5.641 50 40 JKGB Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1 408838693 HEAOEIXYJPEQLV-NDZAJKAJSA-N 477.520 5.230 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1Cc1ccccc1F 408878882 DGERLAWLPYIKRJ-GIJQJNRQSA-N 469.343 6.586 50 40 JKGB Cc1cc(C)cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)c1 408883833 WVNNENBWWIZTCT-LPYMAVHISA-N 475.386 6.499 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1 408887857 RQHSAOBBWZYQPN-OQKWZONESA-N 482.561 5.770 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cccc(OCc2cccc3ccccc23)c1 408900224 UGOUIHBTCWJTIB-HZHRSRAPSA-N 452.941 6.926 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 408937160 MOLLKFKNYBYGHO-NDENLUEZSA-N 495.362 6.295 50 40 JKGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 408958046 XGVJAYFJYLHIMO-GWJWVUNLSA-N 475.814 5.958 50 40 JKGB CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 409014377 PEKVGRHINRGIMB-QPSGOUHRSA-N 494.998 5.567 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1OCc1cccc2ccccc12 409063431 BSTNHUYDPNYBRZ-KOEQRZSOSA-N 490.559 6.407 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409070887 HGBABEKWQVCGBE-PXLXIMEGSA-N 469.497 5.457 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OC)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409083189 UQLRRKLNSJPIQN-DEDYPNTBSA-N 480.442 7.207 50 40 JKGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1 409121851 YGQPGTRLVMVOCE-VUTHCHCSSA-N 454.595 6.360 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2)cc1OC 409313246 NQNANTOMSWWOIL-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB O=C(CNc1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 409383174 ZZVJQLAPEXMTRX-LGJNPRDNSA-N 472.770 5.244 50 40 JKGB Cc1sc(-c2ccccc2)nc1-c1ccc(/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1 1703354 AAFHABKFHLSVLJ-NDZAJKAJSA-N 494.491 7.820 50 40 JKGB Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCc3ccccc3)N(c3ccc(Cl)cc3)C2=O)c1 1790425 LAKLKASKMCQIAK-FYAMCCBRSA-N 488.012 5.391 50 40 JKGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccccc1Br 3371100 CKHNDFCNJXRMIJ-JFLMPSFJSA-N 485.341 5.812 50 40 JKGB COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)c1 6060102 DLRMHHMSUGPDQI-DTQAZKPQSA-N 495.611 5.053 50 40 JKGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 8721524 DSEKMELOXDXOID-JYRVWZFOSA-N 482.161 5.875 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc2ccccc12 9057327 UPEVQEPJFYJWJL-XQNSMLJCSA-N 463.493 6.181 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1 9057501 BDQJEJQWPOJVEL-WOJGMQOQSA-N 469.413 5.021 50 40 JKGB N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@@H]1c1cccc(OCc2ccccc2)c1 9693514 AOFLHJRMEUSSKV-XMMPIXPASA-N 471.557 5.624 50 40 JKGB C/C(=N/Nc1ccc([N+](=O)[O-])cc1)c1ccc(/C(CCl)=N/Nc2ccc([N+](=O)[O-])cc2)s1 12362215 BEKAUKAWYUQPNA-GMYDJWLDSA-N 472.914 5.456 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(CC)cc3)nc3c(C)cccn3c2=O)cc1 13807488 NIIKRMVXBFHXID-HEHNFIMWSA-N 494.551 5.302 50 40 JKGB Cn1c2ccccc2c2cc([C@@H]3C(C#N)=C(N)N(c4ccccc4[N+](=O)[O-])C4=C3C(=O)CCC4)ccc21 13882129 RZMQPYQSCYMVCC-HHHXNRCGSA-N 489.535 5.544 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 14131385 HQNRSHCGCYENEZ-MTJSOVHGSA-N 482.805 7.453 50 40 JKGB Cc1ccc(-c2csc(=S)n2CC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 14361299 DFSORSGYJVXAGJ-UHFFFAOYSA-N 455.649 5.008 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c([N+](=O)[O-])cc1OCc1ccccc1 16194883 JRXALKRYKVEEKI-QRVIBDJDSA-N 479.492 5.881 50 40 JKGB COc1ccc(/C=C(/C#N)c2nc(-c3cc4cc(Cl)cc(Cl)c4oc3=O)cs2)cc1OC 16227106 HFPCCLHUYUMFFA-RZNTYIFUSA-N 485.348 6.305 50 40 JKGB Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)COc3ccccc3)c2C)c1 20243709 IPPDKOBOWGXJLO-DHRITJCHSA-N 454.368 5.003 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccccc3Br)c2C)cc1 28216088 RXIDMGURDGTVEZ-DHRITJCHSA-N 470.436 5.549 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 58900718 DLHLWMDVAVEBJO-ZMOGYAJESA-N 456.727 5.119 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1cccc(Cl)c1 59101768 OYTOCSZLRXXDEL-RPPGKUMJSA-N 476.747 5.315 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 59334810 ULCJGXLTSPYLSO-MFOYZWKCSA-N 494.216 6.059 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(CSc2ccccc2)cc1 59473483 FSHILPKVHIWBAS-VUTHCHCSSA-N 452.579 6.322 50 40 JKGB CCN(CC)c1ccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc4cccnc34)c2C)cc1 96477442 NZJOBVQBOPOVBQ-YKQZZPSBSA-N 469.589 5.018 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c(Br)cc1OC 98086640 BTDSYHOQOLGBAL-DHRITJCHSA-N 467.319 5.520 50 40 JKGB CC[C@H]1CCCCN1C(=O)CS/C(Nc1ccccc1F)=C(\C#N)c1nc2ccccc2s1 102127078 BHBXRKZONOAYDG-QYODFIHFSA-N 480.634 6.264 50 40 JKGB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 108989957 VSXAZKWTYGCUJE-ATVHPVEESA-N 496.350 5.565 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@H]1[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]12 170621505 SHGQHJXEYIXIDA-SACWQSLWSA-N 467.572 6.307 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccc(Cl)c(Cl)c1 408567417 NAKUYNHTAHNOKL-MFOYZWKCSA-N 482.342 7.051 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cccc(Cl)c1 408604512 JYONJXCFISDTDK-GZTJUZNOSA-N 458.905 5.307 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(Br)cc3)c2C)cc1Cl 408691611 IKUICKJAJQLFTJ-RPPGKUMJSA-N 473.802 5.381 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(Cl)c1 408742068 USDNHPMOPAQPOH-VULFUBBASA-N 462.893 5.680 50 40 JKGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2I)cc1 408744052 WBTGHJBFDTZASZ-MOSHPQCFSA-N 494.332 5.724 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 408797091 FXLHTIGQWBPZMP-KGENOOAVSA-N 487.386 7.580 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)c1 408797286 QSJGMPJGRNPAQG-KEBDBYFISA-N 495.362 6.433 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1I 408798863 XJSAMDOFCFWFBG-IZZDOVSWSA-N 473.097 5.152 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)cc1 408801159 RTZBOEUXVYSRIF-PXLXIMEGSA-N 468.940 6.626 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc2c(c1)OCO2 408812306 LNMFDPWQDOBFAB-DJKKODMXSA-N 476.916 5.510 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Cl)c2)c1 408814277 OTTDRONQPLXNTJ-HZHRSRAPSA-N 466.968 7.235 50 40 JKGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1 408836597 SUTNYDSFCWSKAT-LTGZKZEYSA-N 491.385 6.363 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)cc1C 408853738 XFYNCZKYSUAJHY-UDWIEESQSA-N 479.349 6.330 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(Br)c2)c1 408882947 OTAXTCUGVNBCLP-CIAFOILYSA-N 479.805 6.856 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408886843 JEOWVCFCWVSLIY-XMHGGMMESA-N 497.894 6.166 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408889317 CJNXVTCNWKWWGK-LZYBPNLTSA-N 492.189 7.425 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408891492 RJLDUVHEDAOZNL-OGLMXYFKSA-N 469.497 5.490 50 40 JKGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408906715 DJCDSOMNPWOTIR-MOYYISEASA-N 474.344 5.061 50 40 JKGB CCOc1ccc(N([C@H](C)C(=O)NN=C2CCCCCCCCCCC2)S(C)(=O)=O)cc1 408921493 IEURXBYDMVYKHW-HXUWFJFHSA-N 465.660 5.017 50 40 JKGB CC[C@@H](C)Oc1c(Br)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC 408961239 LOEJSSIWEMGFLF-MIDUAYCOSA-N 490.310 5.053 50 40 JKGB N#C/C(=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)C(=O)NCc1ccccc1 409085988 XUDKFLCDXFJVJY-WQRHYEAKSA-N 467.403 5.629 50 40 JKGB N#C/C(=C\c1cn(CCOc2ccccc2Cl)c2ccccc12)C(=O)NCc1cccs1 409194834 NFXCMVQHTPZJHV-NBVRZTHBSA-N 461.974 5.659 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 409230881 GXIAEWWHJXXZNX-MNDYBZJGSA-N 481.354 6.558 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)o1 409245909 ASOYOLPEJFKFHT-LCYFTJDESA-N 457.364 5.428 50 40 JKGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 409256627 MKLYADFSZSJASS-MUFRIFMGSA-N 469.412 6.563 50 40 JKGB Cc1cccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c1 409364197 NMEHBJBXTKCEIJ-DHRITJCHSA-N 457.755 5.754 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 409393951 UAEQGTVEPQWAQV-MFOYZWKCSA-N 499.311 5.818 50 40 JKGB CC(CC(C)C)=NO[Si](ON=C(C)CC(C)C)(ON=C(C)CC(C)C)ON=C(C)CC(C)C 575135319 HSOQMKFKSDAYLR-UHFFFAOYSA-N 484.758 7.176 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc(Br)cc1F 867484 BCFIDFUORLWUIG-UKTHLTGXSA-N 456.227 5.302 50 40 JKGB N#C/C(=C\Nc1ccccc1OC(F)(F)[C@@H](F)Cl)c1nc(-c2ccc3c(c2)OCO3)cs1 1801058 FPAMCLVBGZTZAX-CWUFLNSKSA-N 479.867 6.021 50 40 JKGB CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 1895181 HFOZWIJSRUEXAY-JVWAILMASA-N 476.005 5.393 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)c1 2194077 ZAPKLNBDKWUWRW-YMGIJWJESA-N 457.530 5.199 50 40 JKGB COc1ccc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(Cl)cc1 2768398 RUSDJUYRFKGANO-RCZVLFRGSA-N 470.960 5.521 50 40 JKGB CC(C)N1C(=O)/C(=N\NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c2ccccc21 6171677 HPKYOCWTDADMBW-VYIQYICTSA-N 463.990 5.521 50 40 JKGB CCCCOc1cccc(N/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c1 9122185 JLMBOWDCIYPDLV-SAPNQHFASA-N 488.525 5.980 50 40 JKGB COc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Cl 9295774 BYOYQTZVMQWSPA-KIBLKLHPSA-N 468.888 5.260 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc(F)cc1 9762835 SBKOYHKIQIJFGQ-MFKUBSTISA-N 482.631 5.755 50 40 JKGB Cc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)c3c[nH]c4ccccc34)N(c3ccccc3)C2=O)c1 11851790 GEKLLKZHXSSATN-YKMWHWIESA-N 463.562 5.786 50 40 JKGB Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/C=C3\N(C)c4ccccc4C3(C)C)cc12 12563813 ZOKWXDRDOGZXDF-ZQPJOMHKSA-N 455.587 5.423 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2F)c(Br)c1)c1ccc(C(=O)O)cc1 33651534 JFFNJUNFYWOMII-ODLFYWEKSA-N 452.279 5.930 50 40 JKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OC 33683661 WSIUPKIALGBQOQ-QNGOZBTKSA-N 488.547 6.136 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccccc1F 59117143 WXOGALJZZPHVOA-PDGQHHTCSA-N 451.295 5.713 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 59336102 SOTOESDHODQROG-ATVHPVEESA-N 464.327 6.681 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)c1 59536130 COSOZENDFYMSNU-HZHRSRAPSA-N 452.941 6.926 50 40 JKGB N#CC(C#N)=C1C=C(c2ccccc2)OC2=C1CCC/C2=C\c1ccc(N2CCOCC2)s1 96305807 TVNSLMYJOKBNRC-HMMYKYKNSA-N 453.567 5.821 50 40 JKGB N#C/C(C(=O)N1CCCCC1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 100911112 BXIOCOIJGFEVJU-AZJLSSPBSA-N 486.424 5.432 50 40 JKGB N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)N=C2CCCC(O)=C2[C@H]1c1ccc(Cl)cc1 102612203 IDVLGIAHLVDSPV-QFIPXVFZSA-N 484.408 6.635 50 40 JKGB CN(C)c1ccc(NP(=O)(Nc2ccc(N(C)C)cc2)N(CCCl)CCCl)cc1 104067955 OSMMJSUOYLUACI-UHFFFAOYSA-N 458.374 5.230 50 40 JKGB CC(C)C1=C[C@]23CC[C@@H]4[C@](C)(C(=O)Cl)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@@]1(Cl)C(=O)OC(=O)[C@]31Cl 104116313 FDMRWYBACKCPHA-LVKQEUEQSA-N 487.851 5.615 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Cl)c1OCc1ccccc1Cl 107999741 GMCGJQFHBMTLLU-ODLFYWEKSA-N 478.379 7.220 50 40 JKGB Cc1ccc(CC(=O)N/N=C\c2cc(C)n(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c2C)c(C)c1 216047359 AYSKGLYRNXNDKB-YKQZZPSBSA-N 480.568 5.979 50 40 JKGB CC(C)N1c2ccc(/C=N/NC(=O)COc3ccc(Br)cc3)cc2[C@H](C)CC1(C)C 260572472 VWJXZFYQPSLUSG-OXVLKEGXSA-N 472.427 5.479 50 40 JKGB CCCCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(C(=O)OC)cc1 408539538 XDBRYCBYQPGSRR-RGEXLXHISA-N 485.378 5.740 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)O)cc1 408579862 KSPLWORZSNHWMO-YBFXNURJSA-N 468.336 6.733 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)cc1 408747903 VNPVIYALARJSTN-RGEXLXHISA-N 464.363 5.801 50 40 JKGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 408775064 YKQRWEVXMUKNDS-TURZUDJPSA-N 498.048 5.373 50 40 JKGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 408780000 PMMXHEXCGPQVLI-SGWCAAJKSA-N 498.048 5.277 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)cc1 408795317 VAKYMXDHFLTIOE-CIAFOILYSA-N 465.380 6.989 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccccc1C#N 408795577 VSOAEPQMEOGDRI-RGVLZGJSSA-N 473.916 5.441 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1ccccc1Cl 408811846 RWBKTURZRZJFCM-FWMOMEHNSA-N 452.982 5.920 50 40 JKGB COc1cc(OC)c(OC)cc1/C=N\NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 408818327 ZZBUGWNINUHHOC-MIXAMLLLSA-N 469.541 5.242 50 40 JKGB O=C(/C=C/c1ccccc1)NNC(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 408838591 GOIVYSWLGPDBQN-XNTDXEJSSA-N 475.957 5.281 50 40 JKGB CCOc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 408854784 BEFFTWKWOHNDNR-CEUNXORHSA-N 453.542 5.624 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408859951 WAGKNTMSARQJNL-WCMJOSRZSA-N 491.418 7.035 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2F)c(Br)c1)C(=O)Nc1ccc(O)cc1 408866810 IQLJHBVPTJJBFX-WOJGMQOQSA-N 451.295 5.430 50 40 JKGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1Cl 408888342 UIROOGGXPMSBJN-MDWZMJQESA-N 452.135 5.866 50 40 JKGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(CSCc2ccccc2)cc1 409001005 ZQTTUWIRHCXDEQ-MTDXEUNCSA-N 488.613 5.782 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1 409038665 AMDRKXHRPCNTIS-DEDYPNTBSA-N 489.959 5.610 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1OCc1cccc(F)c1 409073033 FUWDQLVWVRFEJT-FYJGNVAPSA-N 458.489 5.393 50 40 JKGB CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C2=C1CCCC2=O 409148042 WZCSTVRZRNJABX-JOCHJYFZSA-N 454.357 5.302 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccccc4C#N)c(OCC)c3)cc2c1 409187344 PEBYOOMWAVZVHF-LQNQUEJISA-N 483.524 5.445 50 40 JKGB Cc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)c1 1746906 SWIOFPRFTQECTB-CVKSISIWSA-N 468.026 5.655 50 40 JKGB N#CC1=C(N)Oc2c(sc3ccccc23)[C@H]1c1ccccc1OC(=O)c1cccc(Cl)c1 1825485 NSUBUUPEFBETOO-NRFANRHFSA-N 458.926 5.992 50 40 JKGB C=CC[n+]1c(-c2ccc(Br)cc2)csc1NNC(=O)c1ccc(Br)cc1 1958697 MFJZYPFKSFVPJS-UHFFFAOYSA-O 494.232 5.171 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 9233885 SYDQRWOLEHUYJB-JVWAILMASA-N 496.423 5.874 50 40 JKGB COc1ccc2ccccc2c1[C@H]1CC(=O)N2CN(c3cccc(Cl)c3C)CSC2=C1C#N 12250999 ATBWTYKUAFYQMV-IBGZPJMESA-N 476.001 6.030 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1-n1cccc1 15223897 LXUFZWFOLOEJBI-WPWMEQJKSA-N 474.358 5.583 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccc(C)cc1 20082070 JPCISTLFINPRGV-RUZDIDTESA-N 473.598 5.101 50 40 JKGB Cc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 28217038 OYJOSCNWMMCTTL-LGJNPRDNSA-N 480.848 6.687 50 40 JKGB CC/C=N/NC(=O)COc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1 32929383 NXKRWAFJJQGSJJ-CCVNUDIWSA-N 488.385 6.222 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 35074462 YVTXHFKJGUOBBB-JCMHNJIXSA-N 450.450 6.089 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)Sc1nc2ccccc2s1 35145838 UYHSBMZTZWLHQU-DEDYPNTBSA-N 458.011 7.609 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1 59201805 ROJKBYFSKCQVKX-LPYMAVHISA-N 475.386 6.499 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 59536490 NLLXORXUTRHFHA-VULFUBBASA-N 471.326 5.330 50 40 JKGB CCCCCCCCC(=O)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1 97951195 CVDVCILWKAOPTR-UHFFFAOYSA-N 458.602 5.738 50 40 JKGB CCCCCCCCCCCC(=O)Nc1ccccc1C(=O)NNC(=O)CSCc1ccccc1 102033846 KNJYUZORQCWYKT-UHFFFAOYSA-N 497.705 6.240 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 408579325 FQXLAMZEDSEVDN-LDADJPATSA-N 474.365 6.224 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)c1ccc(Cl)cc1 408581568 XYHYRHRDXBXXCV-GZTJUZNOSA-N 457.744 6.728 50 40 JKGB N#C/C(=C\c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)C(=O)Nc1cccc2ccccc12 408753338 LZPYIZYQPRYRHI-XSFVSMFZSA-N 499.504 5.061 50 40 JKGB CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc1OC 408754508 RCOWXPBTSMIGFK-VCHYOVAHSA-N 498.320 5.397 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)COc3ccc(-c4ccccc4)cc3)c2C)cc1 408777192 WPESBKXNXQTLIW-DXJNIWACSA-N 495.579 5.467 50 40 JKGB N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1 408777569 CHJQFXQSROKXFA-SDXDJHTJSA-N 492.431 7.286 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)Nc1ccc(O)cc1 408803213 MNKIMCVNDZMJPF-HMMYKYKNSA-N 454.913 6.323 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccccc1F 408810733 LDFLOCCUAGNVKX-YVLHZVERSA-N 469.285 5.852 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(OCc2ccccc2)c1 408819565 XTWPSDJMQMXAAU-CPNJWEJPSA-N 463.331 5.582 50 40 JKGB O=C(N/N=C/C=C/c1ccccc1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 408845860 SAIMCQMNYOGYHL-ZAHGHWQKSA-N 459.958 6.236 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1ccccc1F 408868326 LYDFREDKLFJZLJ-KGENOOAVSA-N 456.904 6.757 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(F)(F)F)c1 408868727 AZDZPVLBKMFXRZ-LDADJPATSA-N 467.403 5.738 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Cl)c1OCc1ccccc1 408885089 ZYYXFEURXNGJPO-RDRPBHBLSA-N 473.960 5.872 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(Cl)c2)cc1 408890283 QUXLGEOYTORWRE-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(Sc2ccc(C)cc2)o1 408913470 VAAQRIRGVOYEEW-ATVHPVEESA-N 467.388 6.610 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1Cl 408982554 HPTUPTQPCHVABF-NVMNQCDNSA-N 471.771 7.080 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C\c1ccccc1OCc1ccc2ccccc2c1 409016211 FAAWVMIICBTBEK-MNBJERMJSA-N 461.521 5.496 50 40 JKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)C(=O)Nc1ccc(Br)cc1 409023796 QBFSMZREJRPZIX-QBFSEMIESA-N 475.820 6.861 50 40 JKGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 409047755 PJVOAXGRKPWVRJ-DYTSNJPISA-N 491.429 6.458 50 40 JKGB C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1C 409048225 RTHHWBLZPGIQLB-OQLLNIDSSA-N 474.152 5.078 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1)c1nc2ccccc2o1 409049616 XHYRVHYEUASQMN-SFQUDFHCSA-N 474.314 5.672 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)c(Cl)c1 409123233 AWRQHYHRQVCXJF-QHCPKHFHSA-N 485.367 5.786 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)cc2c1 409187712 UDGFSEVSRGMGIS-YSMPRRRNSA-N 459.458 5.083 50 40 JKGB O=C(NN=Cc1ccccc1OC(=O)c1ccccc1)c1cccc(NC(=O)c2ccccc2Cl)c1 409226560 UOZPVVLMUVASGA-UHFFFAOYSA-N 497.938 5.575 50 40 JKGB Cc1c(/C=C(\C#N)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 409352322 YETWLNIQPDPOFC-CPNJWEJPSA-N 451.784 8.022 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(OC)c1OCc1ccc(Cl)cc1 409392271 ORDYWCALBQYBQW-BKUYFWCQSA-N 485.971 6.605 50 40 JKGB O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1ccccc1 409395091 JUIGSOYSXUQWLM-UHFFFAOYSA-N 493.950 6.471 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 1827137 UGEWRTAAAHMGKY-LGJNPRDNSA-N 490.460 5.812 50 40 JKGB O=C(NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1c2ccccc2S[C@H]2C=CC=C[C@H]21 2280844 WSGJPXYPWJXVJQ-GGAORHGYSA-N 490.592 5.718 50 40 JKGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@H]1c1ccc(C(C)C)cc1 2309588 CMUUEDKHKFIYNA-PKTZIBPZSA-N 491.613 5.377 50 40 JKGB CC(C)c1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccccc2)cc1 3176277 YIDJGBITJRDTNA-VUTHCHCSSA-N 485.609 5.309 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OC)c3)n2)cc1 7060303 WYZCWOBPCBDHOX-HYARGMPZSA-N 454.551 6.470 50 40 JKGB CCCCCCC/C(C)=N/NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 8427143 LRHJFOLKPWOCRF-XTCLZLMSSA-N 457.640 5.351 50 40 JKGB O=C(NN(C(=O)Nc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1 8754261 VNGABRUFNQGUNT-UHFFFAOYSA-N 483.380 6.500 50 40 JKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3cc4oc5ccccc5c4cc3OC)n2)cc1 9144431 CCGZIDKBGPIBQA-OBGWFSINSA-N 467.550 7.093 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCc1ccc(Cl)cc1 9259125 BYRZZCVUTOIRSN-PXLXIMEGSA-N 490.962 6.731 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1cccc(C(=O)O)c1 9262926 DVUSSRMXHUNMID-WSDLNYQXSA-N 456.498 5.135 50 40 JKGB Cc1ccc([C@H]2C(C#N)=C3SCN(c4ccc(C)cc4)CN3CN2c2ccc(C)cc2)cc1 12250569 VUWIUKWAIFFTRA-MHZLTWQESA-N 452.627 6.336 50 40 JKGB N#CC1=C2SCN(C3CCCCC3)CN2C(=O)C[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 20348307 LCILILJBZORXFS-DEOSSOPVSA-N 494.060 6.267 50 40 JKGB COc1ccc(CC(=O)N/N=C(/C)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 22706281 VOGQLROELFPHAT-MBTHVWNTSA-N 470.356 5.337 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1 59224676 BLLBMRPIFRZDTB-DEDYPNTBSA-N 495.804 6.790 50 40 JKGB CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(OCCC)c1 96399877 FYEREHZMNYGNBR-PYCFMQQDSA-N 456.542 6.602 50 40 JKGB Cc1ccc([C@H]2C(C#N)=C(SCC(=O)N3c4ccccc4C[C@@H]3C)N=C3CCCC(O)=C32)o1 102867593 OANGPARWQJRFMP-IZHWHUGBSA-N 459.571 5.568 50 40 JKGB CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2)cc1OCC 105995580 IWUURDZBHPAVID-DIBXZPPDSA-N 489.454 6.280 50 40 JKGB CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C/C(=N\NC(N)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118929300 QWWXGNJMFCGJLT-ZQKZGUBKSA-N 467.742 7.464 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OC 408539254 USCQUJITMMPORI-MOSHPQCFSA-N 485.422 6.579 50 40 JKGB CCCCCCOc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2)cc1OCC 408539610 IQJKPEBUCCQWJO-UQQQWYQISA-N 461.400 5.500 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)c2C)cc1C 408552700 UTKPXAHETWOEFP-FYJGNVAPSA-N 454.599 6.069 50 40 JKGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c1C 408592545 ZBXWEIIYWMSPDN-RDRPBHBLSA-N 459.590 5.261 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 408745508 NAYMHXMWAJCFTI-KQWNVCNZSA-N 482.967 7.017 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 408761336 DRQQHNDVZXFLRJ-WQRHYEAKSA-N 453.325 6.127 50 40 JKGB N#C/C(=C/c1cc(Cl)cc(Br)c1O)C(=O)Nc1cccc(Br)c1 408762550 PEFCCVCECRIHPY-WMZJFQQLSA-N 456.521 5.116 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3c(C)ccc4ccccc34)ccc3ccccc23)cc1 408808379 FWDULEHYRYSWLI-NHFJDJAPSA-N 496.610 7.989 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OCc1ccc2ccccc2c1 408818629 PVIIPFINIUWTCD-ONUIUJJFSA-N 492.550 6.841 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1Cl 408984938 ULHMTKMWYVYUAV-AUWJEWJLSA-N 467.736 5.443 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OCc1cccc(F)c1 408992964 VHIAVBMCFLWTKC-LPYMAVHISA-N 490.962 6.649 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C\c1ccc(OCc2ccc(Br)cc2)cc1 409019227 QBCCRLQNTNFBKV-MBTHVWNTSA-N 490.357 5.105 50 40 JKGB CCOc1cccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1 409038353 OLPQLAACVUIOGI-JFLMPSFJSA-N 476.989 6.370 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(C)cc2)cc1 409054808 GQYNACKIEMSRIM-UDWIEESQSA-N 481.379 6.825 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2ccccc2o1 409089110 HGHTVFAXACWJOK-NTEUORMPSA-N 485.805 7.265 50 40 JKGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)Cc2ccccc2)c(C)c1 409146917 VOWOMAIFJNPKQD-UXHLAJHPSA-N 499.636 5.106 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409201264 KXJVRFGPYKLYDC-IUXPMGMMSA-N 489.742 7.207 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc(F)c1 409203221 VWUUSKYBXKEABL-GRSHGNNSSA-N 497.320 6.538 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccccc1 409203337 WNSONZDJEYINGC-NDENLUEZSA-N 479.330 6.399 50 40 JKGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1ccccc1Cl 409254100 HQQRPWGPXXXZJK-GHRIWEEISA-N 466.324 5.557 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1C 409260358 PFDGXPBUNWMKLR-ODLFYWEKSA-N 494.378 6.173 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)ccc1OC 409311239 YWZOEPAOKBUQMH-QDTIIGTASA-N 491.346 5.883 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cccc(OCc3ccc(Br)cc3)c2)ccc1OC 409334585 UBOJIFFHSQPJOO-YSMPRRRNSA-N 483.362 5.199 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)cc(OC)c1OC 1060614 ZAPKEVJVMDHBKV-QFIPXVFZSA-N 499.489 5.036 50 40 JKGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 1906139 JCYLQXNIWXJJTK-GZTJUZNOSA-N 498.377 5.746 50 40 JKGB O=C(N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1)Oc1ccc2ccccc2c1 3196118 HYPLOMFIBVMZRQ-HRLZMPCXSA-N 487.987 6.031 50 40 JKGB CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OC)c(CSc3ccccn3)c2)cc1 8396573 COKKPYAUTYMSCQ-OGLMXYFKSA-N 463.603 5.254 50 40 JKGB C(=C\c1ccccc1)\C=N/c1ccc(SSc2ccc(/N=C/C=C\c3ccccc3)cc2)cc1 8665665 UTZIQCCOURHJMP-FBYWYEAFSA-N 476.670 9.317 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9057403 PBYGESLVAHQIIS-YRNVUSSQSA-N 473.228 5.615 50 40 JKGB Cc1c(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc2n1Cc1ccccc1Cl 9203309 OFIAORGLZMNAOH-RWPZCVJISA-N 494.820 6.107 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1cccc(Cl)c1 12555935 XTGFLBZZBIVOJL-VCHYOVAHSA-N 493.903 5.477 50 40 JKGB O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1ccccc1F 17201306 GCEMIYZXPHZNKT-ZMFRSBBQSA-N 452.942 5.120 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)c2C)cc1 19866787 RMDQNKHMADAXDS-BIZUNTBRSA-N 476.624 5.725 50 40 JKGB Cc1c(Br)c(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccccc1 20243751 BWDZSYCUSFMJHY-WJNWYLSZSA-N 490.854 6.141 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(F)c2)c1C 59201421 NRMSFDYIZPCNNS-UDWIEESQSA-N 479.349 6.330 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1 59224624 UTTGYLSBIZIOPR-YBFXNURJSA-N 481.777 6.536 50 40 JKGB Cc1nc([C@@H](O)[C@H]2CCCCN2C(=O)OC(C)(C)C)sc1CO[Si](C)(C)C(C)(C)C 217390519 IKLGLYASSRKEHR-AEFFLSMTSA-N 456.725 5.796 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)cc21 223505955 VZRPYAWXAOHYCK-QDTIIGTASA-N 474.432 6.241 50 40 JKGB Cc1cc2c(cc1/C=N\NC(=O)COc1cccc(Br)c1)[C@H](C)CC(C)(C)N2C(C)C 223595439 OOSNONCYBVTRCS-LLMGEQIISA-N 486.454 5.787 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(I)c1OCC 408585431 DNNGWEOQJRBIMS-AUWJEWJLSA-N 488.152 6.460 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccccc1Cl)C(=O)N1CCN(c2ccccc2)CC1 408786003 DOHJFBQAGVYCHJ-NKFKGCMQSA-N 457.961 5.175 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 408788984 GWIQSSRDTBNOBM-LDADJPATSA-N 463.877 5.381 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)c1 408812393 SMUAJZXARXVDEZ-LGUFXXKBSA-N 468.556 7.426 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 408868813 OYKONXUULRACIP-WOJGMQOQSA-N 480.293 5.633 50 40 JKGB N#C/C(=C\c1c(Cc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1 408881127 HXQJWXVGJSNGOB-RCCKNPSSSA-N 457.360 7.283 50 40 JKGB CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cccc2ccccc12 408883224 UHEQEOWICBWLJK-FSJBWODESA-N 476.168 5.527 50 40 JKGB Cc1ccc(COc2ccccc2/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1 408904526 KWZVTPKMVKVKEH-QFEZKATASA-N 452.352 5.801 50 40 JKGB N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1nc2ccccc2s1 408926892 YZKKGMCAPKRJDZ-HKOYGPOVSA-N 468.581 8.246 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1OCc1cccc(Cl)c1 409074973 VYXVPXMJOWOZFO-HYARGMPZSA-N 488.971 6.297 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409219500 RDRHYROADHRVPZ-XMHGGMMESA-N 475.932 5.302 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)c(C)c1 409267625 WNLLQQHIVZFKON-YBFXNURJSA-N 494.378 6.173 50 40 JKGB COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)c3ccccc32)o1 409393702 SBYBLBBJMNVZPV-KBKYJPHKSA-N 470.312 5.140 50 40 JKGB COc1cc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1c(C)cc(C)cc1C 647844 DEERVTMUNPNKES-FIPFOOKPSA-N 478.596 5.793 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1cc(C)cc(C)c1 1107259 FEICKRDGLLCUEV-VWLOTQADSA-N 458.558 5.342 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCC(=O)c3ccccc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC 8934514 NOBVXUTUNBWGPQ-RUZDIDTESA-N 488.609 5.385 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(Br)c1O 9087056 OIFWRNVCHPCWBB-MLPAPPSSSA-N 492.192 6.113 50 40 JKGB CC1CCN(C(=O)[C@@]23CC[C@@](C)(/C(=N\NC(=O)c4ccc(Br)cc4)C2)C3(C)C)CC1 9455678 YGRMXTYHNVJECM-YKAJUHLZSA-N 474.443 5.010 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1nc2ccccc2s1 12585761 XDERAKHZESUDLY-GZTJUZNOSA-N 481.802 7.355 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)o1 14151745 MNTUHWLSKXREHK-XNTDXEJSSA-N 458.499 5.521 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)c(C)c1 20195308 DBWKSRMZDOGWLP-WCMJOSRZSA-N 491.418 7.035 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1OC 20228208 DRDMBKGQGQBLMJ-JFLMPSFJSA-N 490.357 5.445 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(C)n1-c1cccc(Cl)c1Cl 33160891 VEGBLEOUAGDMAI-QDTIIGTASA-N 467.356 5.478 50 40 JKGB C/C(=N\NC(=O)COc1ccccc1C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 58917062 WKDKNAXGUMCVOA-ZOLINOHKSA-N 469.560 5.880 50 40 JKGB N#C/C(=C/Nc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 100601041 UFHXFQRNUIHJMW-XFXZXTDPSA-N 450.829 6.367 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc2c(cc1Cl)N(C)C(C)(C)C[C@@H]2C 208245755 KWLDUHUHLNSMGH-XIXVAHAYSA-N 478.818 5.597 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c3ccccc32)c1 408541148 BRFQWECTUCZNLU-STZFKDTASA-N 483.955 5.984 50 40 JKGB O=C(NNc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 408612369 YGUZACOONBJHNY-KRWDZBQOSA-N 470.356 5.069 50 40 JKGB CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)ccc1OCc1ccc(Br)cc1 408691480 AESUKVGBHQHGLG-BKUYFWCQSA-N 488.385 6.384 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc2)cc1 408766121 ZPHAEXHPJRVMKA-OQKWZONESA-N 468.534 5.462 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(Cl)cc1 408781160 AGGWQDAKOCQKBT-ODLFYWEKSA-N 473.798 5.842 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408793291 DSSOPFNORBAXDC-VCHYOVAHSA-N 493.903 5.477 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1cccc(C)c1 408793309 DTWHKJUEAYPNRF-OEAKJJBVSA-N 474.988 6.734 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(Br)c2)cc1 408805364 ALIXTWHEDOBNBO-OEAKJJBVSA-N 489.413 6.753 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC#N 408853130 PZQWTPQILHCJBS-GTWSWNCMSA-N 478.552 5.518 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1Cc1cc(C)cc(C)c1 408872842 JWJJBHRBUUYWFM-DJKKODMXSA-N 499.825 7.409 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccccc2Cl)cc1 408895470 KRLXKEXAFZAIDE-DEDYPNTBSA-N 476.916 5.260 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1OC 408900826 XTXZNNWLFVKBND-OQLLNIDSSA-N 461.743 5.530 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1cccc2ccccc12 408910526 GZYNKKFFWPHXCJ-MUFRIFMGSA-N 474.944 5.610 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1 408984431 QXAWQHBICGSDQY-PXLXIMEGSA-N 477.391 7.155 50 40 JKGB CCOc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 409034607 IBVYKFVPPHERRW-RWPZCVJISA-N 464.352 6.371 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1ccccc1F)c1cc(-c2ccccc2)nc2ccccc12 409041832 VVSHOCGDAWZJAS-MZFJOGFUSA-N 475.523 6.384 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1 409050943 DYLOXIRZBDEWSS-XODNFHPESA-N 491.802 6.697 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409067441 YDGVUGRPYISJIE-KGENOOAVSA-N 487.487 5.596 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 409162577 XIHOEOPJBNTRRY-VULFUBBASA-N 487.781 5.383 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409208770 AANOQFIWEJJRNY-FSJBWODESA-N 486.893 5.191 50 40 JKGB N#C/C(=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 409221794 VFHCQCIATVDJEM-ATVHPVEESA-N 483.421 5.408 50 40 JKGB Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl 409264521 LUWPFZHVGHOXSB-WQRHYEAKSA-N 480.351 5.865 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1cccc2ccccc12 409305718 WWRBGCPMBJYOIH-KGENOOAVSA-N 458.330 7.385 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)ccc1OCc1cccc2ccccc12 409366383 USYGBYSDLUNADA-DXJNIWACSA-N 496.563 5.282 50 40 JKGB COc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)c1 409397315 IOZRNTSSOQKHEN-UHFFFAOYSA-N 489.531 5.827 50 40 JKGB CCCCNc1ncc2c(Br)cn([C@H]3CC[C@H](O[Si](C)(C)C(C)(C)C)CC3)c2n1 668360533 PURHFKDYLFBYCY-QAQDUYKDSA-N 481.555 6.911 50 40 JKGB COC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccccc1Cl 1247702 JXVNJKBCOYAKDV-HSZRJFAPSA-N 496.032 5.506 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)cc1 3322962 AAAWYWDGWKEUQP-XDJHFCHBSA-N 471.513 6.239 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2c(OCc3ccc(C#N)cc3)ccc3ccccc23)c1 8811209 JPKWMBGBMYVTAW-OCSSWDANSA-N 465.509 5.072 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2F)N1 9076145 XCBIOSLSGLRHHF-DEOSSOPVSA-N 488.544 5.125 50 40 JKGB C/C(=N/NC(=O)COc1cc(C)c(Cl)cc1C(C)C)c1ccc(/N=C/c2ccccc2O)cc1 16268065 PPHDBROKLXWPSE-FGQNIYRBSA-N 477.992 6.147 50 40 JKGB N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1nnc(NC(=O)c2ccccc2)s1 16476854 PYLFWWXCCVALPU-RGEXLXHISA-N 486.940 5.727 50 40 JKGB C/C(=N\NC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 18093451 OUWSTWWWPIRXCK-OXPBNVHHSA-N 495.579 5.099 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccccc1Cl 20348453 BDXQTOOPWJNYLL-QHCPKHFHSA-N 479.989 5.137 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1OCc1ccc(Cl)cc1 58871103 RRDCQJDGUXVUCA-VULFUBBASA-N 467.909 5.298 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccccc1Cl 59435241 OTYHHGXLEBUTPT-LGJNPRDNSA-N 498.029 5.780 50 40 JKGB C(C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1 104126574 FFXMDCOYTWGCOZ-UHFFFAOYSA-N 456.569 6.845 50 40 JKGB Cc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1 408581430 WNWCJXMOAXJDSV-FYJGNVAPSA-N 461.359 6.148 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1 408585136 BCMONSYLYIGOHI-NVMNQCDNSA-N 493.217 8.342 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccc2ccccc2c1 408598572 DTGNVDPTFUHBOJ-RWPZCVJISA-N 493.788 6.599 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(F)cc1 408734922 LMTPNXTXNDBOPF-YBFXNURJSA-N 450.897 5.921 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)C(=O)Nc1ccccc1 408740261 ATSTYXWEQMNKCC-YVLHZVERSA-N 485.740 6.366 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 408744548 LYAIWBDLOXKMPJ-ZDLGFXPLSA-N 499.767 6.675 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 408746842 WMYVMOGHXLBGIP-MFOYZWKCSA-N 498.322 6.035 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)Nc1ccccc1 408787627 CVNDWXSUYUIPNW-XMHGGMMESA-N 456.343 5.998 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1 408788527 KSOYLNOROQVOTP-LPYMAVHISA-N 460.961 6.480 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408789346 PASVNRMJWAAHEG-RGVLZGJSSA-N 491.931 6.080 50 40 JKGB COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C 408794565 JNNWNFQODKFFEJ-WUXMJOGZSA-N 484.575 5.728 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1C 408803564 QOIJYNDGLLWKTG-BUVRLJJBSA-N 480.995 7.543 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(F)cc1 408809555 HAQQXQIVBMMNIC-HMAPJEAMSA-N 460.505 5.035 50 40 JKGB N#C/C(=C\c1c(Cc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 408873773 VOXGHFVSTMZYPW-RCCKNPSSSA-N 467.912 6.538 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2cccc(F)c2)cc1 408874812 DFFNBUJFDAZNKP-PXLXIMEGSA-N 458.489 5.147 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 408881281 KPFYPJUZTGMDCT-XMHGGMMESA-N 496.972 5.361 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1Br 408889603 HPSSUQDYJAJNQX-WOJGMQOQSA-N 497.776 6.236 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Cl)c1OCc1ccc(C)cc1 408891958 WJRPYLODSIYSPT-MUFRIFMGSA-N 458.945 6.153 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(Cl)cc1Cl 408993452 DBJUTFNELFKYLA-OPEKNORGSA-N 450.753 5.583 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)c2nc3ccccc3o2)cc1 409073023 UNYLYIRGIHIESS-SFQUDFHCSA-N 450.903 5.622 50 40 JKGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 409134071 OPNXVUGRKDQNMC-NRFANRHFSA-N 485.765 5.496 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1F 2293001 YZHUUWXJCMXZCW-HYARGMPZSA-N 469.516 5.160 50 40 JKGB COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1ccc(C)cc1 2675445 NETWGARHTRAAKM-MUFRIFMGSA-N 474.557 5.184 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OCc1ccc(Cl)cc1 3236781 IATJFBFRRRCGDE-YBFXNURJSA-N 462.889 5.171 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)OCC)cc(OC)c1OCc1ccc(Br)cc1 9234456 FIDWBJLUDPVRHH-XDHOZWIPSA-N 456.336 5.235 50 40 JKGB CCOc1cc2c(cc1Br)nc1n2[C@H](c2ccccc2)[C@@H](Br)CS1 9806176 QXCJGZTYLWTZSR-SUMWQHHRSA-N 468.214 5.656 50 40 JKGB C/C(=N\NC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 12628095 OUWSTWWWPIRXCK-HPTJUUDZSA-N 495.579 5.099 50 40 JKGB CN1/C(=C(\C#N)C(=O)COC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)Sc2ccccc21 13098500 FHMYXJXDRJDCPV-JWGURIENSA-N 484.455 5.669 50 40 JKGB CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/C=C/c2ccccc2)cc1 15134005 XSVRLDAFKQIWSY-HWPJQGKNSA-N 453.542 5.062 50 40 JKGB CC(C)(C)C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl 16322724 ITFLBHHGRURPDF-AUEPDCJTSA-N 472.166 5.471 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1 16362911 CGWHZKXRQGROFU-NDENLUEZSA-N 491.341 5.580 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCC)c(Br)c2)cc1 20198177 XHIMTWOUKSTCQH-WSDLNYQXSA-N 484.188 5.163 50 40 JKGB CC(C)c1ccc(-c2cc(C(=O)N/N=C/[C@@H](C)Cc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 20550408 PDSJUVKGQBNLPL-DGAZYVLHSA-N 479.580 6.348 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)cc1 20764810 XXMFVWOSNSIXJZ-RWPZCVJISA-N 487.383 6.134 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)NC2CCCCC2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 27903840 VCYONDNAMDJUJE-CPNJWEJPSA-N 466.412 6.661 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCC(=O)Nc1ccccc1 34807308 NHUPUFSYKFHYSN-PDGQHHTCSA-N 495.348 6.069 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OCC 59297136 ZBZWJNGOOQIZSK-LDADJPATSA-N 465.347 5.945 50 40 JKGB N#C/C(C(=O)Nc1cccc2ccccc12)=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21 97995119 MJBDXEPZGAAMJX-XTCLZLMSSA-N 463.924 5.956 50 40 JKGB CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 109143148 KBICWQSLGOBPNG-LTGZKZEYSA-N 488.550 7.389 50 40 JKGB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@H](Cl)[C@@]2(Cl)C1 118914071 JFNJWGVLTHTDCN-KWIIRQRCSA-N 499.607 8.618 50 40 JKGB Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(Br)cc1F 408567950 HBWZYPNTUPARED-NVNXTCNLSA-N 453.290 6.075 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1 408579857 KQTMCPHWZLMVSL-XNTDXEJSSA-N 494.783 6.487 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)ccc1OCc1ccccc1 408719634 IJHQFXNJBPXRQY-JFLMPSFJSA-N 469.006 5.701 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccncc1 408722598 LRZKGOURNIZXCK-JFLMPSFJSA-N 460.331 5.340 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(Cl)cc1 408754408 NESBZSNVBFVPQH-WQRHYEAKSA-N 497.776 6.236 50 40 JKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)c(Br)c1 408791337 WDYBVZUUQMGQAW-UKTHLTGXSA-N 476.157 6.870 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408794805 SYWWUCYHJHRRRU-QGMBQPNBSA-N 493.306 5.898 50 40 JKGB C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(C)cc2)cc1 408822147 LCBGDHQNLNZIJJ-NCELDCMTSA-N 474.560 6.838 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408842703 CACMAFKNAZLKSW-IPBVOBEMSA-N 496.221 7.260 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Br)C(=O)Nc1ccccc1 408882768 QRIGFSDUHCAWQH-LDADJPATSA-N 467.750 6.227 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OC 408896167 PRAGQCNNMQCKIG-LDADJPATSA-N 463.331 5.721 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408922714 GEAPUOOAEXOCLR-LFIBNONCSA-N 482.279 5.666 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccccc3)o2)c1 409001136 HDOHARAJFSXZJJ-WJDWOHSUSA-N 453.361 6.356 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OCC)c1OCc1cccc(F)c1 409072330 RRVKNBPLLFLSNY-HYARGMPZSA-N 454.501 6.737 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2)c(C)c1 409252566 TZDUDTIHKQRTDG-HAHDFKILSA-N 453.542 5.483 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(Cl)c2)cc1OC 409309325 FMEQGQUFPREMQO-MBTHVWNTSA-N 470.928 5.619 50 40 JKGB CC(C)NC(=O)OCCN=C1c2ccccc2[C@H](Br)[C@H](Br)c2ccccc21 1643741 GEDQZXAQISYCPQ-KDURUIRLSA-N 494.227 5.544 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(N(CC)CC)cc2)sc2c1CCCC2 2669765 GEGAYTLXXKKAMH-OBGWFSINSA-N 451.592 5.195 50 40 JKGB C/C(=N/NC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 8398830 JIKBRCYMHPCKOA-WKIKZPBSSA-N 460.748 6.053 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c2[C@H]1c1ccc(Cl)c(Cl)c1 8410784 XCXKCHAAPISQRL-NRFANRHFSA-N 465.384 6.649 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 8438236 QPUYVSXRGSVWLG-OAQYLSRUSA-N 487.358 6.162 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1ccc(O)cc1 9357276 CHZXWJKJQBUNRT-PKAZHMFMSA-N 492.004 5.234 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(C)(C)C)cc3)nnc2-c2ccncc2)cc1 16712538 YAJXZFBHDHLHHR-STBIYBPSSA-N 484.629 5.178 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCCC)c(Br)c2)cc1 20198179 FBXDRTTWJAVXEX-YDZHTSKRSA-N 498.215 5.553 50 40 JKGB N#CC1=C(SCC(=O)c2ccc(Cl)cc2Cl)NC2=C(C(=O)CCC2)[C@@H]1c1cccnc1 25425051 OGDIHIILUWYNIX-OAQYLSRUSA-N 470.381 5.434 50 40 JKGB COc1cc(/C=N/NC(=O)CC(C)C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 28217830 WJLSHCSLOGVPDZ-YSURURNPSA-N 488.209 5.840 50 40 JKGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 33403349 RHQNVLYLBSJOFO-SXGWCWSVSA-N 458.370 5.985 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1cccc(C(F)(F)F)c1 33708829 YNXOYVJHLQHGIF-RHANQZHGSA-N 495.530 5.586 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(OC)c1 33713922 YSVCGQYZTHTGHP-XODNFHPESA-N 482.367 5.778 50 40 JKGB CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC 35132075 JVIFEYHCXUPWCP-COEJQBHMSA-N 490.600 6.006 50 40 JKGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccc(CSCc2ccccc2)cc1 59473195 ZWXPHUYKXSNFTB-NDZAJKAJSA-N 480.589 6.103 50 40 JKGB CCCCCCCC(=O)Nc1ccc(C(=O)N/N=C/C(c2ccccc2)c2ccccc2)cc1 98001260 LDHPKCNUTXVECP-JBASAIQMSA-N 455.602 6.533 50 40 JKGB biogenic COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3)N=C3CC(C)(C)CC(O)=C32)cc1 102649746 YWBVOFZIEYSKMY-RUZDIDTESA-N 487.625 6.281 50 40 JKGB C[P@](=Nc1ccc(I)cc1)(c1ccccc1)c1cnn(-c2ccccc2)c1 102935631 QRYOLHXPAAUUAG-MHZLTWQESA-N 483.293 5.590 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408542514 LYGMQVFLAMGFJL-UQQQWYQISA-N 486.999 6.618 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccc(C(=O)O)cc1 408544349 VOHHTPJSFBRRCU-ODLFYWEKSA-N 468.734 6.444 50 40 JKGB N#C/C(=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccc(C(=O)O)cc1 408545565 ZWWYEFCTXZIJFM-JCMHNJIXSA-N 450.450 6.089 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccc2ccccc2c1 408598670 IAFKLVIDUQWARD-FJEPWZHXSA-N 472.375 6.914 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4c(Cl)cccc4Cl)cc3)[nH]c2cc1C 408608937 XTMQNJUCKDIDDS-LDADJPATSA-N 491.378 6.568 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OCC)c1OCc1ccccc1 408676521 JZFBSBVJBXEHGG-NJZRLIGZSA-N 483.612 5.757 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(Br)cc1F 408677636 TVKPOENTHYLRAM-JFLMPSFJSA-N 483.385 5.360 50 40 JKGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 408772902 IWQRYJFYITZRAR-YZSQISJMSA-N 490.412 5.038 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12 408809623 IAORYYYATPQLQS-RCCKNPSSSA-N 487.386 7.580 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc(C)cc1 408810461 JBTKXVCKXSLVDT-NDENLUEZSA-N 464.924 6.311 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2ccccc2OC)c1Cl 408811693 MTVAAUNLWNUIDK-BRJLIKDPSA-N 476.316 5.279 50 40 JKGB C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(C)cc2)cc1 408822965 DEGGCFLOZVPYAU-XQNSMLJCSA-N 454.526 5.693 50 40 JKGB O=C(N/N=C/c1ccccc1O)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1 408839561 UJCUOGRHGDZAFA-BRJLIKDPSA-N 494.916 5.185 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(C)c1OCc1ccc(Cl)cc1Cl 408844502 DDKLCJMHHOXYGQ-IPBVOBEMSA-N 496.221 7.260 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)cc(C)c1OCc1ccc(F)cc1 408848094 OWIRKPCSBUSCIZ-LGJNPRDNSA-N 455.327 5.548 50 40 JKGB CCOc1ccc(NC(=O)N/N=C/c2cc(C)c(OCc3ccc(Br)cc3)c(C)c2)cc1 408855690 GJEWQRDWZZDBDN-JFLMPSFJSA-N 496.405 6.199 50 40 JKGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(Br)c(Sc3ccccc3)o2)c1 408998522 QZWNNQGVPLIAPQ-CVKSISIWSA-N 494.414 6.365 50 40 JKGB CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1 409048135 QKCWUNDNLCCCMD-NTUHNPAUSA-N 452.102 5.583 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3sc(C)c(C)c3C(=O)OC)c2C)cc1 409206026 URAFWRANQLQJQH-DEDYPNTBSA-N 477.586 5.503 50 40 JKGB Cc1ccc(COc2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)cc2I)cc1 409211027 MHTHBXJSWIFSPL-NDENLUEZSA-N 496.304 6.151 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409261880 DYILSULYYMHBLL-DEDYPNTBSA-N 473.504 5.014 50 40 JKGB Cc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1 409365748 RTJFKDUTCZVBES-ZMOGYAJESA-N 468.307 5.009 50 40 JKGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OCc1c(Cl)cccc1Cl 1780937 PMWWREHLWJVDQU-LDADJPATSA-N 474.365 5.919 50 40 JKGB Cc1ccc(NC(=O)N(NC(=O)c2ccc(C)cc2)c2nc(-c3ccc(Cl)cc3)cs2)cc1 3768080 XAYDRIILECQXON-UHFFFAOYSA-N 476.989 6.464 50 40 JKGB ICCN(CCI)c1ccccc1-c1ccccc1 4774301 OMQHNXVTYMSJGV-UHFFFAOYSA-N 477.127 5.030 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1nc2ccccc2[nH]1 9187144 OBROXFPCZMOUSE-GZTJUZNOSA-N 464.750 6.622 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 14151927 BIDVBTGTSAVSBJ-RVDMUPIBSA-N 467.472 6.323 50 40 JKGB Cc1ccc(CN2c3ccccc3C3=C([C@H](c4ccc(Cl)cc4)C(C#N)=C(N)O3)S2(=O)=O)cc1 20558556 DWSZFWYLHABSEW-HSZRJFAPSA-N 489.984 5.175 50 40 JKGB C[C@H](/C=C(\C#N)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1)c1ccccc1 27024779 SODJDTCBBZWDDH-NISQSXRWSA-N 476.026 7.488 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)c(C)n1-c1ccc(Br)cc1 28216038 JVKNVYIJBUVTDV-BRJLIKDPSA-N 490.854 5.894 50 40 JKGB COc1ccc(Oc2ccc(/C=C(/C#N)c3nc(O)c4c(C)c(C)sc4n3)cc2[N+](=O)[O-])cc1 35178363 VDOZENSITSKZDX-YBEGLDIGSA-N 474.498 5.787 50 40 JKGB COc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)ccc1OCc1ccc(C)cc1 41120594 ZDLHVWYUYAELTI-DEDYPNTBSA-N 455.539 6.388 50 40 JKGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 58927860 AQUSTXXAHMMVTJ-LGJNPRDNSA-N 459.398 5.956 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1C#N 59336010 BJXSOFQZHMEUBJ-ODLFYWEKSA-N 478.335 5.998 50 40 JKGB COc1cc(C)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1C(C)C 107836243 UNFQJAJEIJNZRT-LJUMEUDFSA-N 499.611 6.470 50 40 JKGB CCN1c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2[C@H](C)CC1(C)C 208304056 ZSOXTGFKWFXPHX-JZBVQRJASA-N 455.602 5.185 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1ccc(Br)cc1 408579898 LFFFRLCBHCGGRK-CAOOACKPSA-N 477.160 7.538 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)Sc1nc2ccccc2[nH]1 408598494 BOFMIBOOTYPEQY-XDHOZWIPSA-N 452.366 7.105 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408790926 ZJUVBLPYRJELBB-SRZZPIQSSA-N 490.943 5.788 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1 408793307 DWHGMQDZBCSGMQ-LPYMAVHISA-N 475.386 6.499 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(OCc2ccc(Br)cc2)c1 408799940 JOUNJJQDLXOJIF-LDADJPATSA-N 497.776 6.236 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1Cc1ccccc1Cl 408866791 IYOFUAYHTXMEBZ-FYJGNVAPSA-N 479.407 7.091 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 408888713 ZNDOSZNSGDUTRO-VULFUBBASA-N 487.781 5.844 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Cl)c1OCc1ccccc1 408888888 CJTOBPZZXJQYIQ-LGJNPRDNSA-N 498.029 5.780 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1cc(C)cc(C)c1 408891336 OUDGOFOEAAMNIS-FYJGNVAPSA-N 491.385 6.199 50 40 JKGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 408913297 PVRQJOZNBWIIHK-UVHMKAGCSA-N 457.357 5.718 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccccc1-n1cccc1 408923752 LPGONAKHDGQLJL-WPWMEQJKSA-N 474.358 5.583 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)n1 409232752 PJOKLYRZTUACBZ-UVHMKAGCSA-N 478.021 5.301 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2cc(C)ccc2C)c(C)c1 409254569 ZPRYXKUPFNLNKH-LPYMAVHISA-N 487.987 6.137 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1OC 409320354 ALFSHBSPOIKBNC-DICXZTSXSA-N 495.919 5.165 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)C3=C(CCCC3=O)N2)cc1C 2310634 SWNPXBZUMLZSSU-VWLOTQADSA-N 457.599 5.413 50 40 JKGB Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 2343077 NIEPLZMPTLRIRE-LQKURTRISA-N 462.594 5.129 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)C1C2=C(OC3=C1CCc1ccccc13)c1ccccc1CC2 2344661 JLEXLNCKKKNZLB-UHFFFAOYSA-N 486.551 7.114 50 40 JKGB biogenic O=C(NNC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(OCc2ccccc2)cc1Cl 8782101 ZYQPZQOOWMBABN-UHFFFAOYSA-N 479.911 5.569 50 40 JKGB N#C/C(C(=O)Nc1ccccc1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 9318903 FUCUVRXJXRHOPJ-CKVBZJJFSA-N 461.493 5.030 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1 10475974 XCKCYAYEEFHPFY-JVWAILMASA-N 452.938 5.019 50 40 JKGB Cc1cc(C)c2c(-n3cccc3)c(C(=O)N/N=C/c3cccn3-c3cccc([N+](=O)[O-])c3)sc2n1 12446514 ZSPVOZLDZIRRBD-CVKSISIWSA-N 484.541 5.167 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1COc1c(F)c(F)c(F)c(F)c1F 15934381 ASNLAYKMGMXPSY-GESPGMLMSA-N 484.808 5.387 50 40 JKGB CC(C)COc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 16184146 ANXGDUMSYFYVHL-LLKRNFLQSA-N 487.625 5.260 50 40 JKGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc3ccccc3c2)=C(C#N)[C@@H]1c1ccc(C)cc1 16974714 ALMSSVLBODOHOG-BJKOFHAPSA-N 485.565 5.098 50 40 JKGB Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)[C@H](C)Sc2ccccc2)c1C 20243745 UBTHULMWRUBMEP-FOGHPNEFSA-N 484.463 6.104 50 40 JKGB COC(=O)c1cc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc(C(=O)OC)c1 44835409 WBRHGXVVMOPLTG-UDWIEESQSA-N 454.507 5.601 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 58871319 CFHUMOBJQRAEDX-OGLMXYFKSA-N 469.497 5.490 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 58913172 MNHMGJYOBIJPJA-KBKYJPHKSA-N 477.779 5.452 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 59254869 AFXFBHWYGWRMKI-CPNJWEJPSA-N 450.897 6.002 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1 59333246 GOAFDFFBSSQRBL-MEFGMAGPSA-N 463.581 5.250 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)Cc2ccccc2)cc1 59443817 FMOYQGLTNHUTGY-UHFFFAOYSA-N 497.705 5.963 50 40 JKGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)C2=C(O)CCCC2=N1 102883598 UNMNNBYTGTZLNJ-QHCPKHFHSA-N 497.542 6.655 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cccc(OCc2cccc3ccccc23)c1 408526413 BWIMMJHLXQYBCP-KPGMTVGESA-N 477.486 6.000 50 40 JKGB CCN(CC)c1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)c(OCc2ccccc2)c1 408543369 OJJRZZXZUQAKQG-LFVJCYFKSA-N 450.586 6.669 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc2ccccc2c1 408549295 SDJAJAAWQDRESD-JJFYIABZSA-N 475.331 7.698 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccccc1F 408581307 WBVCESHXZUPENG-LZYBPNLTSA-N 462.735 7.438 50 40 JKGB O=C(c1ccc(F)cc1)[C@@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 408648212 JTODYEGYOGRJCC-OAQYLSRUSA-N 499.325 5.013 50 40 JKGB CCN(CC)C(=O)/C(C#N)=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 408773148 GXJBYAJOSMKSTO-ZROIWOOFSA-N 467.831 5.835 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408788515 KOOWRPUQZPNCNQ-XIEYBQDHSA-N 494.978 7.044 50 40 JKGB CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 408794483 IQEBYTSJKZOQSL-XDHOZWIPSA-N 467.352 6.517 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408799523 ZSULVRYXYXCASM-DEDYPNTBSA-N 476.916 5.260 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1c(C)ccc2ccccc12 408804521 YAPGWDHGPFLVRT-HZHRSRAPSA-N 496.994 7.243 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1cccc([N+](=O)[O-])c1 408807350 BWIZEZNJBMDEIH-STZFKDTASA-N 457.461 5.587 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2cccc(C)c2)cc1 408826606 FJHGZARFZDSDRI-UHFFFAOYSA-N 469.651 5.207 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Br)c1 408876693 PYYUCTIOSFPAIZ-KGENOOAVSA-N 461.359 6.136 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 408893110 FQEJPQPCQTUUOD-LDADJPATSA-N 481.335 6.075 50 40 JKGB COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Cl)c1OCc1ccc(Cl)cc1 408947200 AUYZXNRINVMXFC-ISIUFKJFSA-N 461.389 5.857 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OCC)c1OCc1ccccc1Cl 408968764 YTXDAOHKZXBUSR-WCMJOSRZSA-N 491.950 5.821 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409077280 DPYIICMTQSRZHR-GHRIWEEISA-N 474.429 5.240 50 40 JKGB Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C)c3)c2)cc1 409224012 IELDDIPMQPMTLT-UHFFFAOYSA-N 491.547 5.539 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc(-n4c(C)ccc4C)c3)o2)c(Br)c1 409240198 RWGJXTDQHQELOO-JFLMPSFJSA-N 476.374 6.189 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)c2)c(C)c1 409272538 ZQZUTAMRVXGVCU-OEAKJJBVSA-N 453.542 5.483 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1OC 409320735 DXWDPLYIKYLWTD-NTFVMDSBSA-N 482.964 5.489 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(-c2c(Cl)cc(Cl)cc2Cl)o1 625568 VWXGWSRTOORMKR-GOSISDBHSA-N 463.748 6.358 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cccc(Br)c1 949388 NXESINXGXOWQCV-XYOKQWHBSA-N 472.682 5.816 50 40 JKGB Cn1nc(C(F)(F)F)c(COC(=O)C(Cl)Cl)c1Sc1ccc(Br)cc1 1388112 JIOCSZWHISKQLV-UHFFFAOYSA-N 478.117 5.200 50 40 JKGB C[C@H]1c2c(-c3ccccc3)oc(-c3ccccc3)c2[C@@H](C)[C@@H](Br)[C@H]1Br 5160038 BGSVBYYZBVGWBJ-YKLJGAPNSA-N 460.209 7.361 50 40 JKGB Cc1ccccc1Cn1c(C)c(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc21 9204912 ZNUIDDSGRCWOTB-LQKURTRISA-N 474.402 5.762 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 10130924 OVXLIRLPNMLVGL-WQRHYEAKSA-N 493.922 5.359 50 40 JKGB Cc1ccc([C@H]2C(C#N)=C(n3cccc3)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)s1 12462532 VRWNCDWPQMLNSA-HSZRJFAPSA-N 479.527 6.880 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2CC)cc1 12465144 XJOQINSIRMXHPV-WPWMEQJKSA-N 479.650 5.294 50 40 JKGB Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 14408910 CEHKZKNLDXQSRK-BRJLIKDPSA-N 458.743 5.028 50 40 JKGB COCCOC(=O)C1=C(C)NC(SCc2ccccc2Cl)=C(C#N)[C@H]1c1ccccc1Cl 20170730 AQAMHSJCJSEYOV-JOCHJYFZSA-N 489.424 5.812 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1Cl 20195222 PNQYCHWZYOIASD-WKULSOCRSA-N 485.411 6.281 50 40 JKGB CO[C@@H](C(=O)N/N=C/c1c(Br)c(C)n(-c2cc(C)cc(C)c2)c1C)c1ccccc1 20243811 NLEGFIUAUZJNER-SIBVSACJSA-N 468.395 5.311 50 40 JKGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1)c1ccccc1 20244099 RLRWOEQNUFOBJU-MJDZGMBVSA-N 457.574 5.004 50 40 JKGB CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 26779590 IWEDNUGKLLLFGC-CUPKDKKMSA-N 486.641 5.634 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 40144507 KUDWDXFXSKFECF-XDJHFCHBSA-N 454.917 5.747 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 40961710 MTILMUAEKIOLCW-LGJNPRDNSA-N 475.397 5.823 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OCc1ccc(Br)cc1 59445258 FHAPVXNOXWRJHZ-DHRITJCHSA-N 473.754 5.454 50 40 JKGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 83301887 JAFHVPKPXHGROS-VZFOORBSSA-N 490.003 5.706 50 40 JKGB CC(/C=C\c1ccccc1)=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 85915557 GEKUNSPYFFOCRA-WEDMZKMXSA-N 453.571 5.232 50 40 JKGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 108975757 ZZNMFFATQMXQHJ-LGJNPRDNSA-N 456.329 5.295 50 40 JKGB C[C@H](CCCI)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118925985 HBAQUSMBLAIDOW-VVVZRFTHSA-N 456.496 7.887 50 40 JKGB Cc1cc2c(cc1/C=N/NC(=O)c1cccc(Br)c1)[C@H](C)CC(C)(C)N2C(C)C 223590506 PIPZXFNCXDVUSJ-OXVLKEGXSA-N 456.428 6.022 50 40 JKGB COc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)[C@H](Br)c2ccccc2)cc1OC 408677722 DZXHBAQTIMNTNL-FYYLOGMGSA-N 469.331 5.248 50 40 JKGB COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccc(C)cc3)n2)cc1 408724419 JZVKVIIVNXYXOD-ZCTHSVRISA-N 488.547 5.551 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)c1 408745347 LZEIUQAFXPCKIR-XKZIYDEJSA-N 457.530 5.134 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cc(C(=O)O)ccc1Cl 408747477 OMVZHJFIXKOTTL-YVLHZVERSA-N 498.764 5.754 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 408794426 JCWIBFDRYGHLCZ-RGVLZGJSSA-N 481.379 6.825 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1Br 408822170 LEAHYOHFPANJTJ-LDADJPATSA-N 497.776 6.236 50 40 JKGB Cc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)s1 408848938 XHSVUXUFIRCWAM-WYMPLXKRSA-N 452.992 6.341 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1cc(Cl)ccc1Cl 408896609 SKCHRCUSNGFSBL-KPKJPENVSA-N 462.676 6.361 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c(C)c1 408907326 MCUYNSWKIXWHPA-OGLMXYFKSA-N 495.417 5.818 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C)cc1 408963335 NEFCNDHFXHGTDL-WKULSOCRSA-N 456.464 5.755 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 408983316 LIYKGVDTZIXZRQ-NVMNQCDNSA-N 485.342 6.574 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1 409064594 HSKFEMABPUHFLU-RQZCQDPDSA-N 485.298 5.955 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)c(Cl)c1 409128496 IJUCSLPKXFOHIZ-QFIPXVFZSA-N 471.340 5.396 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccccc1 409233973 VCWZJKKCPYIKAI-HNDQUVLASA-N 487.806 6.631 50 40 JKGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 409259364 YRVOAQFVBYACJU-BIZUNTBRSA-N 485.027 7.063 50 40 JKGB CCOc1cc([C@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(Cl)cc1 409371033 FHROHDIPYJXEFN-OAQYLSRUSA-N 456.011 5.660 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@H](Nc1cccc(C(F)(F)F)c1)c1ccccc1 2050608 LUBOTWPFPHMVQT-VWLOTQADSA-N 451.428 6.830 50 40 JKGB O=C(NCCSCc1c(Cl)cccc1Cl)[C@@H]1Cc2ccccc2[C@@H]1C(Cl)Cl 3170889 ODWHGOCRXCLUDO-KDOFPFPSSA-N 463.257 6.103 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1Br 3376024 XOAGSVJNKWZMKP-IZZDOVSWSA-N 459.649 5.676 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3C#N)ccc3ccccc23)c1 8721945 JXRKKOREDQQQIG-HZHRSRAPSA-N 459.505 5.845 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)N1CCN(c2ccccc2)CC1 9262733 PKTGJDKBUUMCDZ-VFCFBJKWSA-N 473.576 5.675 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1cccc(Cl)c1 9308748 JBRVHJWWISBQIN-JOCHJYFZSA-N 454.917 5.527 50 40 JKGB N#C/C(=C/Nc1ccc(Cl)cc1Cl)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 9334068 OBHGMEWINXUSMQ-XFXZXTDPSA-N 485.308 6.108 50 40 JKGB CCOc1cc2c(cc1Br)nc1n2[C@@H](c2ccccc2)[C@@H](Br)CS1 9806180 QXCJGZTYLWTZSR-GUYCJALGSA-N 468.214 5.656 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(SC(F)F)cc2)o1)C(=O)N/N=C/c1ccc(Cl)cc1Cl 26920659 NWVBBGOFKXZJBE-LTZAVAEPSA-N 492.334 6.625 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 27532492 IAKPGVXJDMFKLS-RVDMUPIBSA-N 452.264 5.471 50 40 JKGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccccc3Cl)cc2)c1 32929280 XTIQSARHNTZDMK-MBTHVWNTSA-N 464.949 5.520 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccc(C)cc1 34840636 XYXCRSBESRNCED-ODLFYWEKSA-N 452.323 6.548 50 40 JKGB Cc1cc2c(cc1/C=N\NC(=O)c1ccc(COc3ccc(-n4c(C)ccc4C)cc3)o1)OCO2 35201253 MSTIQXIRSVKWAJ-MUXKCCDJSA-N 471.513 5.067 50 40 JKGB Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1 59517093 KPNRYDUCELINBM-OGLMXYFKSA-N 463.965 5.487 50 40 JKGB CCCCCCCCCCCCN1C=C/C(=C\C=C(/C#N)C(=O)ONc2ccccc2)c2ccccc21 100024575 LJVNKJKCJVNXSE-GPAWKIAZSA-N 497.683 8.345 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl 108271800 XSRYQZZXVVIQJI-ZMFRSBBQSA-N 488.327 5.182 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 209488296 ODFHYSDXKWSZOW-YDZHTSKRSA-N 462.387 7.108 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2cccc3ccccc23)cc1-c1cccc2ccccc12 408727420 WQOXLNZYOUJDNI-QNKGDIEWSA-N 480.571 6.918 50 40 JKGB Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3C)c2C)ccc1I 408745799 VRHKNWKRMFWANL-DEDYPNTBSA-N 495.364 5.861 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)cc1 408763010 DHENFXWAOMTAON-RGEXLXHISA-N 490.357 5.321 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408798819 XHTOQFLLMMUCTH-RGVLZGJSSA-N 491.931 5.998 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)cc1 408801474 TYNNIKTYOQPJKP-RCCKNPSSSA-N 487.386 7.580 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c(Br)cc1OCc1ccccc1 408812906 XMWDSGHCBHAEMY-BKBFXEPMSA-N 483.406 5.639 50 40 JKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(OC)c1 408816828 SLPNYBIGPGFNEB-LPYMAVHISA-N 453.498 5.009 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OC)cc1Cl 408822040 AYOTZWUZCHJUJB-YBFXNURJSA-N 478.932 5.490 50 40 JKGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 408858664 KARSLLXDJGATSM-OGLMXYFKSA-N 467.400 5.080 50 40 JKGB COc1cc(/C=N/NC(=O)CC(C)C)cc(Br)c1OCc1ccc(Cl)cc1 408884409 XQKPEKGROWQVNZ-FOKLQQMPSA-N 453.764 5.186 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1 408885547 BSSBXHGZWVEMIG-XNTDXEJSSA-N 464.821 5.494 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1OCc1ccc(Cl)cc1Cl 408926603 YUNMWNCDQXGPGZ-BRJLIKDPSA-N 474.300 5.253 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccc(C)cc1 408960419 FQMJVSZKQLZJTA-UVHMKAGCSA-N 493.903 5.654 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(F)cc1 408983603 MTGOGGSADYWPLI-HMAPJEAMSA-N 460.936 6.641 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccc(F)cc1 408986714 DCPTZMYCLVWGCC-XKZIYDEJSA-N 490.962 6.649 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1 409017409 ZMLAVXPYEYUDON-WKIKZPBSSA-N 497.776 6.500 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C/c3cc(C)n(-c4ccc(Br)cc4)c3C)cc2c1 409186562 DUNNJKRZSJHRAZ-VULFUBBASA-N 480.362 5.765 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1ccc(C2CCCCC2)cc1 409196921 SIGXEOVKOAPJED-WGOQTCKBSA-N 481.596 6.094 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccc(Cl)cc1 409240714 PNICTLIWQPHHFH-KQWNVCNZSA-N 460.961 5.584 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c(C)c1 409268120 QAAAWFXNHWHJAJ-XSFVSMFZSA-N 459.933 5.520 50 40 JKGB CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC 409313102 BGIOMLWELZBPOD-DICXZTSXSA-N 468.937 5.099 50 40 JKGB O=C(CNC1CCCCC1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 409380327 CQYXXZXKAMOGTI-MUFRIFMGSA-N 494.433 5.554 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1cccc2ccccc12)C(c1ccccc1)c1ccccc1 409390219 CBNOGBFCGHCCQL-NVMPUMLXSA-N 470.572 6.701 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccccc1Cl 409392381 LUIHMJCCRRGKQJ-GRSHGNNSSA-N 486.768 7.283 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OCc1ccccc1Cl 643878 ALUJXRXQRVVZPF-SANMLTNESA-N 498.970 5.640 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(Br)cc1 1805784 FRWCRVZITMYQPS-UKTHLTGXSA-N 472.682 5.816 50 40 JKGB CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 2670722 ZHJQLHDICFUEMG-DTQAZKPQSA-N 453.520 5.038 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)N2CCn3c2nc2ccccc23)c(C)n1-c1cccc2ccccc12 3363700 SBFNTGGKBQNMQM-HAVVHWLPSA-N 457.537 5.551 50 40 JKGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(COc2ccccc2-c2ccccc2)cc1 8684882 NYGXQLDXLKUZPF-MTDXEUNCSA-N 451.482 5.605 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 8812404 OTZZBWHZZGKJHE-KVSWJAHQSA-N 495.765 6.528 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C(F)(F)F)cc2)ccc1OCc1cccc(C(F)(F)F)c1 12951426 MGSZOSJTJPTQKK-IURWMYGYSA-N 496.407 6.076 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 13388144 QAHGJOPRDBFXQX-GZTJUZNOSA-N 496.292 5.621 50 40 JKGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\c2ccc(-c3cccc(Br)c3)o2)cc1 15938530 YXCXWNFOMCGJQR-VPRNOBJUSA-N 465.391 6.260 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cc2c(ccc3ccccc32)o1 16526116 BIGMLWLZFRZGFN-ZMFRSBBQSA-N 459.845 6.172 50 40 JKGB O=C(NN=C1CCCCCCCCCCC1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 20240401 GZAJITYBMZTZRF-UHFFFAOYSA-N 474.693 6.399 50 40 JKGB Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c1C 20243849 UZYJYXOWBFTKFK-RXJBCPCZSA-N 498.490 6.245 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OC 23215368 MFTDXVYUPLEJDP-KPKJPENVSA-N 470.150 5.709 50 40 JKGB C=CCc1cccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1O 32576881 VWQMDVDVKJBBJL-MBTHVWNTSA-N 491.016 5.415 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 33474968 UQYYGPRGOYPEGC-JVWAILMASA-N 455.470 5.100 50 40 JKGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 33548052 HDTODOWQONUIDW-LGJNPRDNSA-N 456.329 5.295 50 40 JKGB N#C/C(C(=O)Nc1ccccc1Cl)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 33918699 OSTOWPRTILEEHY-UTDQILSNSA-N 494.403 6.058 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCC(=O)Nc1ccccc1 35176158 ZUHXWJKYFBPFGX-OYKKKHCWSA-N 482.967 6.974 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 59433264 UDTWGBXDQOBHGR-UVHMKAGCSA-N 452.341 5.769 50 40 JKGB CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/NNC(=O)C12CC3CC(CC(C3)C1)C2 101113931 SYXYMQDIMSKORH-MHWRWJLKSA-N 481.811 5.090 50 40 JKGB CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1 169840678 GRNRPZDCHUOWOJ-CVEARBPZSA-N 474.468 5.490 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cccc(OCc2ccc(F)cc2)c1 408569690 PMBYISOMYDQAMJ-JFLMPSFJSA-N 482.602 5.412 50 40 JKGB O=C(NNc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408601237 ANWPMMCACQGDKT-MRXNPFEDSA-N 488.346 5.208 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)c1ccc(N2CCCC2)cc1 408676206 GYXOFQLPRQIGSE-AFUMVMLFSA-N 472.770 5.727 50 40 JKGB N#C/C(=C\c1c(Cl)cccc1Cl)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 408729897 KQTPHKWXBOLTKE-XNTDXEJSSA-N 473.190 7.762 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 408795957 WRCHBTULYJMSKE-LFVJCYFKSA-N 492.531 5.760 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(OCc2ccc([N+](=O)[O-])cc2)c1 408806044 AHRPTZQELPLLLA-XDHOZWIPSA-N 477.904 5.690 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1cccc(F)c1 408814393 FRUVMSGVBYSMBY-MWLSYYOVSA-N 458.489 5.652 50 40 JKGB CCOc1cc(C=C(C#N)C#N)c(Br)cc1OCc1ccc(Br)cc1 408853611 QHQBUQICMSDRPN-UHFFFAOYSA-N 462.141 5.620 50 40 JKGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 408860496 WXFUPKWFFIBLMM-WEMUVCOSSA-N 482.628 5.254 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Cl)c1)C(=O)Nc1ccccc1 408877658 XHXUWTKNUGRLCE-XDHOZWIPSA-N 451.751 6.239 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1c(Cl)cccc1Cl 408889806 JHDLZAYHJIHYNV-BRJLIKDPSA-N 474.300 5.253 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Br)c1OCC 408890788 ZFJDLLGJPRQTMR-NTUHNPAUSA-N 494.729 5.354 50 40 JKGB Cc1ccc(Sc2oc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)cc2Br)cc1 408913702 NDAUNMCYZBPKQF-DHDCSXOGSA-N 487.806 7.009 50 40 JKGB O=C(N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1cc2cc([N+](=O)[O-])ccc2o1 408962985 WTQMDXCXTYEFQI-WKULSOCRSA-N 483.455 5.976 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc2Cl)c1 408986131 ZRRIUXFRLYESHP-GRSHGNNSSA-N 485.798 7.388 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OCC)c1OCc1cccc(Cl)c1 409070114 ZOYZOGBGZNKTBL-HYARGMPZSA-N 490.962 6.731 50 40 JKGB Cc1ccc(Sc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])cc1 409109963 OQOCATIOFWMFMR-MSXFZWOLSA-N 460.342 6.125 50 40 JKGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccccc1OCc1ccccc1 409119474 PUQIOKZFIYZEOD-LGJNPRDNSA-N 459.398 5.956 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3c(C)n(Cc4ccccc4Cl)c4ccccc34)cc2c1 409186336 ANVNNZJYEXUKSK-UHBFCERESA-N 485.971 6.560 50 40 JKGB Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(F)c(Cl)c1 409216454 ILKINQGADYUGEF-OPEKNORGSA-N 450.366 5.782 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409273044 UZJBPQLSQFZQDR-UDWIEESQSA-N 489.959 5.529 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)cc1OC 409315088 HRWLWGJVCJCHJB-RHANQZHGSA-N 496.991 5.879 50 40 JKGB CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)c(C(=O)OCC)c1C 2370595 VJHRURFBNPRWSF-VBKFSLOCSA-N 497.598 5.519 50 40 JKGB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1Cl 6190621 TVHSWIGZKQLJLV-KVUWKNAUSA-N 482.411 5.416 50 40 JKGB COc1ccc2cc(/C=N/NC(=O)CSCc3cccc(Br)c3)c(Cl)nc2c1 8843127 XGUKHKCVFQXCGJ-AUEPDCJTSA-N 478.799 5.043 50 40 JKGB C/C(=N\NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1cccs1 9075911 PSIJJXMVNXUMES-CVKSISIWSA-N 494.667 5.020 50 40 JKGB CCc1ccc(NC(=O)C2=C(C)NC(SCC(=O)Nc3ccccc3)=C(C#N)[C@@H]2c2ccco2)cc1 12250135 ZCLJMPQYBKFMGO-AREMUKBSSA-N 498.608 5.549 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl 28217272 QRXUCVANUNJOOY-OPEKNORGSA-N 450.753 5.583 50 40 JKGB COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccccc1C 33470251 OGHSBARZTPFXBZ-UYRXBGFRSA-N 475.932 5.220 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1C 33780410 XBSQMCFXQSNURW-NDENLUEZSA-N 451.353 6.735 50 40 JKGB O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc([N+](=O)[O-])c1 59248097 TZHIMKGFVVPOSY-UFFVCSGVSA-N 480.727 5.519 50 40 JKGB Sc1sc(-c2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95749435 KIQSVKKPSJTKLR-UHFFFAOYSA-O 454.580 5.718 50 40 JKGB N#C/C(=C\Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2ccc3ccccc3c2)cs1 100843777 KMGVSPSKFKHKKE-SFQUDFHCSA-N 455.892 7.612 50 40 JKGB CCCCCOc1ccccc1CN1C(=O)/C(=N/NC(=O)COc2ccc(C)cc2)c2ccccc21 103041315 OXFMBJRWPKVXHN-CCFHIKDMSA-N 485.584 5.010 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Br)c1OCc1cccc(C)c1 106110180 ZGQULVCGVANTKO-JAIQZWGSSA-N 488.385 6.594 50 40 JKGB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OO[S@@](=O)c5ccc(C)cc5)CC[C@]4(C)[C@H]3CC[C@]12C 118925927 OHAPMUUAMJFVSA-USTIWDTOSA-N 470.675 6.502 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OS(=O)(=O)c1ccccc1 408541346 AMADDTYQQDIGGD-UYRXBGFRSA-N 459.527 5.020 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1cccc(F)c1 408566929 BNHYEUVEKGYQTR-APSNUPSMSA-N 496.311 6.255 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(I)c1OC 408588983 XPNMHJIUFAYKLL-MLPAPPSSSA-N 474.125 6.069 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc2ccccc2c1 408762642 LOFIIUWMXSENTD-HYARGMPZSA-N 463.449 5.513 50 40 JKGB N#C/C(=C\c1ccc(OCc2nc3ccccc3[nH]2)cc1)C(=O)Nc1ccccc1Br 408763647 JIMJVWPZORYUJA-GHRIWEEISA-N 473.330 5.450 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1Cl 408787655 DFFSSALDLIOSKT-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccccc1 408794401 SEZQPHHGRJLPSS-LPYMAVHISA-N 460.961 6.480 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1C 408796716 YXVVBDGUUTXDBE-VXLYETTFSA-N 485.798 7.388 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc2ccccc2c1 408799397 YZCCZXJUXLVKIZ-LPYMAVHISA-N 484.939 6.332 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(OCc2ccc([N+](=O)[O-])cc2)c1 408805170 JCNYRHXLLCKEBO-LDADJPATSA-N 463.877 5.381 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 408824462 QJQOYDSNTQYNFK-JCMHNJIXSA-N 480.524 5.138 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1Cc1ccccc1F 408864859 AOURXMBLLUUTDQ-CIAFOILYSA-N 462.952 6.631 50 40 JKGB O=C(N/N=C\c1cccc(OCc2ccccc2F)c1)c1cc2cc(Br)ccc2o1 408935376 DPLFHMKAEYWNOP-ZMFRSBBQSA-N 467.294 5.677 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl)C(=O)Nc1ccccc1Cl 409048088 REWAIMHCLADDRI-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1 409048169 QVMXFDBZRDEMLK-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl 409068834 IZQVREDCPNAJKH-OEAKJJBVSA-N 464.392 7.764 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OCC)c1OCc1ccccc1F 409077984 HAJCYMBEUTZAMI-PCLIKHOPSA-N 470.544 5.755 50 40 JKGB Cc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2Cl)c1 409226851 XJBQXEWLLXVSGT-ZRGSRPPYSA-N 461.732 5.938 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1ccc(F)cc1 409238298 MPZNCBCDUCUDJP-WKIKZPBSSA-N 489.316 5.008 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(Sc3nccc(C)n3)o2)c1 409270121 FVZXUKPTHZTCKE-OQLLNIDSSA-N 469.364 5.454 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1 409270897 RUZCLBLXYFBFHX-QDTIIGTASA-N 484.383 5.700 50 40 JKGB COc1cc(C(=O)N/N=C\c2ccccc2OCc2ccc(C)cc2)ccc1OCc1ccccc1 409316171 LFOGSRCZMRZGOK-DXJNIWACSA-N 480.564 5.926 50 40 JKGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OC 409332125 JXXBPNRCNLNMPC-VEILYXNESA-N 460.530 5.002 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1OCC 409335729 XIHQJCUOYZOYGG-MIXAMLLLSA-N 474.557 5.310 50 40 JKGB Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccccc1Br 650769 PRDYZOAAQSCWHY-QHCPKHFHSA-N 479.374 5.460 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 1439443 SMOYQPJWTPNPQB-XMHGGMMESA-N 461.315 5.522 50 40 JKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1OC 1748103 XVIUELCBUSTERK-NBVRZTHBSA-N 481.618 5.239 50 40 JKGB CCOC(=O)c1cc(-c2cccc(CBr)n2)nc(-c2cccc(CBr)n2)c1 2599112 DRSSOZTTWXYVKX-UHFFFAOYSA-N 491.183 5.172 50 40 JKGB CCC(=O)Nc1sc(/C(C#N)=C/c2ccc(I)cc2)nc1-c1ccccc1 8914352 MQZPDMSSAIRTSD-FOWTUZBSSA-N 485.350 5.827 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc(Br)c1O 9075661 JLWRLKFXSSMZJQ-NVMNQCDNSA-N 469.404 6.549 50 40 JKGB CCn1c(SCC(=O)N/N=C(/C)c2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1 9186813 UUHPVMBDQCNGEE-QRVIBDJDSA-N 492.830 5.013 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCc1ccccc1 9200876 SAXCIZBJEKFJOK-CVKSISIWSA-N 467.363 5.499 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccccc1O 9836780 PDTLFDZWJDIASD-WPWMEQJKSA-N 492.004 5.234 50 40 JKGB CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 12250204 IQRJUDAHJXUJJG-QFIPXVFZSA-N 455.942 5.136 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)ccc1O 12437042 LPWAEDWSRORNCO-WOJGMQOQSA-N 466.518 6.238 50 40 JKGB CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1 13769583 XXSMFHPRPASHHH-XQNSMLJCSA-N 485.565 5.004 50 40 JKGB C[C@H]1C[C@H]2C(=CCCC2(C)C)C[C@@H]1/C=N/NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 15134588 VBYMCZWEOZFNSW-AQAVXMQQSA-N 471.645 5.445 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1 35494351 NUFGYLAMECVZMJ-WGARJPEWSA-N 487.781 5.383 50 40 JKGB Cc1cc(Cl)ccc1OCCn1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc21 41078046 GZHWDDWBGSKRSD-HMMYKYKNSA-N 457.917 6.655 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1 59117001 HEZBLGSIKLPZQA-QGOAFFKASA-N 490.788 6.651 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 59225018 IKOWCOLWQAHZPU-SFQUDFHCSA-N 477.860 5.022 50 40 JKGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OC 59473415 LJZUDYBMXLKQBA-JVWAILMASA-N 466.990 5.970 50 40 JKGB CCCCCCCCOc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2C)cc1 100034748 TXTRLSWXSXGREB-DFKUXCBWSA-N 485.628 6.751 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cc(Cl)ccc3N[C@H]2c2ccccc2)[C@@H]1Cl 101147906 XZHNHHBEPYCAEN-QNBQWMASSA-N 471.409 7.287 50 40 JKGB CCCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC 108912098 ZUGQHHYEXAQDIY-XNTDXEJSSA-N 463.759 5.836 50 40 JKGB Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](C)CC(C)(C)N2C(C)C 223606355 YMYQIWLUBBZICO-KCBNLNMNSA-N 470.444 7.348 50 40 JKGB CCOc1cc(/C=C/C(=O)Cl)cc(Br)c1OC(=O)c1cccc2ccccc12 226364895 DTXODOGLZCFJEE-ZHACJKMWSA-N 459.723 5.999 50 40 JKGB CC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1)N2 229974291 BGFCFSUMQMMXNS-FRTMRTDSSA-N 479.001 6.836 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccc(Cl)c(Cl)c1 408549203 QSZQQVZCUJWZGB-CFRMEGHHSA-N 474.387 8.188 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2Br)cc1 408794343 RZLCGNVPENEYAC-LPYMAVHISA-N 475.386 6.499 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1c(C)ccc2ccccc12 408804781 ZKCPZZBVFRFNBS-YZSQISJMSA-N 490.603 7.288 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccccc1F 408807307 BSKMCXWGIPXFIU-BOPFTXTBSA-N 496.292 5.621 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc([N+](=O)[O-])cc2)cc1 408817782 UNJJZGITIZUWPL-KGENOOAVSA-N 457.486 5.290 50 40 JKGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccccc3)cc2)c1 408840340 ASUVLIUUUHSZLH-NDZAJKAJSA-N 477.520 5.230 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccccc1Cl 408849256 VXWLKAGIAICQDN-LQNQUEJISA-N 488.971 6.556 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 408865373 CBXFSXLYZJUDEV-HAVVHWLPSA-N 450.513 6.666 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1Cc1cccc(F)c1 408882913 OPFNAYSHWFJWPP-GIJQJNRQSA-N 469.343 6.668 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1cc(C)cc(C)c1 408889357 CXNAZEVKJVLRCL-OEAKJJBVSA-N 474.988 6.789 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccc(Cl)cc1Cl 408926080 XFHWPYZIXUNREU-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc2Cl)cc1 408948876 RQQREURFAAPMNX-VYYCAZPPSA-N 461.905 5.176 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c(F)c1 408966204 KJZIACPESQWUSM-KKMKTNMSSA-N 486.728 5.456 50 40 JKGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)c1 408981687 CKSPFBQEQWXZQU-NHDPSOOVSA-N 461.949 5.697 50 40 JKGB Cc1cc(/C=N\NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1sc2c(c1C#N)CCCC2 408997558 RUJRDUWWEWVUIY-PPDIBHTLSA-N 471.413 5.977 50 40 JKGB CC(C)C[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/C=C/c1ccccc1 409012133 HSJRKHGGTIARHV-UESNRDEQSA-N 476.404 5.107 50 40 JKGB C#CCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2cc(C)ccc21 409036993 WVXLUZLJNKLRBD-DXJNIWACSA-N 456.549 5.870 50 40 JKGB O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1cc2c(ccc3ccccc32)o1 409203689 YGXQLCXFLNDEGL-VYYCAZPPSA-N 452.426 5.445 50 40 JKGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC 409314077 KBCQSFJVRSDSEU-NTFVMDSBSA-N 480.948 5.265 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c(C)n1-c1ccc(Cl)cc1Cl 409392329 PAHHXHHTUSCXAX-IPPBACCNSA-N 465.384 6.116 50 40 JKGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccco2)cc1 910294 KKNZPYUITYVVIJ-VULFUBBASA-N 499.361 5.088 50 40 JKGB N#CC1=C2NC(=O)c3c(sc4c3CCCCC4)N2C2=C(C(=O)CCC2)[C@H]1c1ccc(F)cc1 1024952 HDHDYYGNZQXXEG-NRFANRHFSA-N 459.546 5.246 50 40 JKGB COc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN(CCCl)[C@@H](C)CCl 1668111 GAQMKIYAUCXBBR-HNNXBMFYSA-N 452.813 6.309 50 40 JKGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 2255517 AJYIKMIZOXCGDN-BRJLIKDPSA-N 455.898 5.469 50 40 JKGB C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 2672714 LFALJLFNEZSGGX-HAVVHWLPSA-N 494.982 5.981 50 40 JKGB Cc1ccc2c(c1)[C@H]1C(=S)SS[C@H]1C(C)(C)N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3170451 UBFRPHDXYJIIDV-IAGOWNOFSA-N 465.021 6.170 50 40 JKGB N#Cc1ccccc1COc1c(Cl)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Cl 9323084 CBTNKGPIOCLXQL-PNQUVVCRSA-N 492.284 6.227 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Oc4ccccc4)cc3)n2)cc1OC 9445065 XMZVGFBIAYRKAM-KNTRCKAVSA-N 455.539 6.596 50 40 JKGB N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@H]1c1ccc(OCc2ccccc2)cc1 9693585 AYSNAZRRTKRVGQ-DEOSSOPVSA-N 471.557 5.624 50 40 JKGB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)[C@H](Br)Cc1ccccc1Cl 11692821 BGBFJCYYWUJWKR-MRXNPFEDSA-N 470.219 5.985 50 40 JKGB CC(=O)c1cccc(-c2ccc(/C=N\NC(=O)N/N=C/c3ccc(-c4cccc(C(C)=O)c4)o3)o2)c1 16322038 BNBADTOSDLPYFD-MRSWHFBJSA-N 482.496 5.279 50 40 JKGB CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)C1=O 16741534 OKGZQXLEAIJGJM-ONUIUJJFSA-N 494.595 5.639 50 40 JKGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc1 18193394 IEXCWYJOTIGDKH-RJLXRJTLSA-N 451.570 5.155 50 40 JKGB COc1ccc(-c2nn(Cc3ccccc3Cl)cc2/C=C(\C#N)C(=O)C(C)(C)C)cc1OC 20312830 SUUNSFRSWKWKGN-XDHOZWIPSA-N 463.965 5.791 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1Cl 20348459 ORBQSTZFENRPHP-DEOSSOPVSA-N 494.016 5.446 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)ccc1OCc1ccccc1Cl 33957602 JKXZRXRZGYNLCR-JFLMPSFJSA-N 468.937 5.099 50 40 JKGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)c1 34895606 WNTXHQRHHUNTDC-RDRPBHBLSA-N 450.542 5.483 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(F)cc1 59255731 HCBYKRPBMPYNFD-XQNSMLJCSA-N 466.512 6.502 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 59291878 BFWCABIZRCRXPC-DEDYPNTBSA-N 495.804 6.790 50 40 JKGB CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1 59334030 PPDNRSAVTGDAGS-GRSHGNNSSA-N 469.766 5.830 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1Cl 59920946 CWXLUYJIIQQXNW-STBIYBPSSA-N 464.993 6.379 50 40 JKGB CCCCCCCCCCCCCCSSCCCCCCCCCCCCCC 80265268 PVHFXVCJLSWJAO-UHFFFAOYSA-N 458.906 11.770 50 40 JKGB Cc1ccc(N=P(Nn2cnnc2)(c2cccc3ccccc23)c2cccc3ccccc23)cc1 102130937 CFQGDRPGPWZTFQ-UHFFFAOYSA-N 473.520 6.535 50 40 JKGB CCCCCCCCC[Si](CCCCCCCCC)(CCCCCCCCC)OCC 195754393 YDZAPIAQYVADNK-UHFFFAOYSA-N 454.900 11.220 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1 216067228 GAGUDUURRQLXGP-NDZAJKAJSA-N 452.554 6.280 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(C(=O)O)cc1 408541928 GNVMZHZNPGGCDF-ODLFYWEKSA-N 468.734 6.444 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1cccc(F)c1 408549605 VOMKDWWUSDAMCB-MSXFZWOLSA-N 457.932 7.674 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1ccc(Br)cc1 408579538 HMCRAFDXIKJMNC-WOJGMQOQSA-N 459.170 7.399 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1 408753770 HZBOIURSNUTKLC-VCHYOVAHSA-N 497.334 5.825 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)cc1 408788876 MSQSMGRBDDBEBO-YBFXNURJSA-N 492.329 5.790 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 408797627 GUAQEVCPRFAURA-GNFOSXPUSA-N 488.418 7.089 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(Br)c2)cc1C 408864955 ASCUDFAMXHKWAG-CIAFOILYSA-N 463.350 6.342 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(Cl)c2)cc1 408875961 MRKPIEPZRGJQSY-UDWIEESQSA-N 465.778 6.547 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OCc1ccccc1Cl 409021560 NLSCGXKHYGNSQD-WKIKZPBSSA-N 469.324 6.091 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)c1 409073367 YHVXDCKQYMRKLS-SFQUDFHCSA-N 487.364 5.615 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1cccc(C)c1 409229423 OUODOUXZVGEXRW-DEYGKZMTSA-N 474.988 6.411 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1C 409255023 KFDDMOXHUORMPT-DEDYPNTBSA-N 489.959 5.529 50 40 JKGB O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccc(Cl)cc1Cl 409256458 LJHCNHOSNMSRTM-SSDVNMTOSA-N 457.155 5.015 50 40 JKGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)cc(Cl)c3)=C2C#N)cc1 409320945 DMYNYWFXBVWWPJ-GOSISDBHSA-N 476.385 5.103 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3Cl)c2)cc1OCC 409332620 LCGIWSBHLNWWCM-QRQIAZFYSA-N 466.965 5.870 50 40 JKGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 409356530 HPRVZMBZURDWRA-LGJNPRDNSA-N 472.770 5.244 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)N1CCCC1 409369158 FWUUYDYBSMTNKW-CXUHLZMHSA-N 480.189 5.864 50 40 JKGB CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@@H]3CC[C@]12C 504206734 QEAJZMPKEHYDQO-WXHJUPHHSA-N 463.146 8.467 50 40 JKGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)sc(C)c1C 1453443 PKQVYGFDGYHPFT-MDWZMJQESA-N 475.353 6.264 50 40 JKGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 2190165 LBJFVKAPKDXCFE-DHRITJCHSA-N 469.950 5.211 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 2210050 OZBRAQAPNFLXBG-BSSRNLCFSA-N 469.566 5.150 50 40 JKGB CCSC1=C(C#N)[C@H](c2ccccc2Cl)C[C@@](OC(=O)c2ccccc2)(c2ccccc2)N1 3670790 XBYQFJIHSGJTNX-WXVAWEFUSA-N 475.013 6.615 50 40 JKGB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccccc2)N1 6444275 RHDFNGPFCREOPQ-RUZDIDTESA-N 469.566 5.539 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C\c1ccccc1OCc1ccc(Cl)cc1Cl 13595295 DMDVGINUGKMVPJ-ZMFRSBBQSA-N 492.200 6.028 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 14408740 JDTDATJBXOXEAF-CCVNUDIWSA-N 466.368 5.698 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 14408765 KVXQOGBXHKCTFX-RDRPBHBLSA-N 482.540 5.371 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2ccc(C(C)(C)C)cc2)nc2ccccn2c1=O 16736004 NHGMJGDPAGQEFL-HTXNQAPBSA-N 494.551 5.339 50 40 JKGB CCCC[C@@H](Br)C(=O)Nc1nc2ccc(OCc3ccc(F)cc3)cc2s1 20133040 HCJVAKNJQYMHSS-MRXNPFEDSA-N 451.361 5.907 50 40 JKGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1)c1ccccc1 28214172 QUWFKCRVULTEHS-GCBZOCSBSA-N 496.032 5.227 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccccc2Cl)cc1)[C@H]1COc2cc3ccccc3cc2O1 30802544 MZZROXKTZQKUMX-ZWBHZEOHSA-N 472.928 5.362 50 40 JKGB COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(Cl)c1OCc1ccc(Cl)cc1 33722997 XOTHODYCKXRRDK-VCHYOVAHSA-N 499.444 7.847 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(OCc2ccccc2)cc1 34715117 PHHFZDVSUMUYDR-MIXAMLLLSA-N 482.540 5.274 50 40 JKGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 59473441 YLQFSYWGGWCEGC-OGLMXYFKSA-N 476.598 5.463 50 40 JKGB O=C(OC(=O)c1cccc2cccc(Br)c12)c1cccc2cccc(Br)c12 95681902 WWNFTCFXAULWOO-UHFFFAOYSA-N 484.143 6.515 50 40 JKGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc21 208472722 LLOVRKOAZZGNRA-CHHVJCJISA-N 460.792 6.824 50 40 JKGB FC(F)(F)C(F)(F)C(F)(F)C(C/C=C\CBr)(C(F)(F)F)C(F)(F)F 221478988 PPTIBUNHUKAXDS-UPHRSURJSA-N 453.036 6.272 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 408541115 DUSFVTYSLAXGNS-NDENLUEZSA-N 476.916 5.519 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1cccc(C)c1 408543667 RZTHCDNFBVFGQR-NHDPSOOVSA-N 490.943 5.870 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 408761453 FOCGGVOWQMNENF-LDADJPATSA-N 480.351 5.865 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1 408762809 MHJRHBOPSKCPKQ-XQNSMLJCSA-N 468.534 5.462 50 40 JKGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 408790551 QAUFQLJHGVWTRB-DEDYPNTBSA-N 462.933 5.872 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408792522 AQGKBOAVPNVHAP-LZYBPNLTSA-N 475.734 6.911 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)cc1 408797210 QJTIKYLXSXCFBA-GIJQJNRQSA-N 482.323 6.335 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(Br)cc1 408804926 HIMWULGQJXUGTP-LDADJPATSA-N 481.321 5.721 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(OCc2ccccc2F)cc1 408815172 GXAQYIKXRXRUQX-KQWNVCNZSA-N 483.518 6.497 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c2ccccc12 408838973 LDCQPSTXIVRJQM-OCSSWDANSA-N 492.604 6.788 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1c(Cc2ccccc2Br)ccc2ccccc12 408883370 UDNHPQKBGYGYMM-HAVVHWLPSA-N 481.393 7.047 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408883493 VMQREHPPZTZWSU-VZUCSPMQSA-N 497.121 7.014 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c(C)n1-c1ccc(Cl)c(Cl)c1 408890663 XICMJFFCJMUBHC-OVCLIPMQSA-N 479.194 7.253 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1cccc(C)c1 408985313 WLUOWAOOIWHILC-JLPGSUDCSA-N 456.973 6.810 50 40 JKGB Cc1c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccc(Br)cc1 409214457 VIVPQIOFVWLNQC-ZHZULCJRSA-N 472.342 6.733 50 40 JKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C 409241196 RZQGPLBLLYMVNB-ZDLGFXPLSA-N 457.883 6.620 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)cc2)cc1OCC 409318317 YDZZJGSKUKLZLQ-QRQIAZFYSA-N 464.949 5.646 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2 1436333 BMUWBYNOHOGOKX-QFIPXVFZSA-N 481.474 5.375 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 2304272 KLXAPLPXEANKQI-HKOYGPOVSA-N 471.560 6.787 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1-c1ccccc1Cl 3186051 XPYQURXYXZSJSZ-SFQUDFHCSA-N 457.933 6.608 50 40 JKGB Cc1cc(C(=O)/C(C#N)=C(\S)Nc2ccccc2)c(C)n1-c1ccc(Br)cc1 3252619 XXHPOBUBUOKARB-XDOYNYLZSA-N 452.377 5.816 50 40 JKGB COc1ccc(-n2c(-c3ccccc3)cc3c2CCC(C=O)=C3Sc2cc(C)ccc2C)cc1 8782267 DZESYZRCZLBZJW-UHFFFAOYSA-N 465.618 7.418 50 40 JKGB N#C/C(=C\Nc1ccccc1OC(F)(F)[C@H](F)Cl)c1nc(-c2ccc(Cl)cc2)cs1 9057814 VUKLCTDMLNYOAW-QHSLDKKCSA-N 470.303 6.946 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 9261724 IBYDEZMTPFMZCJ-HYARGMPZSA-N 456.498 5.080 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1)c1ccc(Cl)cc1 9375345 FQOVXPANVIDNKA-VEILYXNESA-N 458.949 5.772 50 40 JKGB Cc1cc(/C=C(\C#N)c2nc3ccccc3s2)c(C)n1-c1ccc(I)cc1 12564941 NKQDKOPALJVGDG-SFQUDFHCSA-N 481.362 6.373 50 40 JKGB CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(Cl)c1OCc1ccc(Cl)cc1 33732418 DHXDCWJBDMQWIL-DHRITJCHSA-N 499.485 6.008 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)c(C)n1-c1cc(Cl)ccc1Cl 33869285 BBTQAFQWVPXNEZ-UVHMKAGCSA-N 452.341 6.024 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 59425706 PDFFFQBMYNIWSN-AFUMVMLFSA-N 498.333 5.099 50 40 JKGB O=[N+]([O-])c1ccc(N=P(c2ccccn2)(c2cccc3ccccc23)c2cccc3ccccc23)cc1 102130928 YQSBOQASEGZIMP-UHFFFAOYSA-N 499.510 7.105 50 40 JKGB O=P1(Nc2ccccc2)N(Cc2ccc(Cl)cc2)CCCN1Cc1ccc(Cl)cc1 104390948 YTKBKROTEAGWJN-UHFFFAOYSA-N 460.345 6.922 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1ccc(C(=O)O)cc1 408543112 PAZPXLKIYKELAB-LSCVHKIXSA-N 469.280 6.243 50 40 JKGB COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)o2)c(C)c1 408568185 IGZQXBUJDFEUEW-VULFUBBASA-N 496.610 5.049 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OCC 408579186 DISLMCQEFJKYHH-MHWRWJLKSA-N 465.185 6.463 50 40 JKGB Cc1ccc(/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1 408579612 IQWKQGXWXNZALB-LDADJPATSA-N 488.790 6.243 50 40 JKGB Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)nn2-c2cccc(C)c2)cc1 408724069 DOGFDRDCBBFRJE-RWPZCVJISA-N 463.368 6.227 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1cccc2ccccc12 408744354 KQBONUSWVJLGSD-UQQQWYQISA-N 462.549 6.672 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2Cl)cc1 408747914 VRVHNLZBSDUKTF-NHDPSOOVSA-N 451.353 6.104 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1O 408758537 MBWIXCDFOLETQD-WZUFQYTHSA-N 456.123 5.406 50 40 JKGB CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OCC 408795393 VGQWPCLVMBJJSA-NTEUORMPSA-N 494.183 5.555 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc(F)c1 408816052 SHZYWNKHIYSQAN-WKIKZPBSSA-N 497.320 5.686 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OC 408830081 NNWWOZCOMXHVOY-RCCKNPSSSA-N 476.960 6.262 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1[N+](=O)[O-] 408859814 ZWSRTTMRLUPVBW-ROTLSHHCSA-N 495.333 5.583 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(-c3ccccc3)cc2)c1C 408861127 NQBYYZBGWSYTPS-KOEQRZSOSA-N 465.984 7.269 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1Cc1ccccc1F 408868898 OBRWVEOTBLFPPZ-VCHYOVAHSA-N 479.895 5.922 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1OCc1cccc2ccccc12 408880514 KGMCWOWYOCBANK-HZHRSRAPSA-N 482.967 6.935 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)cc2)cc1 408892394 ZENRIFCMKXBHEC-RCCKNPSSSA-N 461.359 6.136 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1OCc1ccc(C)cc1 408965332 VVLZTLKIIGQSDQ-WCMJOSRZSA-N 482.502 6.094 50 40 JKGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)n1 408987979 CFPAXXRDCBDPQU-MDWZMJQESA-N 451.489 5.009 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409050126 ZCGHWCAFBCDFKI-WOJGMQOQSA-N 473.916 5.880 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1ccc(Br)cc1 409058726 SSDAWWUZHNVEQD-LGJNPRDNSA-N 487.781 5.762 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 409070960 MPECFKXFBMMVAB-GZTJUZNOSA-N 470.890 5.089 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1C#N 409187914 DDOQWHKVYYMNFC-CCVNUDIWSA-N 468.340 5.607 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccccc1 409241313 RBQMFYYTAYIMIJ-IWEBCOIVSA-N 496.350 6.265 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)c1C 409258906 WKYXMJVTNPKZAL-XDHOZWIPSA-N 477.923 5.659 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(OCC)c2)ccc1OC 409320961 DAPGFBHSOXDQDC-DXJNIWACSA-N 498.579 5.989 50 40 JKGB Cc1c(C(=O)N/N=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)sc2ncnc(N)c12 409337310 ZGASUSFYCUCIJU-XAZZYMPDSA-N 480.597 5.420 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccc(Cl)cc1 409361006 GIJSEQBYEZOGRU-LSCVHKIXSA-N 498.760 6.483 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(C)cc1 409374680 WNADFZKNPGPWKQ-ZHZULCJRSA-N 452.514 5.352 50 40 JKGB Cc1ccc(Oc2ccc(N3C(=O)[C@H]4C[C@H](Br)[C@H](Br)C[C@@H]4C3=O)cc2)cc1 4179254 YFBVFRGPUZJOKR-CADBVGFASA-N 493.195 5.214 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1cccc2ccccc12 4211324 IZCNKPFRXBAOFV-GBQPJDALSA-N 456.542 5.020 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 10315758 LRHZXDRXPOLUSZ-OKCVXOCRSA-N 494.422 6.396 50 40 JKGB CCOc1ccc(Br)cc1/C=N\NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 16692343 DMJCEOFGYNPKOF-QRQIAZFYSA-N 495.417 5.703 50 40 JKGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1 20158577 XXUZQEUCOKWWNV-CHQVQAOYSA-N 495.988 5.314 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 20197708 RZLYJCTUYSJZJD-MFKUBSTISA-N 454.368 5.409 50 40 JKGB COc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1C 33741763 MYEOJWKYKBIFFQ-NTFVMDSBSA-N 457.530 5.347 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc(C)cc1 35375965 SDPOVFQEVUFSMV-UUYOSTAYSA-N 492.369 6.498 50 40 JKGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N(Cc1ccccc1)Cc1ccccc1)[C@H](Br)C2=O 100814702 FPPROZSUXDYSBL-YNJKOYDBSA-N 454.408 5.374 50 40 JKGB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100844465 OVJOEFOKERIQPI-SUHSUELASA-N 459.590 5.985 50 40 JKGB CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccccc1)[C@@H]2Br 100848595 PFHGIHOSLHPVPM-RLCCDNCMSA-N 480.038 5.311 50 40 JKGB CCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F 103528420 CYWSVEJCARSSKP-AWEZNQCLSA-N 492.301 8.324 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(N(C)C)cc1 107863371 XTQUQWCTMGOHAT-AFUMVMLFSA-N 461.547 5.047 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccccc1F 108162068 KFGADLGMUQRQST-STZFKDTASA-N 487.531 5.404 50 40 JKGB CC(C)N1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2[C@H](C)CC1(C)C 260562834 CDPBYXUITIGWJH-LTKMBJGESA-N 456.417 7.040 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 408570492 VXHXRZAMKMGVRQ-JFLMPSFJSA-N 499.057 5.927 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccccc1Cl 408771738 BYGAZQBURGPWMR-MFOYZWKCSA-N 477.786 5.512 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cn(CCSc3ccc(Cl)cc3)c3ccccc23)cc1 408786038 FJZWPKYCTGTKIR-MNDPQUGUSA-N 488.012 6.641 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccccc1Cl 408796868 QEBDDCZEOZTBGY-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 408797651 SHKDDYQBTIBKJF-VCHYOVAHSA-N 455.316 6.566 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408799570 ZMZHCAJVQPXPMX-LZYBPNLTSA-N 492.189 7.425 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 408803200 MIBVOZPKFWDVKZ-CJLVFECKSA-N 497.392 7.035 50 40 JKGB COc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1 408848095 PLMZNRSCLRIFRJ-MXAYSNPKSA-N 466.335 5.375 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c(OC)c1 408878056 ZGALVVFZEMEWGZ-FYJGNVAPSA-N 469.516 5.069 50 40 JKGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl 408883002 PWYFZDMVEBUACX-UKTHLTGXSA-N 452.135 5.866 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408898791 XQWFBFKBMWUUNB-CXUHLZMHSA-N 482.279 5.666 50 40 JKGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OCC 408965722 XJJGCQYJZDJIMU-BRJLIKDPSA-N 471.273 5.195 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCc1ccccc1C#N 408969952 XQNKTJHRPCOJCN-MUFRIFMGSA-N 469.497 5.055 50 40 JKGB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br 408985132 VQNSZORIGPYFBN-QPEQYQDCSA-N 454.151 6.009 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OCc1ccc(C)cc1 408988746 JERGKZWNUGXFBT-BUVRLJJBSA-N 486.999 6.819 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)cc2c1 409187399 PZOMSPQPNDQATA-MSXFZWOLSA-N 453.838 5.417 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c(C)c1 409244731 HZUAYODUNMNYDC-NDENLUEZSA-N 481.474 5.754 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Br)c2)cc1 409272867 SZSCBWOBOGRBHT-VYYCAZPPSA-N 494.389 5.156 50 40 JKGB C[C@H](CCC(=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 2049238464 XNTZTQJAAZNSGD-UZVCNUAXSA-N 453.461 6.089 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(C)c3)C(=O)N2c2ccc(F)cc2)cc1 935083 DOAURYFCWSQWJI-FYAMCCBRSA-N 471.557 5.508 50 40 JKGB N#C/C(C(=O)Nc1ccccc1F)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2330989 FKUNMRPUOYWNRX-ZYGWBPEKSA-N 477.948 5.544 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccco2)cc(Br)c1OCc1ccccc1Cl 2946154 KGSMSTJGCBOWNR-FOKLQQMPSA-N 463.715 5.047 50 40 JKGB CSC1=C(C#N)[C@H](c2ccccc2Cl)C[C@](OC(=O)c2ccccc2)(c2ccccc2)N1 3670795 CQSZTXJDLPGIHZ-LVXARBLLSA-N 460.986 6.225 50 40 JKGB Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1 4047957 JOROUOZXRCCJGN-RUMWWMSVSA-N 479.624 5.778 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@@H](c3cc(Cl)ccc3N[C@H]2c2ccccc2)[C@H]1Cl 4131504 XZHNHHBEPYCAEN-PFHNCQMRSA-N 471.409 7.287 50 40 JKGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2Br)cc1 8721778 RMQLHKXLAHBKRE-XODNFHPESA-N 491.307 6.119 50 40 JKGB CCn1c2ccccc2c2cc(N/C=C(\C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)ccc21 8836226 CBLSGSJQTNFJSP-NBVRZTHBSA-N 464.550 6.643 50 40 JKGB COc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccc(F)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1 12250546 BNTVKGQVWGRLSA-DEOSSOPVSA-N 476.573 5.516 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2sccc2C#N)c(Br)cc1OC(C)C 20175485 OACMXPKREUFJSB-VIZOYTHASA-N 460.353 5.114 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc(C#N)c3)c(OCC)c2)cc1 20764848 LRXXJYXRCZTRDE-MUFRIFMGSA-N 477.948 5.352 50 40 JKGB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1C 33360584 KLXUKULISKFYML-ZRGSRPPYSA-N 494.345 5.373 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccc2ccccc2c1 35202013 XQUSRMJQFGCPOF-UCQKPKSFSA-N 457.932 7.674 50 40 JKGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1OCC 59473139 FUTAKSXVXWKFCP-MTDXEUNCSA-N 460.599 5.847 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 59536237 TWZKUWLRAKYYQA-XDHOZWIPSA-N 460.364 6.851 50 40 JKGB CCCCCCCCCOc1ccc(/C(C)=N/NC(=O)c2cc(Br)ccc2O)cc1 97958082 AQOGYONAPXSKSC-NLRVBDNBSA-N 475.427 6.438 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1C 107710025 FFMRKDGICYSWOJ-RWPZCVJISA-N 476.374 5.209 50 40 JKGB O=[N+]([O-])OC12C[C@@H]3C[C@@H](C1)CC(P(=O)(Cl)C14C[C@H]5C[C@H](CC(O[N+](=O)[O-])(C5)C1)C4)(C3)C2 195528724 IRTKAOCEHAXDPQ-PFACBSDKSA-N 474.878 5.103 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc3c(c2)CN(c2cccc(C(F)(F)F)c2)C3)c(OC)c1 408728500 NOXQJTOSMHEAHL-VFLNYLIXSA-N 469.463 5.007 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1OC 408745410 RUFFBMZKIOCVSN-JYRVWZFOSA-N 480.156 5.165 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl 408787439 ACMMSGWVPUWZGX-NTUHNPAUSA-N 453.709 5.134 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OCC 408787805 GNRFVWCFXNQEPC-WOJGMQOQSA-N 453.336 5.022 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccc(O)cc1 408793455 DZLUKFWKZFYNBJ-KGENOOAVSA-N 499.364 6.433 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 408813719 RBJDHPVCPJSMIC-HAVVHWLPSA-N 450.513 6.666 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccc(C)cc1 408854767 AWHMDSOETSEPJP-YBFXNURJSA-N 450.897 5.921 50 40 JKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)c1 408873077 MQHWSFVENPACPH-YBFXNURJSA-N 470.878 6.792 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1c(Cl)cccc1Cl 408887000 KUUOSTLUHACKLE-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB O=C(N/N=C\c1cccn1-c1ccc(Br)cc1)c1cc2cc(Br)ccc2o1 408933282 AGPDOYHQNGXVAC-FMCGGJTJSA-N 487.151 5.512 50 40 JKGB COc1cc(/C=N/NC(=O)CCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408956271 QIKYSPYNUROVFS-CCVNUDIWSA-N 491.802 6.317 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccccc1F 408964678 DBRJBMLNBAUHJS-VFLNYLIXSA-N 469.875 5.231 50 40 JKGB C=CCOc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1 409031827 AWZVJVOBIKRRQP-WPWMEQJKSA-N 454.555 5.882 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1 409089244 ZDKFBMLKMALJBS-NTEUORMPSA-N 499.266 6.148 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)c(Cl)c1 409132624 JOMLUUDFEFQDRD-QHCPKHFHSA-N 484.383 5.311 50 40 JKGB Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)cc1 409224524 KUCSAWPXQDZMEQ-UHFFFAOYSA-N 491.547 5.539 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1OCC 409321439 GJOHZVSQBUZKFD-VEILYXNESA-N 462.546 5.226 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Br)c1OCc1ccccc1Cl 409367710 FAVGCQRZQLZSRF-LICLKQGHSA-N 475.770 5.219 50 40 JKGB CC(=O)c1cc2c(cc1N/C=C(\C#N)c1nc(-c3cccc(Br)c3)cs1)OCO2 1802037 UZNFGASYMRWZOT-NTEUORMPSA-N 468.332 5.480 50 40 JKGB CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(OC)c3OC)c3ccccc3n2)c1 2089803 XUDGSNQUAZOEEW-STBIYBPSSA-N 485.540 5.090 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1C#N 2848408 OBSMRHQBRYRPQK-KEBDBYFISA-N 479.761 6.626 50 40 JKGB COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1Br 3169744 YNCZSYSWTLWRBJ-VULFUBBASA-N 475.427 5.701 50 40 JKGB CCCCCCOc1ccccc1C(=O)N/N=C(\C)c1ccc(OCc2ccc(Cl)cc2)cc1 8386320 BOXCIVYBEYTVJZ-MWAVMZGNSA-N 479.020 7.032 50 40 JKGB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C(C)/C=C/C=C/c2ccccc2)cc1OC 8951300 FTDHOBOWEDRCEE-TYAGQJCXSA-N 495.579 5.236 50 40 JKGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 9323870 OAGYRMPCCOJNSQ-SSDVNMTOSA-N 494.754 5.448 50 40 JKGB Cc1ccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2ccc(-c3ccc(Br)cc3)o2)cc1 12042990 YYALDSRNKYSDMK-FQEVSTJZSA-N 466.360 5.318 50 40 JKGB COc1ccc(/C(C)=N\NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 12468117 OANPFGXMJJRPQH-XYGWBWBKSA-N 494.667 5.625 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc3c(c2)OCO3)c(OC)c1 13424144 ISBHWOQQDZUDLC-GIJQJNRQSA-N 492.915 5.211 50 40 JKGB Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)SCc3ccccc3)c2C)c1 20243853 AJXFEYAVLBOOMG-RXJBCPCZSA-N 498.490 6.245 50 40 JKGB O=C(c1ccc(Cl)cc1Cl)[C@@H]1O[C@@]1(CBr)c1ccc(Cl)cc1Cl 23234498 MXBHCTXNQDNXRS-HOTGVXAUSA-N 454.962 6.172 50 40 JKGB O=C(N/C(=C/c1ccc(Cl)cc1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1 100401994 CABXEBKNOCYUFI-QOMWVZHYSA-N 457.897 6.083 50 40 JKGB CCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1cccc2ccccc12 108221535 XHHNULHSSSTBIA-ONUIUJJFSA-N 453.380 6.325 50 40 JKGB CC(C)N1c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2[C@H](C)CC1(C)C 260569298 PHIRUAFHPWGZMO-HPKGMJOESA-N 466.423 6.495 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 408581555 XWYXQCGBIMITDH-SFQUDFHCSA-N 474.763 5.934 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1 408604475 JSDHIECTJYAOAO-XDHOZWIPSA-N 497.511 5.178 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(F)cc1 408745439 SGVXXZMYJGQBNJ-PDGQHHTCSA-N 481.321 5.721 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccccc1Br 408754155 MFEYFXWBXFDFFS-FMIVXFBMSA-N 472.682 5.816 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OCc2cccc(Cl)c2)c1 408799956 MAHPNTZZHKSCQT-LICLKQGHSA-N 487.770 6.780 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(OCc2ccc(F)cc2)c1 408803149 LSTZKVKVFWQAPI-XDHOZWIPSA-N 450.897 5.921 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1OC 408847696 UEAUKSBVOLQVLK-MZJWZYIUSA-N 492.988 5.988 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408851585 LLJGJRVZOOFVLG-UDWIEESQSA-N 451.353 6.735 50 40 JKGB COc1cccc(C(=O)N/N=C/c2cc(C)c(OCc3ccc(Cl)c(Cl)c3)c(C)c2)c1 408855333 CEYXDGJSYCIBER-UVHMKAGCSA-N 457.357 5.962 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc(C)c1 408856939 LSWVWPCWYOCXLL-VYYCAZPPSA-N 493.357 5.855 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1Cc1ccccc1Cl 408873666 UQQCXODWGUMEKY-CIAFOILYSA-N 465.380 6.837 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1Br 408879871 HPJQHMFTAVLEFR-FYJGNVAPSA-N 491.385 6.199 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408890118 OCQLFPIIJDNRDY-MHWRWJLKSA-N 482.279 5.666 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2F)ccc2ccccc12 408899555 QHCKMOODAGQTOU-KGENOOAVSA-N 470.931 7.065 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OCc1ccc(F)cc1 408925518 RUHRCADDECMEIW-VCHYOVAHSA-N 485.342 6.574 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)c1C 409067947 RNJIIKKYYFPMGT-XMHGGMMESA-N 466.946 5.270 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 409163374 QNYUUMBTGUOMLV-FUSDPXDGSA-N 482.367 5.076 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1OCC 409337077 WNUMRKCBFGLHDO-MBTHVWNTSA-N 487.383 6.134 50 40 JKGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Cl)cc1 409374986 COBONVWMJPKOJI-CPNJWEJPSA-N 475.932 5.220 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1cccc(C(=O)O)c1 409389407 AXFHUFUDMWLLAZ-JMIUGGIZSA-N 496.332 6.328 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cn(CCOc3ccc(C(C)(C)C)cc3)c3ccccc23)cc1 813041 UJFBCZVWMOLBPT-ZBJSNUHESA-N 493.607 6.572 50 40 JKGB O=C(N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)[C@H]1COc2ccccc2O1 2351310 RHFRSEUPXZXWQL-DYBMTSPVSA-N 451.693 5.197 50 40 JKGB N#C/C(=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1nc2ccccc2s1 4108478 JVIVOXNHNCVCRC-CJLVFECKSA-N 484.584 6.998 50 40 JKGB O=C1c2ccccc2O[C@H](c2ccccc2)[C@]1(Br)[C@H](Br)c1ccccc1 4285480 ONSKQBKXYIPURM-FCEUIQTBSA-N 472.176 6.273 50 40 JKGB C/C(=N\NC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 8399076 UQTQRZQOZZQEEH-FOKLQQMPSA-N 457.155 5.015 50 40 JKGB COC(=O)CSC1=C(C#N)C2(CCCCC2)[C@@H](c2nc(-c3ccccc3)cs2)C(=N)N1 8856863 UCXXGNUFACMINY-LJQANCHMSA-N 452.605 5.066 50 40 JKGB O=C(CCc1nc2ccccc2[nH]1)NNC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 9466748 CQSSHNYJDNOZTI-UHFFFAOYSA-N 490.563 5.203 50 40 JKGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1)C12CC3CC(CC(C3)C1)C2 12599479 KQYBVAWOPMEEBP-WCMJOSRZSA-N 490.554 5.807 50 40 JKGB CC(C)COC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 17113284 YGULNNFSLYZTOD-UYRXBGFRSA-N 471.538 5.706 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC(=O)c1ccc(C)cc1 20175842 RHUBOPDAWGQYAP-DEDYPNTBSA-N 494.469 6.177 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(OCC)c1OCc1ccccc1Cl 35169327 RBQFPEBBFOBRHU-QRQIAZFYSA-N 480.007 8.264 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCCOc1ccccc1 41078070 QDLIDZFMLUYGIM-CAPFRKAQSA-N 485.565 5.698 50 40 JKGB CN(C)C(=O)/C(C#N)=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 59333534 LXHFDLPQLYIQBQ-HAVVHWLPSA-N 496.408 6.569 50 40 JKGB O=P1(N2CCCCCC2)N(Cc2ccc(Cl)cc2)CCCN1Cc1ccc(Cl)cc1 100359410 CBOCLSXCXFSILK-UHFFFAOYSA-N 466.393 6.685 50 40 JKGB CCCCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(CCCC)cc1 110100175 OSLPJFGNABQCDT-RRAHZORUSA-N 487.482 7.295 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 207049019 MOQGSMAGEXAVEB-DEDYPNTBSA-N 451.353 6.680 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1cccc2ccccc12 209487857 FFXSGRGEVXHMMZ-MFKUBSTISA-N 453.969 7.844 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1cccc(C)c1 408579946 LUKXMEVSPOOPQY-WOJGMQOQSA-N 467.352 6.392 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408580737 RMEVFEBMFVZHJL-VCHYOVAHSA-N 499.748 6.662 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc(Cl)c(Cl)c1 408735602 UWPXRTOAEFJDFE-SZVPOVDMSA-N 475.372 5.173 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc(I)cc1 408757964 FAVVIURVYLJUQV-KAMYIIQDSA-N 485.237 5.005 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OCC)c1OCc1ccc(Cl)cc1Cl 408775061 YHYFQWSRYSBBAT-JAIQZWGSSA-N 473.400 6.131 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)c2C)sc2c1CCCC2 408785413 YURPHLAALBARTO-STZFKDTASA-N 487.625 5.984 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)c1ccc(F)cc1 408785566 ZRZAHNPFGKYCGE-ODLFYWEKSA-N 499.279 5.772 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408795968 WRZAUZOVKULLPJ-LZYBPNLTSA-N 475.734 6.911 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2cccc(F)c2)c1Cl 408817030 KNFMBLXVZSUCQB-OPEKNORGSA-N 464.280 5.410 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)ccc4O)cc3)cs2)cc1 408838515 FVPFKSJOWMWBGA-LGJNPRDNSA-N 462.962 5.985 50 40 JKGB COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 408847596 QPASWKKKDNFCIU-QRQIAZFYSA-N 484.512 5.142 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=N\NC(=O)c2cc3ccccc3o2)c1 408849494 WDSOBJYWFHIPQO-WGARJPEWSA-N 463.331 5.847 50 40 JKGB N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1 408868698 AUUNFKXAYLLQPD-WOJGMQOQSA-N 469.741 6.378 50 40 JKGB Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 408878847 CKTYSWYZLIQUJQ-CIAFOILYSA-N 468.906 7.112 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 408885155 YAOYDMOVRDZMAB-KBKYJPHKSA-N 468.167 6.643 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1cccc2ccccc12 408963092 MMRILCPYALNRLK-WCMJOSRZSA-N 478.470 6.210 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1ccc(Cl)cc1Cl 408968782 ZBYNVPOYCIIPDM-VFLNYLIXSA-N 486.330 5.746 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1ccc(-c2ccccc2)cc1 409017223 LPMYSUQTXPQGDK-OCSSWDANSA-N 467.956 6.925 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1 409041525 WBAFHALZQNGFJT-VULFUBBASA-N 462.962 5.980 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccccc2[nH]1 409069697 XEKWMBWBLIWRBF-RVDMUPIBSA-N 470.337 5.702 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 409254176 DBZAPRBNVMMYRD-MZJWZYIUSA-N 473.356 5.744 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(O)c(Cl)c2)ccc1OCc1ccccc1 409310038 PMLXRNOVNFCBIF-ZMFRSBBQSA-N 459.329 5.441 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(I)cc1 409368272 QTUAOFACUVDVFC-UYRXBGFRSA-N 471.725 6.588 50 40 JKGB CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)sc2c1CCCC2 2276527 WVYIEAMJRXACSB-OBGWFSINSA-N 492.572 6.529 50 40 JKGB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(N(CC)CC)cc1 2670141 ZLNFTXFFJHCBHH-JWGURIENSA-N 487.625 6.292 50 40 JKGB Cc1ccccc1NC(=O)CSC1=C(C#N)C(=O)N[C@H](c2ccc(Cl)cc2)N1c1ccccc1 2670607 NXGIABYQBWOPEY-DEOSSOPVSA-N 489.000 5.391 50 40 JKGB Cc1ccc(C2=CS/C(=C(\C#N)C(=O)CSc3nnc(-c4ccccc4F)n3C3CC3)N2)cc1 3358768 QARXIYIJRLJJQW-LYBHJNIJSA-N 489.601 5.459 50 40 JKGB N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1nc2ccccc2[nH]1 4113038 VANQQWDOSPWJAP-FMIVXFBMSA-N 456.752 6.787 50 40 JKGB COc1ccc(C(=O)[C@H](Br)[C@H](c2ccccc2)[C@@H](c2ccccc2)[N+](=O)[O-])cc1 4416983 QUHIKLXZWCRTRL-BHDDXSALSA-N 454.320 5.443 50 40 JKGB CCOc1ccc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)cc1OC 9693258 FCDIMNHGFCSGLU-QGZVFWFLSA-N 469.994 5.275 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1OC 10004060 XVCHLLCYPKBWFS-IPPBACCNSA-N 496.394 5.706 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C\c1ccccc1OCc1ccccc1Cl 13595285 QQEUHSVWNQYFNR-QFEZKATASA-N 457.755 5.374 50 40 JKGB Cc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1ccc(Cl)cc1 28217174 ZKNCCPRWAMTVDT-OKCVXOCRSA-N 486.040 6.701 50 40 JKGB Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)cc2c1O[C@@H](C)C2 40022338 NFHGQXGZDPYELG-NGIIGVMLSA-N 471.564 6.122 50 40 JKGB CCCCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 105414422 QIDCYRNLMWVQOI-JLPGSUDCSA-N 476.371 5.861 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 106372281 BLISGFQDSLUMBN-OKCVXOCRSA-N 451.501 5.754 50 40 JKGB Cc1nc([C@@H](O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)sc1CO[Si](C)(C)C(C)(C)C 217390372 IKLGLYASSRKEHR-WMZOPIPTSA-N 456.725 5.796 50 40 JKGB CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1OCC 408539350 VSXMAWMHTHHRHY-CEUNXORHSA-N 493.673 7.020 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C#N)cc3)cc2)c(C#N)c1C 408546946 PESAULKDRLFWPD-WSDLNYQXSA-N 495.560 5.274 50 40 JKGB O=C(N/N=C\c1ccc(OCc2c(F)cccc2Cl)cc1)c1cc2c(ccc3ccccc32)o1 408602391 NFCZISCIBSFWIV-MNDYBZJGSA-N 472.903 6.721 50 40 JKGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 408725927 QWNAVLJSROEZFJ-TWKHWXDSSA-N 487.519 5.878 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc(Cl)c1 408733810 AEMAVKLZRFTVQJ-LICLKQGHSA-N 485.740 6.366 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1 408742786 PWYQYYXIRZFHNX-KQWNVCNZSA-N 472.972 6.592 50 40 JKGB Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)o2)cc1[N+](=O)[O-] 408763506 SNUGMAMULYXMEP-DHDCSXOGSA-N 452.264 5.471 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 408783427 OZXULFBDKDNQGK-UYRXBGFRSA-N 481.379 6.689 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCC#N 408797279 RAYHLXQPOIHSBF-CJLVFECKSA-N 453.498 5.112 50 40 JKGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3F)cc2Br)cc1 408815758 UYBDHRWWXZYHSG-UNOMPAQXSA-N 465.322 6.021 50 40 JKGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 408829059 NNEMFLVVZAANOI-STBIYBPSSA-N 481.427 5.075 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3cccc(F)c3)c(OCC)c2)cc1 408865042 AHDKEBFATGTIQM-UDWIEESQSA-N 478.951 6.413 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 408865161 BKUCNXUZOLNOLH-UDWIEESQSA-N 491.931 5.944 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1 408879050 FBNQOYCHRCBZAC-WKULSOCRSA-N 479.363 6.498 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408923796 KFFAXEMLXQKGTE-LFIBNONCSA-N 471.727 6.412 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1 408963951 ATWZLOJOUTWWCS-RPPGKUMJSA-N 473.312 5.043 50 40 JKGB Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1C 408997631 HNISJDGIZUGDGM-LJUMEUDFSA-N 476.580 5.329 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)ccc3OCc3ccccc3)cc2c1 409186946 JZWIPTPYNQETMK-DICXZTSXSA-N 493.357 5.937 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc2ccccc2c1 409193007 GYNAMPPOJDJNJU-WKULSOCRSA-N 479.363 6.498 50 40 JKGB N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)NCCCc1ccccc1 409245321 QVNJNDPLTIDURI-OOAXWGSJSA-N 469.588 6.499 50 40 JKGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 1780877 LZBAWOSFLZCLKB-RGVLZGJSSA-N 474.365 5.919 50 40 JKGB COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)c1 1792993 LEZJTLRDIURKSW-JFLMPSFJSA-N 492.004 5.147 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1cccc2ccccc12 8812407 TVBBFNARTVXHDM-OKCVXOCRSA-N 476.935 6.374 50 40 JKGB CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 9234209 MKIMOGWZAZUFQH-VGOFMYFVSA-N 483.131 5.400 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1ccccc1C(F)(F)F 9292639 HFVMNEDSSNNARD-JOCHJYFZSA-N 488.469 5.893 50 40 JKGB COc1ccc(Oc2ccc(/C=C(\C#N)c3nc4sc(C)c(C)c4c(=O)[nH]3)cc2[N+](=O)[O-])cc1 9539531 VDOZENSITSKZDX-MHWRWJLKSA-N 474.498 5.375 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1cccc2ccccc12 9763025 LISQNKVSBUXFAW-MFKUBSTISA-N 499.086 6.270 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(Br)c1O 12140027 ZDOAXQHFCWRNPZ-QGMBQPNBSA-N 463.356 6.504 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 20763929 QSBDONQLXNMTIA-RWPZCVJISA-N 487.383 6.134 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1cccc(F)c1 33390307 WMKJFDOIFIENPU-OCSSWDANSA-N 472.516 5.729 50 40 JKGB Cc1cccc2c(-c3ccccc3)c(-c3ccccc3)n(CCC(=O)N/N=C/c3ccc(C(C)C)cc3)c12 39983666 ICEWSKUKKWJICK-QCFMCPCVSA-N 499.658 7.948 50 40 JKGB N#CC(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)/C(O)=N/c1nc2ccccc2s1 41120715 OOMUCGYSIRXSAW-QGOAFFKASA-N 468.969 7.148 50 40 JKGB O=P(C/C=C/CP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 98175077 UPYDBNXBHCXBPS-BUHFOSPRSA-N 456.462 5.571 50 40 JKGB c1ccc(P(c2ccccc2)c2cc[cH-]c2-c2[cH-]ccc2P(c2ccccc2)c2ccccc2)cc1 100027459 LQCMQUZUFVGGOK-UHFFFAOYSA-N 496.530 6.308 50 40 JKGB Cc1ccc(C23C[C@H]4C[C@@H](CC(NC(=O)N/N=C/c5cc(Br)ccc5O)(C4)C2)C3)cc1 102964864 HIOPAIHROSQMQS-CKWSBGNWSA-N 482.422 5.387 50 40 JKGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc21 107874544 AHFGGKBMFHFGMC-CCVNUDIWSA-N 479.521 5.448 50 40 JKGB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCl)CC[C@]4(C)[C@H]3CC[C@@]21C 123225591 WUBOZGDSEKAKCR-MSKYUDLASA-N 465.162 8.258 50 40 JKGB Cc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c(C)n1-c1ccccc1I 408599456 VBXPXRNBTRWGRZ-SFQUDFHCSA-N 496.377 6.232 50 40 JKGB O=C(NNc1ccccc1OCc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408612262 YAIANKDNRSIZRX-KRWDZBQOSA-N 470.356 5.069 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1 408746496 ZRDBDRDURFBESS-JMIUGGIZSA-N 462.336 6.298 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2Br)cc1 408765412 PLAWCXFBAADBGL-NBVRZTHBSA-N 461.315 5.522 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 408788947 GPTIKPUISFYHMQ-CPNJWEJPSA-N 477.904 5.772 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(OCc2c(C)ccc3ccccc23)c1 408803413 OPQCVMIHMQXEOR-OEAKJJBVSA-N 496.994 7.243 50 40 JKGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)o1 408850168 HIAIRKPSDRIWDW-MYKKPKGFSA-N 467.275 5.226 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1Cc1ccccc1Cl 408875985 IJALDVCHGLPVGU-VXLYETTFSA-N 499.825 7.490 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1c[nH]c2ccc(OCc3ccccc3)cc12 408899430 PDPGKSRBJWTABH-YBFXNURJSA-N 452.470 5.509 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1F 408948423 GDABQTWSJOGNBX-HAHDFKILSA-N 483.543 5.551 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1 408980314 QMXYJBOWRZSEII-LUNPLWTBSA-N 495.579 5.746 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1F 408984697 SOXQOXGSJIMHGQ-HMAPJEAMSA-N 460.936 6.641 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409047955 QDGXBPZSDZTCEO-XDHOZWIPSA-N 475.932 5.220 50 40 JKGB N#C/C(=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1)C(=O)Nc1ccc(Cl)cc1 409218531 FQLIDFILPQNDDG-ATVHPVEESA-N 466.324 5.557 50 40 JKGB CCc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 409361339 CKMZEWVKNKMFRX-DICXZTSXSA-N 485.809 5.937 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(-c2c(Cl)cc(Cl)cc2Cl)o1 625570 VWXGWSRTOORMKR-SFHVURJKSA-N 463.748 6.358 50 40 JKGB CCCOc1ccc([C@H]2[C@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 2118107 KRSXPVNJGBGZTK-QVNIBDNGSA-N 458.606 5.740 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]12 8766642 SHGQHJXEYIXIDA-LYXINOJLSA-N 467.572 6.307 50 40 JKGB Cc1cc(C)cc(OCCOc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)c1 9299677 LVUVABXWYHAXSG-RCCKNPSSSA-N 491.385 6.069 50 40 JKGB O=C(N/N=C1/C(O)=Nc2ccc([N+](=O)[O-])cc21)c1ccc(COc2ccc3ccccc3c2)cc1 9592453 NWHRGIKAZLDMPL-UHFFFAOYSA-N 466.453 5.063 50 40 JKGB Cc1ccc(SCCC(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1 13125950 FSBVSVFHVSBINQ-UHFFFAOYSA-N 476.627 5.107 50 40 JKGB CCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c(OCC)c1 13372279 KEDVDQSNCJVSNJ-GZTJUZNOSA-N 455.377 6.434 50 40 JKGB CCOc1cc(/C=C(\C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 15013770 IZWWOHRTZCJVGW-KEBDBYFISA-N 451.881 6.219 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 20247316 PSOAZBRPIIXBSN-APWQXFQUSA-N 486.641 5.071 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccc1Br 20760338 XVYGLRRGXFJIFY-LGJNPRDNSA-N 466.766 5.869 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 59336423 KXKPFUYBGIBYDF-JCMHNJIXSA-N 496.397 7.695 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1 59536268 IOFBVEAGJDYEQY-DEDYPNTBSA-N 462.933 5.872 50 40 JKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3cc(C(F)(F)F)ccc3Cl)n2)cc1 85877982 PIOMUGGGKFRMAQ-SFQUDFHCSA-N 461.940 7.657 50 40 JKGB CCCCCCCc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc(CCCCC)cc3)cc2)cc1 98044713 AZUBINITRVYAJR-UHFFFAOYSA-N 484.684 7.674 50 40 JKGB Cc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)c(C)n1-c1ccc(Cl)cc1 106953455 NXSISNRPMUPRLD-CCVNUDIWSA-N 456.933 5.011 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3cccc(I)c3)cc21 223479100 JUSYYRRFASZYTK-AFUMVMLFSA-N 487.385 5.465 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1Cl 408539033 DQYZVWCTAJZGEX-CFRMEGHHSA-N 472.210 6.479 50 40 JKGB Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(Br)c(Cl)c1 408568298 IVOPMFFJKUBYFT-NVNXTCNLSA-N 469.745 6.590 50 40 JKGB CCCOc1c(I)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1OCC 408580235 BJGCLGJCWVPHPS-GZTJUZNOSA-N 463.315 5.551 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1)c1ccc(Cl)cc1Cl 408581529 XQJPSFHXKUJQNB-MHWRWJLKSA-N 457.744 6.728 50 40 JKGB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(-c3ccc(Br)cc3)o2)N2C(=N1)SC(C#N)=C2N 408603372 GEXNXMCACKVXJW-LJQANCHMSA-N 499.390 5.046 50 40 JKGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2Br)cc1 408746167 BWQOKFHBJGTSGR-XKZIYDEJSA-N 461.359 5.560 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccccc1Cl 408787557 BUGWQMWPZCLPKG-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC 408796251 XOTWWCBXYLLRGG-WOJGMQOQSA-N 453.336 5.022 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1c(C)ccc2ccccc12 408814206 OGHJTYPFKHSSDH-OEAKJJBVSA-N 496.994 7.243 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(N5CCCC5)cc4)cc3)cs2)cc1 408839632 UWHYATIYVUGXMR-RDRPBHBLSA-N 481.625 6.226 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccccc1F 408853911 ZQXKMCHNAMIZHB-WKIKZPBSSA-N 452.869 5.577 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408861596 DHXVPIIRHNDZEP-ZMOGYAJESA-N 455.923 5.070 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)c(C)c1 408913300 SQRPTCPOYIPFGX-FDAWAROLSA-N 488.031 6.441 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc(Br)c1OC(C)C 408972364 SCNDDTASZMBDIC-WYMPLXKRSA-N 475.339 5.154 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=N\NC(=O)COc3cccc4cccnc34)cc2Cl)cc1 409021628 QVFFXLROILBSSV-CPDSRJINSA-N 494.378 5.958 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)C(=O)NCc1ccccc1 409089485 IRZRYOPINMBIKP-LICLKQGHSA-N 478.848 5.172 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cccc(Br)c1)C(N)=C(C#N)[C@H]2c1ccsc1 707325 QXQPLNLWHNINEL-LJQANCHMSA-N 454.393 5.451 50 40 JKGB Cc1ccc(Cn2c(SCC(=O)N/N=C/c3c[nH]c4ccccc34)nc3ccccc32)cc1 863904 XZHVXFXWUMTQHH-RWPZCVJISA-N 453.571 5.117 50 40 JKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccs3)c(OC)c2)cc1 1319973 GOSGHYGUUYASIC-AEIQVQRHSA-N 466.559 5.019 50 40 JKGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C)cc1 1888428 QGQUJNCKRJHLAB-DSPRMBBKSA-N 461.370 5.291 50 40 JKGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@@H]1c1ccc(C(C)C)cc1 2309589 CMUUEDKHKFIYNA-XZOQPEGZSA-N 491.613 5.377 50 40 JKGB CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccc(CC)cc2)=C(C#N)[C@@H]1c1ccccc1Cl 2310109 CAGLRNRFHYDRJF-VXKWHMMOSA-N 498.004 5.242 50 40 JKGB C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)c1O 2358540 PGRRCJCTVDFQTF-STBIYBPSSA-N 497.624 5.228 50 40 JKGB CCCCOc1ccc(-c2cc(C(=O)N/N=C/c3cnn(CC)c3C)c3ccccc3n2)cc1 2767784 ZVSCFRMWKMABHY-OGLMXYFKSA-N 455.562 5.369 50 40 JKGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/C=C(\C)CCC=C(C)C)cc2)cc1 6146232 ZGYVXVAOZZEXOZ-NBAFQPDGSA-N 469.607 5.294 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 8767584 IVMWSDNCWBVGPU-CVKSISIWSA-N 469.595 5.391 50 40 JKGB Cc1ccc([C@H]2C(C#N)=C3SCN(c4ccc(C)c(C)c4)CN3CN2c2ccc(C)c(C)c2)cc1 12250573 SDJYEUNQIGTRDM-LJAQVGFWSA-N 480.681 6.953 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)cc1 16688910 UQBHKKKKPAGFAS-NLTRVXJZSA-N 488.012 5.967 50 40 JKGB Cc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 20232001 ZOIBPYKAVMMXLS-UHFFFAOYSA-N 473.614 5.038 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 26123765 BXWUGAQGXUMQHN-RDRPBHBLSA-N 454.526 5.590 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(Br)c3)[nH]c2c1 33560803 LDHZCIPAWMSXGL-ZDLGFXPLSA-N 489.329 6.185 50 40 JKGB C=CCc1ccccc1OCCOc1c(Cl)cc(/C=N/NC(=O)c2ccncc2)cc1Cl 33761103 GYVACVUSKWXSEK-LQKURTRISA-N 470.356 5.339 50 40 JKGB COc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)cc(Cl)c1OCc1ccc(C)cc1 41120633 GFFWCLMQFKBTOB-YBFXNURJSA-N 489.984 7.041 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(F)c3)NC3=C2C(=O)CC(C)(C)C3)cc1 100945503 BKILWQRQBSEXCZ-DEOSSOPVSA-N 491.588 5.271 50 40 JKGB CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C)o3)C3=C(O)CCCC3=N2)cc1 102878437 MBUKSOUOJLSZBY-QHCPKHFHSA-N 461.543 5.432 50 40 JKGB O=C(O)c1cccc2c1N[C@H](c1ccccc1F)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 245232166 PTUQDKITXDSGSS-HWLDZIHSSA-N 498.963 6.471 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 408579841 KJHPQDWDFKKOEY-VXLYETTFSA-N 498.760 6.452 50 40 JKGB Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OCc4ccccc4)cc3)nn2-c2ccccc2)cc1 408724201 HRNFQSZLQREOCV-RUMWWMSVSA-N 486.575 6.191 50 40 JKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)o2)c(Br)c1 408742463 AKVIOOGSPHXTJQ-SDNWHVSQSA-N 486.163 6.326 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1 408747076 YZQMKXGQGTWKRJ-UNOMPAQXSA-N 467.352 6.517 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1cccc2ccccc12 408755097 TZITZMOOZNHLMD-LGUFXXKBSA-N 454.529 7.118 50 40 JKGB Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3F)cc2Br)c1 408815178 UQDFDSXGGNQGNF-UNOMPAQXSA-N 465.322 6.021 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccccc1 408830765 YWEUFDSPJZRBFD-STZFKDTASA-N 491.360 6.441 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1cccc(F)c1 408854029 VXAKNFXBEWRPHF-WKIKZPBSSA-N 452.869 5.577 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(=O)Nc1ccc(Br)cc1 408886360 GKFVXUZBKVVOCJ-GZTJUZNOSA-N 489.285 5.567 50 40 JKGB Cc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1 408893618 GHDHVGPMVKNNEB-LDADJPATSA-N 451.309 6.067 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc(OC(=O)c2cccc3ccccc23)c1 408895609 LRKPCBKEAHCZHW-LQKURTRISA-N 481.533 5.443 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1cccc2ccccc12 408908646 AULRSVWJIKNHMI-FDAWAROLSA-N 482.580 5.963 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Cl)c1OCc1ccccc1C 408921618 BAQRHYMAUXCFCQ-OCSSWDANSA-N 472.972 6.543 50 40 JKGB Cc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)c(C)n1-c1ccc(Br)cc1 408925566 SDVOPXGDDZMLJT-WYMPLXKRSA-N 483.391 5.240 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 409003377 ZSCSYTGYPRLRSC-YKQZZPSBSA-N 471.988 6.019 50 40 JKGB CCCOc1ccc2ccccc2c1/C=N\NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 409008129 UHELZJVMHPVLNX-YKQZZPSBSA-N 463.537 5.247 50 40 JKGB CC[C@@H](C)n1c(C)c(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2cccc(C)c21 409032518 JEJQNZXHEVUAPT-SFNZXDEDSA-N 474.608 7.208 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4cccc5ccccc45)cc3)cc2c1 409190707 VLXSRHHYAZFYKW-YKQZZPSBSA-N 464.521 6.328 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCc1ccc2ccccc2c1 409230835 GDHSUTCVYZCYGB-RWPZCVJISA-N 486.597 5.077 50 40 JKGB CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(C)cc2)CC(=O)N1 409324961 VPVUROHQGQGXQL-IBGZPJMESA-N 498.446 5.339 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)cc1 2100801 KZYXSTAUDKHQAW-CCVNUDIWSA-N 463.368 5.978 50 40 JKGB O=C(NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1c2ccccc2S[C@@H]2C=CC=C[C@H]21 2280846 WSGJPXYPWJXVJQ-FYYLOGMGSA-N 490.592 5.718 50 40 JKGB COc1cc([C@H]2C(C#N)=C(SCc3ccccc3)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 2316692 LRCXGUSFNOOEOV-DEOSSOPVSA-N 490.625 5.711 50 40 JKGB CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 3261495 KDCMUADKQIFPCZ-LTGZKZEYSA-N 463.553 6.573 50 40 JKGB COc1ccc(Oc2ccc(/C=C(\C#N)C(=O)Nc3c(C)cc(C)cc3C)cc2[N+](=O)[O-])cc1 3329147 RVZRHVROVLBSCX-DEDYPNTBSA-N 457.486 5.867 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(F)c3)N=C3CC(C)(C)CC(O)=C32)cc1 8837004 JHLFNOVZMQPVAN-DEOSSOPVSA-N 491.588 6.112 50 40 JKGB COc1cccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 9187317 OQRJWIQCFSENAC-RVDMUPIBSA-N 457.402 5.244 50 40 JKGB CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCc2cccc3ccccc23)c(OC)c1 9234133 CHICFPONIFNOIY-YBFXNURJSA-N 466.331 5.660 50 40 JKGB Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2C)ccc1Br 9259118 MUKMLENGDHKMHK-PDGQHHTCSA-N 452.327 5.850 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(-c2ccccc2OCc2ccccc2Cl)n[nH]1 9375263 GQBODDXIMZQTHJ-XODNFHPESA-N 499.785 6.380 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccccc3)n2C2CCCCC2)cc1 9427965 YBDPZQPPFYYLKS-YWQNRBPGSA-N 459.619 5.666 50 40 JKGB N#CC1=C2SCN(c3cccc(Cl)c3)CN2C(=O)C[C@H]1c1c(Cl)cccc1Cl 9693568 AWIWZHFNNYMQBQ-CQSZACIVSA-N 450.778 5.866 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc(OC)c1OC(C)=O 12140005 OERQBYWKXIFQBW-SRZZPIQSSA-N 462.571 6.015 50 40 JKGB COc1ccc2c(-c3ccccc3)cc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)nc2c1 13015286 DXRSWWNJLZJMGL-UHFFFAOYSA-N 464.550 5.844 50 40 JKGB CC(C)(C)c1ccc(Oc2ccc(/C=C(\C#N)C(=O)NCCc3ccccc3)cc2[N+](=O)[O-])cc1 15978654 WLMIDHPOJAILHV-OQKWZONESA-N 469.541 5.950 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)ccc1O 20240597 QYHGVTUZRHXTIA-TWKHWXDSSA-N 471.601 5.010 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 28216076 WNGDRRQOYTVJLU-KBKYJPHKSA-N 480.848 6.438 50 40 JKGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CSC3c4ccccc4-c4ccccc43)c2C)c1 28217164 QTPOJWVNZAIKCQ-KBVAKVRCSA-N 479.649 6.664 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Cl 59336200 GCKMOQQMNYXCAE-SDQBBNPISA-N 488.154 5.788 50 40 JKGB CCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)I 100501549 BMSIXFZFFSFTSA-JOCHJYFZSA-N 480.515 8.131 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc4c(c3)OCO4)C3=C(O)CCCC3=N2)c(C)c1 102498800 MTAWMQABXYLSCO-VWLOTQADSA-N 487.581 5.673 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3)N=C3CC(C)(C)CC(O)=C32)cc1 102536178 GRTBWQFMZHPOLS-HSZRJFAPSA-N 465.018 7.187 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)c1ccc(C(=O)O)cc1 408542089 GXAZJDIXJFUBIX-GRSHGNNSSA-N 468.734 6.444 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)c1ccc2ccccc2c1 408549417 SLYPOTIFBCJMKJ-KSEXSDGBSA-N 474.343 7.488 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)c2C)c(C)c1 408569526 OKTJSBIFPJDNCG-JFLMPSFJSA-N 479.671 5.719 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccccc1F 408570211 STDAKJLTRQJGGE-MFOYZWKCSA-N 465.887 6.536 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)cc1 408581153 GVNSRFHZELYQLZ-DEDYPNTBSA-N 477.358 5.848 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)ccc1OCc1cccc(Cl)c1 408719872 NPBUBYHENPEHFH-RLWVUDJFSA-N 452.938 5.156 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccccc3)n2)cc1 408725394 OMZVRRSUHRMLLZ-NJZRLIGZSA-N 472.548 5.979 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cn(CCSc2ccc(Cl)cc2)c2ccccc12 408785606 XHAFQLFQTPGHJB-SILNSSARSA-N 472.013 6.941 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1OCc1ccccc1C#N 408795430 LTWNFMPPXXKEGP-JVWAILMASA-N 491.591 6.427 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2Br)cc1C 408801217 SJKIALWDJWEFQW-LPYMAVHISA-N 475.386 6.499 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1O 408807471 CPMYWSWHGBBPLI-ONNFQVAWSA-N 486.547 5.125 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Br)cc3)c(C)c2)cc1C 408859536 XXSQDTIBRIWFRC-OEAKJJBVSA-N 489.413 6.807 50 40 JKGB Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1 408871948 ZYQFGNJYMDXEBY-JJIBRWJFSA-N 450.969 7.247 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1Cl 408872734 PIGSXMFOXGOKND-WKIKZPBSSA-N 477.775 6.388 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 408880079 IWOJIHIVXGDYTL-LICLKQGHSA-N 498.322 6.035 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2F)cc1 408882550 PACHZKWQLWLUNX-XDHOZWIPSA-N 464.880 5.390 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCc2ccccc2)c(Cl)c1 408888513 WIPYBEDHJQHNMU-DHRITJCHSA-N 468.003 5.771 50 40 JKGB Cc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1 408890835 ZYBISZNBMQRSKO-QGOAFFKASA-N 451.309 6.067 50 40 JKGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 408972847 GMSHFDMXVXWTCN-OSLARZAXSA-N 497.542 5.286 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1cccc(Cl)c1Cl 409019771 XVJIWPPJWFVPFA-RAWMCFOBSA-N 460.748 6.564 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl)c1nc2ccccc2o1 409046120 IQZWMBSEHDKAMC-CXUHLZMHSA-N 455.728 7.431 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2)cc1 409046265 JROHOXMQJDRSCO-XDHOZWIPSA-N 467.352 6.517 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OCC)c1OCc1ccc(C)cc1 409069280 WWSPRYOCVQLWPQ-WPWMEQJKSA-N 466.581 5.925 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1OCc1ccc(C)cc1 409075028 WXOSVCSOCDOWGE-WGOQTCKBSA-N 466.581 6.474 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccc(Cl)c(Cl)c1 409094373 DVGVIQPNCCUYMP-XMMPIXPASA-N 497.334 5.528 50 40 JKGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 409121832 WVPLGSZWJAXDPY-MAFAOTQISA-N 473.425 6.512 50 40 JKGB CCOc1cc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1c(Cl)cccc1Cl 409373895 VSBBIQSPSBVASY-NRFANRHFSA-N 474.388 6.149 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1ccc(C)cc1 409390377 FDMOBUGWGMBJDS-JMIUGGIZSA-N 452.323 6.548 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OCC)c1OCc1ccc(Br)cc1 409390560 FVCIXUUPRZTYOI-UCQKPKSFSA-N 492.388 7.359 50 40 JKGB CCc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2240631 BUYWHYXFIOITHF-GUNDDFSMSA-N 453.567 5.314 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OCc1ccc(Cl)cc1Cl 3945098 HHFLLEIQCQXXRX-WOJGMQOQSA-N 464.352 6.532 50 40 JKGB CCC[C@@H]1Nc2c(C(=O)O)ccc([N+](=O)[O-])c2[C@H]2[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]12 6078135 COGRKLXBUHSTNJ-BFLHVINJSA-N 491.953 5.667 50 40 JKGB CC(=O)C1=C(C)NC(SCc2ccccc2Br)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 6137132 IAFHQFFNDZSUGP-NRFANRHFSA-N 484.375 5.576 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(N(C)C)cc4)cc3)cs2)cc1 6245494 BUWIZFSPXDQTGR-JVWAILMASA-N 455.587 5.692 50 40 JKGB Cc1ccc(COc2ccccc2-c2cc(C(=O)N/N=C/c3c(C)[nH]c4ccccc34)[nH]n2)cc1 8818146 FZTZBLTWRFRJLU-MUFRIFMGSA-N 463.541 5.518 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(C)n1CCC(C)C 12542582 XRLBKICZLNHLRT-CAOOACKPSA-N 496.822 6.200 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccccc1Cl 12586003 UJWDUWIPHZYJQT-CAOOACKPSA-N 487.770 6.780 50 40 JKGB C[C@H]1S/C(=N\NC(=O)c2ccccc2NC(=O)c2ccccc2)N(c2cccc3ccccc23)C1=O 12710062 UEFXYZGYYGRWHC-AXBNNCGMSA-N 494.576 5.261 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)cc1C 13174355 CHUNBAQMNZTSQE-DEOSSOPVSA-N 478.017 5.758 50 40 JKGB Cc1c(C(=O)O)cccc1-c1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)o1 14152058 UWFBSEFWXMHWHZ-RVDMUPIBSA-N 457.511 5.311 50 40 JKGB CC1=CCCC(C)(C)[C@@H]1/C=C/C(C)=N/NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1 15911658 BNOCNIRXTZIFLJ-NXYMAISWSA-N 462.663 6.430 50 40 JKGB COc1ccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(F)cc1F 23375187 ZLWJFBBPVXPLIN-NLFFAJNJSA-N 472.495 5.146 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccccc2)c(C)n1-c1ccc(Br)cc1 58916720 WOMIXUOXZKYMOI-ZMOGYAJESA-N 456.409 5.240 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1cccc(Cl)c1 59117125 VNDKBODPGBAANL-LICLKQGHSA-N 480.782 7.195 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1 59291956 MGPPXMJHQWRLPE-LICLKQGHSA-N 474.841 6.623 50 40 JKGB CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 59333996 FEORPGAGGBBXNA-AUWJEWJLSA-N 498.602 5.439 50 40 JKGB CCOc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)CCl)[C@H]3c2ccc(OCC)cc2)cc1 96400887 KOZISSCPCOFRQW-YUEZXFGGSA-N 452.982 5.846 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1C 107753651 QENQNDOYYJADOL-ODLFYWEKSA-N 494.378 6.173 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c2C)c(OC)c1 108142981 OUWQVDIVNKVUQU-STBIYBPSSA-N 498.539 5.450 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Br)cc1 209487454 BCKFABNWZJKTFX-CIAFOILYSA-N 482.805 7.453 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 408567000 CDHLYXWMKTVJIN-XKZIYDEJSA-N 497.526 6.171 50 40 JKGB Cc1c(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)sc(N)c1C#N 408723844 UNXCQQKAMWTIOJ-NSKAYECMSA-N 459.358 5.160 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(C)cc1 408745932 AZSGXYBIKZOOBI-MOSHPQCFSA-N 477.358 5.891 50 40 JKGB N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)C(=O)NC1CCCCC1 408778534 GWLDMHJHJBAGAW-MNDPQUGUSA-N 464.034 6.443 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1Cl 408788384 JURPZFDUECAFPU-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 408791490 ZGQHSXAASSIIRO-YZSQISJMSA-N 490.412 5.038 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(OCc2cccc([N+](=O)[O-])c2)c1 408810305 JKVUCJMZIKPRRZ-YBFXNURJSA-N 477.904 5.690 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c1OCc1cccc2ccccc12 408889835 JQWCYPVIVXPKDS-LGUFXXKBSA-N 484.555 7.126 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1Br 408893819 HTJWRDNWEIWCQI-LDADJPATSA-N 481.321 5.721 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccccc1F 408962370 HVCRPCATKMXFQQ-XKJRVUDJSA-N 480.845 5.849 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 409065752 MZFABBRIKOJURH-JJIBRWJFSA-N 459.567 5.954 50 40 JKGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1c2ccccc2cc2ccccc12 409119144 RMISKIXGSDLCSC-UVHMKAGCSA-N 453.394 6.683 50 40 JKGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 409123261 BGOZKVGKAITYPF-FCLYZYNOSA-N 460.430 6.340 50 40 JKGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 409134884 ONKBHRLDAFEJPR-FQEVSTJZSA-N 475.759 6.041 50 40 JKGB O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc2c(c1)OCO2 409346443 OACQZCIHOODQPU-CCVNUDIWSA-N 458.901 5.565 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1 3889633 NZMZNCIJRDLYOQ-YBFXNURJSA-N 462.889 5.171 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1ccc(F)cc1 6279992 XJZJGOBZEHFAEK-QRQIAZFYSA-N 493.995 5.668 50 40 JKGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)CC(=O)N1 9014868 YOWPKYXUWHGHEN-QHCPKHFHSA-N 483.593 5.285 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccc([N+](=O)[O-])cc1 9019378 CNWDUEXCTYPODO-AFUMVMLFSA-N 498.996 5.254 50 40 JKGB COc1cc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)[nH]n2)ccc1OCc1ccc(C)cc1 9374362 DOJXZWIXEGGOQF-SBQOZUNCSA-N 466.541 5.402 50 40 JKGB N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 12251103 MFZHUXHPQYRETE-XMMPIXPASA-N 488.012 6.138 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 13388000 MTAIQJXYGJJJKY-SFQUDFHCSA-N 477.860 5.022 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1C 59297384 LAWQZMRDBSSHRP-DEDYPNTBSA-N 451.353 6.735 50 40 JKGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1cc2c(cc1Br)OCO2 59401487 YWJAHNDBIGJKGT-OPEKNORGSA-N 481.371 5.131 50 40 JKGB COc1ccc(Cl)cc1CN(Cc1cc(Cl)ccc1OC)C[C@@H](CCl)n1cccn1 69583051 LZPJKJGUROGAHK-HXUWFJFHSA-N 468.812 5.689 50 40 JKGB CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1 96306107 UIOXIWSTTBBMKQ-BKUYFWCQSA-N 480.033 6.810 50 40 JKGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1cc2cc([N+](=O)[O-])ccc2s1 108922104 IHDRLRAZYRJOTM-SSDVNMTOSA-N 473.988 6.440 50 40 JKGB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3C[C@@H](Cl)[C@@]2(Cl)C1 169795109 JFNJWGVLTHTDCN-NMFWYPRQSA-N 499.607 8.618 50 40 JKGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 408592022 XCHUONKEAVWEGP-BHGWPJFGSA-N 461.305 5.082 50 40 JKGB C=C1CC(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)C1 408734008 USVOGBXJRKERKT-FOKLQQMPSA-N 478.184 5.207 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)c(Cl)c3)o2)cc1 408743851 HQZXQEDFGIYHHN-PTNGSMBKSA-N 471.738 6.307 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 408764080 IIGPGMDSTPNSSG-PDGQHHTCSA-N 480.351 5.865 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c(C)c1 408792937 MODBBLFCIGGQHK-VXLYETTFSA-N 485.798 7.388 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1Br 408831368 PGWCAJLWSCRJTQ-KGENOOAVSA-N 491.385 6.281 50 40 JKGB Cc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)c2)cc1 408885931 BSPGEODUWMRPDN-RQZCQDPDSA-N 496.306 5.975 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F 408888150 SUJPPENGNJREHC-WOJGMQOQSA-N 468.887 6.142 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)ccc1Br 408911182 ZBZKAABSALNOCW-RMORIDSASA-N 476.714 5.525 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(Sc2cccc3cccnc23)o1)c1ccccc1 408993866 XOWPOLDZNAKHKE-VICVKWBVSA-N 488.569 5.307 50 40 JKGB N#CC1=C(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)NC(=O)C[C@H]1c1cccs1 409148460 PWHZDPDPQYASGM-LLVKDONJSA-N 471.913 5.131 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc(Br)c1OCc1ccc(C#N)cc1 409149374 DIGDLCLMBTYROW-RGVLZGJSSA-N 494.389 5.264 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCCC)c(Cl)c2)cc1OCC 409309114 BPDJCPXCEMIBGW-QFEZKATASA-N 453.366 5.734 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)cc1OC 409312339 KVHYZDKYFCLIBT-NTFVMDSBSA-N 482.964 5.489 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cccnc1 409368966 VHVKXPRLZVWUFO-KIBLKLHPSA-N 479.161 5.494 50 40 JKGB Cc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 409391003 GRLYQFAQZKKBNG-OCSSWDANSA-N 476.407 6.683 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1c(Cl)cccc1Cl 2077107 GDWKEJFWTJNJFZ-KKMKTNMSSA-N 493.774 5.764 50 40 JKGB CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 3305511 MCMCCSSZFKVVTQ-UHFFFAOYSA-N 492.066 5.465 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccccc1Cl 8916858 CXLSPXPXTICDFJ-JVWAILMASA-N 496.423 5.874 50 40 JKGB N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9057372 WDZNSCDCHCSCHK-FYJGNVAPSA-N 483.911 6.526 50 40 JKGB CC(C)c1ccc([C@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)cc1 9693338 FQIDWCGSCLZKNL-HXUWFJFHSA-N 468.420 5.792 50 40 JKGB CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1OCC 19594660 RMVXHIMJILSSQC-GDNBJRDFSA-N 494.304 5.163 50 40 JKGB CCCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1 19939750 GCDYBRYIBAQJMU-QHCPKHFHSA-N 482.005 5.361 50 40 JKGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1 30738550 JJDFFVSWPGTKHO-OCZZZQCFSA-N 484.552 5.186 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1F 35058998 IBJXHWWQYATKLL-NDENLUEZSA-N 492.775 8.038 50 40 JKGB C/C(=N\NC(=O)[C@H](C)SCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 58917434 DRNFWIJUNWUDPS-OHGVBLFMSA-N 499.655 6.814 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 59249484 WVYDKOSBTFQKMH-SSDVNMTOSA-N 465.756 5.619 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cccc(Br)c1 59333092 IVGVPOUJUMGDKS-JWGURIENSA-N 489.417 5.112 50 40 JKGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=C2CCCCCC2)cc1 59472980 RJASBUQTAMYRSR-UHFFFAOYSA-N 489.641 5.831 50 40 JKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1F 100843692 LFMVLTARPOELNG-GXDHUFHOSA-N 482.334 6.103 50 40 JKGB CN1/C(=C(\C#N)C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)Sc2ccccc21 103400011 ADFMRESUHZJKAS-QJOMJCCJSA-N 471.567 5.166 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 107948259 CQWCOPDHSISDSF-NVMNQCDNSA-N 465.849 5.808 50 40 JKGB O=C(N/N=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 408566056 DDDIOLSXQSYFQQ-DICXZTSXSA-N 459.889 5.744 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 408568820 LFIJSQAKWGPGHD-JAIQZWGSSA-N 484.487 5.990 50 40 JKGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 408611244 QJPCGFFKGARYHC-WKULSOCRSA-N 498.410 5.786 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OC 408760296 WGFSEDNFLNPUMS-QPEQYQDCSA-N 480.156 5.165 50 40 JKGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 408761518 GGAOEYYBLHHELI-PDGQHHTCSA-N 479.319 5.961 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1C#N 408792253 AELBJFVZKJGRJQ-AWQFTUOYSA-N 492.362 6.307 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 408795426 LTILVQLDWUTCOV-NTUHNPAUSA-N 482.161 5.875 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 408796005 NZEDHBXMTROZBT-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OCc2ccc(Cl)cc2Cl)c1 408809147 KHJUOOKDKDFCOT-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Cl)cc1Cl 408809506 GYKISDACNHBOLA-FDVSRXAVSA-N 479.363 6.811 50 40 JKGB CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 408822920 MXBCULXDUJTIRL-HFVKVNHUSA-N 467.780 6.056 50 40 JKGB Cc1cc(/C=C(\C#N)c2cccc(Br)c2)cc(C)c1OCc1ccc(Cl)cc1 408856627 KXUZGNCXSPEABC-CIAFOILYSA-N 452.779 7.363 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1OCc1ccccc1Cl 408890300 RBPNSIQJNMTLSA-LDADJPATSA-N 453.325 6.127 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cccn2-c2ccc(Cl)cc2)cc1 408941742 KGLJCZLWYNFREE-GTWSWNCMSA-N 478.983 6.661 50 40 JKGB Cc1nnc(Sc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2[N+](=O)[O-])s1 408988696 FNGZDYWONBHJLO-CXUHLZMHSA-N 451.533 5.068 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)cc1Cl 408991379 ZZTKYJBGSHHCGL-MOSHPQCFSA-N 474.391 7.159 50 40 JKGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 409049823 XUQPSPHQQUEJMZ-KVSWJAHQSA-N 480.351 5.418 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409071461 ORPHOJNQZUUYHG-CPNJWEJPSA-N 496.972 5.279 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 409171898 DAPQAVHHSATJGZ-JVWAILMASA-N 483.484 5.341 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1OCC 409320911 DKBBTPNOBMLXNZ-YUMHPJSZSA-N 497.389 5.589 50 40 JKGB CN([C@H](c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@](=O)C(C)(C)C 1857795248 YCLRTNBFAFWZQH-ANHUGMMASA-N 485.633 5.928 50 40 JKGB CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(OC)c(O)c(SC#N)c2)C2=C1CC(C)(C)CC2=O 661350 XIYDSFRVRBOTAY-UHFFFAOYSA-N 480.630 5.679 50 40 JKGB COc1ccc(-c2csc(N(NC(=O)Nc3ccccc3)C(=O)Nc3ccc(C)cc3)n2)cc1 1415236 QMQLIAQLZOPUEQ-UHFFFAOYSA-N 473.558 5.902 50 40 JKGB N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 2401487 BPTPCFPVSLOOFK-FNBPXTNNSA-N 495.938 5.683 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 3102346 TUSXNEDOCSQXKD-RPPGKUMJSA-N 463.748 5.755 50 40 JKGB CC(C)CCOc1ccc(/C=N/NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)cc1 3303993 VZYAQDOLRPLKOF-STKMKYKTSA-N 492.619 7.121 50 40 JKGB Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N/NC(=O)c1cc2c(s1)CC[C@H](C)C2 3402075 YQDAYYPMBYIPQT-VBICMNQQSA-N 488.588 6.062 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)[C@H]1COc2cc3ccccc3cc2O1 4045391 RROIEFVRIYFULQ-DAVRIHBFSA-N 461.521 5.133 50 40 JKGB COc1cc(/C=C(\C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccccc1 4196439 GXAXNWAHEZDCKX-VXLYETTFSA-N 454.751 6.754 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccccc1Cl 5948622 RRIMYBLBKDKOOE-RDRPBHBLSA-N 473.960 5.872 50 40 JKGB O=C(COc1ccccc1-c1ccccc1)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1 8448771 GLZUEOSTWNWSCO-MBTHVWNTSA-N 465.336 6.450 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 8812725 OKHXPSKFZARNGZ-ZMOGYAJESA-N 481.375 5.136 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 9202188 WXHCPLRFPGAUOL-VULFUBBASA-N 467.909 5.298 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(C)o3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 9763074 VBGWDYCXXWFEHS-NTFVMDSBSA-N 487.629 5.684 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c(C)c1 12614396 XKGMULGJXTTXRV-ABRDEJFMSA-N 490.607 6.421 50 40 JKGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)c1 13523400 GLBYZIBRKMMAOM-RUMWWMSVSA-N 477.564 6.045 50 40 JKGB C=CCc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1O 13595739 VWQMDVDVKJBBJL-RWPZCVJISA-N 491.016 5.415 50 40 JKGB N#CC1=C(O)O[C@@](O)(c2ccccc2)[C@H]([n+]2cccc3ccccc32)[C@H]1c1ccc(Cl)c(Cl)c1 13764179 QAXHYFWAAMTCNE-WEWMWRJBSA-O 490.366 5.928 50 40 JKGB CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 28627984 ZAOUINRYPNNQIE-CJLVFECKSA-N 482.971 5.815 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(C(C)C)cc3)nc3ccccc3c2=O)cc1 32577058 RETWBPQWFYRTIT-NTFVMDSBSA-N 470.598 5.060 50 40 JKGB CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC 33493066 VTVJMMCXXQAXJG-LITAXMHPSA-N 461.927 5.413 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1 59536143 ZZPVMGLADUMUCS-LDADJPATSA-N 453.325 6.127 50 40 JKGB CCCCCCCCOc1ccc(/C=N/NC(=O)c2cc3cc(OC)c(OC)cc3[nH]2)cc1 101094079 WMMNNXZQQGBUTH-OVVQPSECSA-N 451.567 5.688 50 40 JKGB CCCCCCCCOc1ccc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1OC 105955968 KFRWOBHVCKZYCL-QRQIAZFYSA-N 450.501 6.217 50 40 JKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Br)cc1 137153972 NZHABXLXSLIGIU-XSFVSMFZSA-N 477.358 5.891 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)c1 208468022 GYGPNOYWPNAHCW-KGENOOAVSA-N 487.512 5.517 50 40 JKGB CCn1c(C)cc(/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)c1C 209532278 QEENIPQHQBYFQY-ZVBGSRNCSA-N 467.161 5.160 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OCC 408544733 XGQRPOUSAQSTRR-LICLKQGHSA-N 452.352 5.970 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)c(C#N)c1C 408546711 NMWRIIJFKHMVHL-YBFXNURJSA-N 472.522 5.286 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc(OCc2ccccc2)cc1 408548277 FQNWTDRGTUESKF-COEJQBHMSA-N 454.573 7.891 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)c1ccc(Cl)cc1Cl 408579222 DWMFKLWHLZPKTR-GZTJUZNOSA-N 459.170 7.399 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(F)cc1F 408603293 FMRSUXJYHYEZCN-GZTJUZNOSA-N 474.467 5.321 50 40 JKGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(CC)cccc2CC)ccc1OCc1ccc(F)cc1 408612168 UIXZKUNBGIADLN-OCSSWDANSA-N 491.563 5.017 50 40 JKGB Cc1ccc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)nn2-c2cccc(C)c2)cc1 408726636 SEHFNLOGTBVRIF-UXHLAJHPSA-N 460.537 5.779 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1C#N 408741453 MCCSFZBKAGCKAR-UVHMKAGCSA-N 454.313 5.217 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OCC 408752371 ICFSEJFRYNXRON-QPEQYQDCSA-N 484.177 6.099 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OCc1cccc(F)c1 408806640 APUBQDFOATZDGO-BKUYFWCQSA-N 460.480 5.827 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1cc(Cl)ccc1Cl 408882985 PTQVYEAJBZTCRJ-YSURURNPSA-N 465.724 5.726 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OCc1cccc2ccccc12 408884058 SOGLVCAZBUAPOX-HZHRSRAPSA-N 478.504 5.671 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3cccc4ccccc34)c2)c([N+](=O)[O-])c1 408892893 DMNGVZAHSKXZNO-HZHRSRAPSA-N 463.493 6.181 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cc(Cl)ccc1Cl 408896180 PXIMDWRVUXKEKI-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409052041 PQCHZDHWEJOLJW-RPPGKUMJSA-N 488.327 5.562 50 40 JKGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 409134176 NAUXUWBSYSMGRU-FLOSOGMCSA-N 482.005 5.297 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1 409196239 XWGBVMKBFXUSQE-UVHMKAGCSA-N 461.320 5.874 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409225117 PARVCFIASDTSTO-GZTJUZNOSA-N 496.350 5.565 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2)cc1OCC 409310140 QXNMDEOWEDAXBW-QRQIAZFYSA-N 466.965 5.870 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(F)c2)cc1OCC 409320838 CZSZOGUIMHWWJR-MBTHVWNTSA-N 470.928 5.619 50 40 JKGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC 409336716 PQKULDBLIHBBTO-SXGWCWSVSA-N 473.754 5.367 50 40 JKGB Cc1ccc(C(O)(C(=O)NN(C(=O)c2ccccc2)C2CCCCC2)c2ccc(C)cc2)cc1 2309199 XNJIETOAHGOGKQ-UHFFFAOYSA-N 456.586 5.046 50 40 JKGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2754941 IJYRWKQLHPBDIL-QGOAFFKASA-N 492.888 6.757 50 40 JKGB CCn1c(C)nc2cc(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)ccc21 3183607 XDPDDKODZVUSGM-MUFRIFMGSA-N 482.975 5.635 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)N2CCc3ccccc3C2)c(C)n1-c1ccc(Br)cc1 4086997 YYYRQAXVMRGQMT-HYARGMPZSA-N 460.375 5.349 50 40 JKGB Cc1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 9056407 HMFCOZBAKLSDTH-FDAWAROLSA-N 484.983 6.570 50 40 JKGB N#CC(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)/C(O)=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F 9057494 HPBUCJMADJPZCY-KPKJPENVSA-N 496.228 7.376 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3C(=O)O)cc2Cl)c1 9763640 QAOGNJNCYJTHFW-VCHYOVAHSA-N 481.335 6.125 50 40 JKGB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)[C@@H](Br)Cc1ccccc1Cl 11692820 BGBFJCYYWUJWKR-INIZCTEOSA-N 470.219 5.985 50 40 JKGB Cc1cccc(N2CSC3=C(C#N)[C@@H](c4cccc(OCc5ccccc5)c4)CC(=O)N3C2)c1 12251018 RFWHFHLWSJKQFP-RUZDIDTESA-N 467.594 5.794 50 40 JKGB N#C/C(=C\c1cc2ccccc2nc1Cl)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 13814710 BHNKWYLXAUCLGD-LZYBPNLTSA-N 476.344 6.836 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCc1cccc2ccccc12 15223705 VKDWVBCDTZIUNC-HZHRSRAPSA-N 452.510 5.634 50 40 JKGB CCOc1cc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc(OCC)c1OCC 20175646 NIZMWWURCNNEEJ-MTDXEUNCSA-N 462.546 5.226 50 40 JKGB O=C(NN=C1CCC(c2ccccc2)CC1)c1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 22755911 RSSJNIZDGZRMQV-UHFFFAOYSA-N 496.365 5.046 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c(C)n1-c1ccc(Br)cc1 28216764 QQKLGPQGPAJCDW-MJDKSPQASA-N 470.436 5.629 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3Cl)o2)sc2c1CCCC2 33935653 ZPEVUOSOBLSEDV-SQFISAMPSA-N 480.973 6.263 50 40 JKGB O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccccn1 59427683 UPXDYLVGSBKQGB-AJBULDERSA-N 487.519 5.878 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)C3=C(O)CCCC3=N2)cc1Cl 104080432 SGRJVIWFGQTYQL-QHCPKHFHSA-N 481.980 6.429 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccccc1Br 408534756 WSWSZHNSPVDXJO-PDGQHHTCSA-N 456.181 6.683 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1ccc(Br)cc1 408580290 NXXQUKOAUNIUQT-RQZCQDPDSA-N 493.615 8.052 50 40 JKGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)c1 408608732 IKSBEVMBEBTGBI-KKMKTNMSSA-N 490.774 5.623 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1 408676111 FKQHZYUASXNTTQ-OGLMXYFKSA-N 492.417 5.701 50 40 JKGB C/C(=N\NC(=O)CSCc1cccc(Br)c1)c1cccc(NC(=O)c2ccccc2)c1 408720304 YBSAKAYGZJMZSY-WPWMEQJKSA-N 496.430 5.475 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408726388 SLGBSHPGIITXRF-ZHZULCJRSA-N 473.485 5.127 50 40 JKGB CCOc1cc(OCC)c(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Br 408765510 YCHGKZHOINLTAC-ZSOIEALJSA-N 494.183 5.555 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)NC2CCCCC2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 408791990 GHNMRECGCLLMAM-QGOAFFKASA-N 471.479 5.079 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2cccc(F)c2)c2ccccc12 408806257 BJNJQIOUQVIVSX-DEDYPNTBSA-N 457.936 6.645 50 40 JKGB COc1ccc2ccc(OC)c(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2c1 408847862 WHVUDYABNLIYEM-MSXFZWOLSA-N 453.292 5.130 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1Cc1cc(C)cc(C)c1 408870747 WRHBBXUYIOBTIP-CIAFOILYSA-N 479.407 7.145 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Br)c1 408879002 DRDZFPZHUSWGCR-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1OCc1ccccc1C 408924615 NGEMLJKTHGYXDI-BUVRLJJBSA-N 496.994 7.325 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408966989 OPYUPOFBBLMNPR-CVKSISIWSA-N 452.396 5.918 50 40 JKGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)c2C)cc1 408978249 HICRNTASZYDDMO-QVKATGLSSA-N 494.595 5.114 50 40 JKGB Cc1c(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2n1C 409018521 VDHJKNPHMOFIFR-HFLRGAGPSA-N 473.404 5.088 50 40 JKGB Cc1ccccc1-n1c(C)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1C 409045454 PPGKOICTMPYKDK-DXJNIWACSA-N 458.565 6.382 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccccc1 409048097 RHSYAWWYDXWYEX-UDWIEESQSA-N 489.959 5.529 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1 409252371 DJXVUDPIWOVRKX-XKZIYDEJSA-N 487.987 6.137 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1OCC 409323347 NQMQLKQMDGXVJW-RHANQZHGSA-N 478.976 5.955 50 40 JKGB COc1cc(/C=N/NC(=O)CC2(C)SCCS2)ccc1OCc1ccc(Cl)cc1Cl 409361002 GHWGGRRQOSKSCA-WYMPLXKRSA-N 485.458 5.617 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 409363808 NUXIRNOOYVHQGD-MWLSYYOVSA-N 485.411 6.226 50 40 JKGB N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 2401550 GKWQMWSGDGNGHH-FNBPXTNNSA-N 479.483 5.169 50 40 JKGB N#C/C(=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1cc(Cl)ccc1Cl 2779833 PKGXGSMMALDNKW-LICLKQGHSA-N 462.336 6.599 50 40 JKGB O=C(O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1ccccc1)N2 6473963 GEQGUCRYYIPLPX-KAVIJBJXSA-N 480.973 6.332 50 40 JKGB Cc1ccc(N/C(SCC(=O)Nc2ccc3ccccc3c2)=C(/C#N)C(=O)N2CCCC2)cc1C 9717032 YXPYKQHQCGFLSH-IMVLJIQESA-N 484.625 5.598 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3ccc4ccccc4c3O)c3ccccc32)c1 13322104 JRYHPCMGDBQWHE-OKCVXOCRSA-N 477.520 5.099 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1 16157371 XRDCZEZABOPWFL-ZHZULCJRSA-N 470.598 5.851 50 40 JKGB C/C(=N\NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(Br)s1 20368476 RJWXDKZQDXEABE-CVKSISIWSA-N 464.388 6.188 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1 32519933 TZZZPUGXTZSJGK-MZJWZYIUSA-N 495.004 5.436 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC 59291886 ZKLGRMWOSCDVOZ-OQLLNIDSSA-N 463.759 5.754 50 40 JKGB CCCCOc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 59473177 HJQSOLGXYPCDOT-WPWMEQJKSA-N 453.007 6.575 50 40 JKGB O=C1c2ccccc2O[C@@H](c2ccccc2)[C@@]1(Br)[C@@H](Br)c1ccccc1 169797311 ONSKQBKXYIPURM-ILWGZMRPSA-N 472.176 6.273 50 40 JKGB Cc1nc([C@H](O)[C@H]2CCCCN2C(=O)OC(C)(C)C)sc1CO[Si](C)(C)C(C)(C)C 217390439 IKLGLYASSRKEHR-SJLPKXTDSA-N 456.725 5.796 50 40 JKGB CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(C)cc2)cc1OC 408540982 WYUMMALWFQYHJX-ONUIUJJFSA-N 475.427 6.269 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 408570664 XMRNPAJLGSVVBT-BKUYFWCQSA-N 498.514 6.381 50 40 JKGB O=C(N/N=C\c1ccccc1Cl)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2 408734227 IVYQDMCPFKZSJE-ROTLSHHCSA-N 454.755 5.387 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 408754382 KCNKLRGMVNWAIM-ATVHPVEESA-N 487.364 5.615 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1ccc(Cl)cc1 408802521 YLNJGURSEYZBDN-UBTJMGRZSA-N 452.982 5.920 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1c(C)ccc2ccccc12 408810818 UWSCMFDXFFTPBI-LFVJCYFKSA-N 462.549 6.590 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(OCc2ccc(C)c(C)c2)c1 408819259 YVMOTHSUDIRGMW-WSDLNYQXSA-N 460.961 6.399 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1ccc(Cl)cc1 408819580 ZKXBZMITJAMLGD-DEDYPNTBSA-N 481.379 6.825 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1 408847437 MQPZKTUILGEKTK-XDHOZWIPSA-N 450.897 6.002 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)c1ccc2ccccc2c1 408891647 UHDVHMZFWAXGNH-JVWAILMASA-N 473.326 5.585 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccccc1F 408896025 MNIAATRRGCLLGC-WOJGMQOQSA-N 455.316 6.566 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 408896608 OSCVBQUJCUJGIB-RQZCQDPDSA-N 498.322 6.035 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1cccc(Cl)c1 408900908 YZHNLXJFMDCEHJ-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408913094 PKWBNADLPHTPEW-UVHMKAGCSA-N 485.353 5.313 50 40 JKGB N#C/C(=C/c1cc(Br)c(I)o1)c1cccc(C(F)(F)F)c1 408950025 DDKZEARGIOPVSJ-UITAMQMPSA-N 468.010 5.730 50 40 JKGB O=C(N/N=C\c1cc(Cl)c(O)c(Br)c1)c1cc(-c2ccccc2)nc2ccccc12 409033889 FZWHBHPTIZCXQL-ZMFRSBBQSA-N 480.749 5.787 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409042471 NBQFUBXFJMJSNO-LDADJPATSA-N 493.922 5.441 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(O)cc1 409048765 TZGSAJUVAAAWHB-CXUHLZMHSA-N 473.743 6.477 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2C)c1 409067798 ZPDVBVWMBMZLHQ-OCSSWDANSA-N 462.553 5.021 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2)c(Br)c1)c1ccccc1 409242943 WWAZNYNKDNGXKF-WCEBZYJUSA-N 495.804 6.466 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2F)cc1OC 409310928 DFAUXMHUWAYJNZ-MBTHVWNTSA-N 470.928 5.619 50 40 JKGB O=C(N/N=C(\C=C\c1ccccc1[N+](=O)[O-])c1ccccc1)c1ccccc1I 2132859 OXDZREZUYTXJRX-HPSOTFSKSA-N 497.292 5.047 50 40 JKGB N#C/C(=C\Nc1cccc(Br)c1)c1nc(-c2cccc(Br)c2)cs1 2288472 BMLVUWRECJFTQY-JLHYYAGUSA-N 461.182 6.312 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(F)cc3)N(c3ccccc3)C2=O)cc1Cl 2308199 ASJRBZPJEQIGSK-HVBJHMBASA-N 491.975 5.853 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OCc1cccc2ccccc12 9202195 RQPDWKYWMLPKGL-OCSSWDANSA-N 472.972 6.543 50 40 JKGB C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 10040904 KLBOLEWBSWSRHI-MUFRIFMGSA-N 457.917 5.605 50 40 JKGB CCOc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(OC)c3)n2)cc1 12140023 OOBZEAZSFXARLO-OVCLIPMQSA-N 457.349 5.750 50 40 JKGB Cc1ccc(N2CSC3=C(C#N)C4(CCC(C(C)(C)C)CC4)N(c4ccc(C)cc4)CN3C2)cc1 12250945 IRYOXKNEUDDGJY-UHFFFAOYSA-N 486.729 7.262 50 40 JKGB CCCCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2C)=C(C)N1 19946604 HAXQCFKDNHICRZ-VWLOTQADSA-N 475.614 5.406 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c(C)c1 20194619 BAXADGIDSSVZPB-OCSSWDANSA-N 456.973 6.382 50 40 JKGB COc1cc(/C=N\NC(=O)CNc2c(C)cccc2C)ccc1OC(=O)c1cccc2ccccc12 30738357 OGSKXHGPRHVYMO-LJUMEUDFSA-N 481.552 5.247 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccc(Cl)cc1 32519953 LLJVQKNOZOBASE-LGJNPRDNSA-N 481.961 5.311 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(OCC)c1OCc1cccc2ccccc12 33782995 CYCPMNHGALRRFI-IMRQLAEWSA-N 499.614 7.795 50 40 JKGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 35085001 XFMXTAHCVIMOFB-XODNFHPESA-N 479.367 5.719 50 40 JKGB Cc1cccc(OCCCn2cc(/C=C(C#N)/C(O)=N/c3nc4ccccc4s3)c3ccccc32)c1 41120727 BJYSBCGEIKRLHS-HEHNFIMWSA-N 492.604 7.224 50 40 JKGB O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1)c1ccccc1Br 59101517 IRXYGKGCJJZCTB-WPWMEQJKSA-N 488.341 5.223 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Cl 59921358 PCRZMAMUZMAOJW-UVHMKAGCSA-N 477.775 6.388 50 40 JKGB CCCCCCCCCCCCCCCC(=O)NNC(=O)c1c(O)[nH]c2ccccc2c1=O 97949418 VRSQMLVYJWUZEX-UHFFFAOYSA-N 457.615 5.476 50 40 JKGB Cc1cc2c(cc1/C=N\NC(=O)Cc1cccc(C(F)(F)F)c1)[C@H](C)CC(C)(C)N2C(C)C 223596534 VWUFGFNFVIJGDI-WCHZNGNQSA-N 459.556 6.207 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)NNc3ccccc3OCc3ccc(Cl)cc3Cl)CC2=O)cc1C 408602356 DDPXBLNDHOXABV-IBGZPJMESA-N 498.410 5.685 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)c(Cl)c3)o2)c1 408743552 BBEOEXLWUZHOKM-GDNBJRDFSA-N 471.738 6.307 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1 408787128 RWCPKAGUNZJYBT-RHANQZHGSA-N 457.961 5.944 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408795093 KYIUSNBKSKBSNO-LICLKQGHSA-N 469.324 5.832 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1ccccc1 408812015 MLWAKJAZKAOBJU-ONUIUJJFSA-N 482.580 5.625 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccccc1Cl 408858947 UMRJYNJDEQUFOE-WKIKZPBSSA-N 469.324 6.091 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)c(OC)c1 408864947 AFGFLECKMQUPNE-WPWMEQJKSA-N 491.591 6.002 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(OC)c2)cc1 408868352 OBNFVRMUILTRSZ-DEDYPNTBSA-N 477.358 5.603 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 408885738 FUMXIIYOHKTAEI-CJLVFECKSA-N 452.941 6.926 50 40 JKGB N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2)c1)C(=O)Nc1cc(Cl)ccc1Cl 408889137 AEUYTDYQOXLFPI-LFIBNONCSA-N 473.337 5.307 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1 408899876 RIINSRQBQBXYOV-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(I)cc2)o1 408983236 GMQPTYVFHBLWTJ-PTNGSMBKSA-N 488.712 6.059 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCC(=O)Nc1ccc(C)cc1 409011321 HCQCWADDYHFWBU-ZCTHSVRISA-N 495.579 5.257 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 409017264 YDXHNLSNSFBKHS-NUJZUDFISA-N 480.351 5.650 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)ccc1OC 409043228 YJXHQLSDPIWTHI-JVWAILMASA-N 472.570 5.725 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Cl)c1OCc1ccccc1C#N 409131695 JOZYAKATNAVOPX-DEOSSOPVSA-N 473.916 5.113 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)NCCCc1ccccc1 409226924 NXVRWMWAHQLVNW-QJOMJCCJSA-N 475.386 5.684 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)n1 409231074 BEOVLWQHLALAGL-MUFRIFMGSA-N 499.640 5.322 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1ccccc1 409244410 CGRMVJCRPMDWBU-HSGPEQJXSA-N 469.343 6.496 50 40 JKGB Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 409254002 CTGBZCRILNNIFQ-DEDYPNTBSA-N 493.485 5.885 50 40 JKGB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)c(C)c1 409267879 PMKAHRSKKYHKAS-YBFXNURJSA-N 494.378 6.173 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(I)c1OCc1ccc(C)cc1 409394373 ZNOJZSWMAJFVCW-JMIUGGIZSA-N 499.323 6.391 50 40 JKGB Cc1ccc(/C=N/NC(=O)CSc2nnc(CNc3cccc4ccccc34)n2-c2ccccc2)o1 2741591 JIGZYXQDFNGCSX-MUFRIFMGSA-N 496.596 5.176 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)OC)ccc1OCc1ccccc1Cl 3232203 PSIHFUMLLWXROT-XSFVSMFZSA-N 490.943 5.650 50 40 JKGB Cc1cc(C)c(C#N)c(SCC2=C(C(=O)OC(C)C)[C@@H](c3ccccc3Cl)C(C#N)=C(N)O2)n1 8934386 CTVMNTFXLZKAPZ-NRFANRHFSA-N 495.004 5.029 50 40 JKGB O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1cccc(Br)c1 9190148 BJJBQAQLHMUISW-ZMOGYAJESA-N 457.711 5.086 50 40 JKGB CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccccc1Cl)=C(C#N)[C@H]2c1ccco1 12250009 KZPBTDDRGKYJOZ-NRFANRHFSA-N 467.978 5.370 50 40 JKGB CCCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(Cl)cc2)cc1OCC 12276013 GCDFMQNZLIBDGQ-CLOONOSVSA-N 485.005 5.171 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)c1C 13943969 LCCRBAFLZQWKLA-CIAFOILYSA-N 460.917 5.780 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 14134918 WQRGBJBLEVUAGA-VULFUBBASA-N 487.781 5.383 50 40 JKGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\c2ccc(-c3cccc(Br)c3)o2)cc1 15938533 YXCXWNFOMCGJQR-JBMGJACISA-N 465.391 6.260 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 28216520 DRLWFNOFXODJAO-ZXGJNYTGSA-N 480.848 6.685 50 40 JKGB O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1ccccc1F 28350481 QAVITPIEJQZXMI-ZMFRSBBQSA-N 452.942 5.120 50 40 JKGB COc1cccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)c1 35189651 BECAJIJHNYPDPJ-NTFVMDSBSA-N 489.369 5.954 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(C)c1 59117489 HCQGLQFQAOFVDL-UDWIEESQSA-N 481.379 6.825 50 40 JKGB O=C(CN1CCOCC1)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 59246407 NZNHVDKWLIUQPW-AJBULDERSA-N 499.014 5.247 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cccc2ccccc12 59676799 BZASYCMYYKTYGC-QOMWVZHYSA-N 460.581 5.503 50 40 JKGB CCCCCCCOc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 103016821 URQZGUJMYMFHFH-TWKHWXDSSA-N 479.020 7.032 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccccc1Br 408676083 FAFSPBNDLASLEK-WGOQTCKBSA-N 465.395 5.221 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccccc1Cl 408726534 SNBWSIZNZQXBNS-HMAPJEAMSA-N 460.961 6.480 50 40 JKGB Cc1cccc(Cn2cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c3ccccc32)c1 408747343 MOPITQSTWMFFBS-UZWMFBFFSA-N 473.576 5.384 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OC 408753151 IEBKFJODCKBANP-ZSOIEALJSA-N 492.167 5.331 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 408789066 NVZFOAYNHABMBZ-HYARGMPZSA-N 496.397 7.695 50 40 JKGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1Br 408802414 DVZGNUNFVFPEGH-WUXMJOGZSA-N 484.575 5.728 50 40 JKGB O=C(N/N=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1cc2ccccc2o1 408847689 NZWZKVVCGCQFFQ-PPDIBHTLSA-N 457.288 6.222 50 40 JKGB O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)c1ccccc1 408888327 ZEGYXTMEGRRBLI-JVWAILMASA-N 473.326 5.585 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)cc1 408948790 GVJPPKCOCIYHKC-HAHDFKILSA-N 499.998 6.065 50 40 JKGB COc1cccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c1OCc1cccc(C(=O)O)c1 409018493 MIHNAQPSFGEVQP-WKIKZPBSSA-N 478.888 5.136 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1 409077150 DHUBQLBSHJZWIF-ATVHPVEESA-N 497.429 6.350 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OC(C)C)c(OCC)c3)cc2c1 409186908 JJBPZQZLFWJKGK-MXAYSNPKSA-N 489.366 5.544 50 40 JKGB N#C/C(=C\c1cn(CCCOc2ccccc2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 409193584 HFWSQMPQGUPELN-CJLVFECKSA-N 479.536 5.062 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1cccc(F)c1 409194146 NJQKUMSSEILHJG-RPPGKUMJSA-N 491.744 5.593 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 409222258 BIOFLOYJIQZCPX-LFIBNONCSA-N 484.314 5.696 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccc(C)cc1 409232727 BRPAFUACMRPOIK-ITYLOYPMSA-N 454.570 5.629 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1 409239546 HGGLSXAMPYGACB-OJSPLJLUSA-N 495.804 6.466 50 40 JKGB C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C(/C)c1ccc2ccccc2c1 8397331 WQXCHYIRRZTZET-NNXLNWLCSA-N 485.613 5.217 50 40 JKGB CCn1c(SCC(=O)N/N=C(\C)c2cccc3ccccc23)nnc1-c1ccc(Cl)cc1 9763069 XRABVNNRLZRFCR-WGOQTCKBSA-N 463.994 5.404 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)c1ccccc1Cl 9934818 XVPIOTPPTNCMHO-MUFRIFMGSA-N 488.927 5.581 50 40 JKGB CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 12578495 PVNRPLHBBSJLQP-XSFVSMFZSA-N 483.921 6.931 50 40 JKGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 13297951 LSAJBPGSDVDBJG-XMMPIXPASA-N 492.044 6.086 50 40 JKGB C/C(CC(=O)Nc1ccc2ccccc2c1)=N\NC(=O)COc1ccc(Cl)cc1Br 16136914 HJEPIFGRQCKLSA-VULFUBBASA-N 488.769 5.155 50 40 JKGB N#CC1=C(N)O[C@@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@H]1c1cc(Cl)ccc1Cl 16488826 GRJUKLJTUXBPKT-TXPKVOOTSA-N 453.251 5.182 50 40 JKGB COc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(C(C)(C)CC(C)(C)C)cc3)o2)cc1Cl 44950405 IQBPWNSGTPOLIC-OKCVXOCRSA-N 497.035 6.852 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 58927923 UDNJVPANHYLLFO-RPPGKUMJSA-N 463.748 5.755 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cc2cc(Br)ccc2o1 59304823 NGMKRDRETSMZHM-YSURURNPSA-N 478.129 6.526 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl 59336136 UFNASDLXALLKAZ-ATVHPVEESA-N 457.744 6.771 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc(OC)c1OC 59473260 GEWVJFCUSMTHAS-VULFUBBASA-N 470.978 5.422 50 40 JKGB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](Br)CBr 103527392 HWMKCLWXODMZFK-UWTATZPHSA-N 455.887 5.248 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCC(=O)Nc1cccc(C)c1 408579384 GPVOXHYFMACBTG-KGENOOAVSA-N 491.385 6.238 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)Sc1nc2ccccc2[nH]1 408599006 NMZLIAYYCNOUCL-WOJGMQOQSA-N 496.817 7.215 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1ccccc1 408744272 XPCKGMWYXDOISE-BKUYFWCQSA-N 473.359 7.271 50 40 JKGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1Br 408744382 FFLWYEKHFCUIEN-DHDCSXOGSA-N 459.727 5.059 50 40 JKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)c1 408796445 OGBDEUAFXOBYHZ-YBFXNURJSA-N 492.329 5.790 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Br)c2)c1 408799461 ZJCMCKJVLSJOIC-UDWIEESQSA-N 479.349 6.330 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc([N+](=O)[O-])c2)cc1 408810979 NEMOQGXMXWIATN-DEDYPNTBSA-N 461.905 5.935 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)c(C)c1 408817079 SVLIXUGTJSOVDA-BUVRLJJBSA-N 466.968 7.235 50 40 JKGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 408827022 FADPXXVYROIDCC-GHSKZQDZSA-N 483.515 5.244 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 408830072 RCCHSVAWTWXWIP-MZJWZYIUSA-N 473.356 5.500 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 408848905 XAPHYTAKKJTSHW-LGJNPRDNSA-N 468.365 6.224 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(F)cc1 408936135 GRBCJVZFZORAJU-STBIYBPSSA-N 470.504 5.114 50 40 JKGB Cc1ccc(CN(c2ccc(C(=O)NN=C3CCCCCCCCCCC3)cc2)S(C)(=O)=O)cc1 409028226 JORIZOWXZQCXTF-UHFFFAOYSA-N 497.705 6.352 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Cl)c1OCc1ccccc1Cl 409123032 DISZHCBDUJOCQB-JOCHJYFZSA-N 469.324 5.505 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 409228775 DYVUIZMOHXJUGA-MUXKCCDJSA-N 475.347 5.803 50 40 JKGB Cc1ccc(Sc2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2)cc1 409240222 FXMMPFCLEHSZOC-ZTKZIYFRSA-N 452.579 5.532 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12 409322854 LTTAHNAKBIQYQX-KGENOOAVSA-N 485.337 7.154 50 40 JKGB CC1(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)SCCS1 409366119 SQZGWYUSVZXMOB-FSJBWODESA-N 499.883 5.718 50 40 JKGB COc1cc([C@@H]2CC(=O)NC(SCc3cccc4ccccc34)=C2C#N)cc(Br)c1O 1302396 XQGXGIYPCOZGDC-SFHVURJKSA-N 495.398 5.589 50 40 JKGB N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 1888768 YTLAZWZDDLPCTO-HVBJHMBASA-N 491.975 5.222 50 40 JKGB CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(CCCC3=O)N2)cc1 4695920 YIFWQHGMEMTZBQ-DEOSSOPVSA-N 461.587 5.423 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 6407980 STLQGTGUJDEHMZ-VCHYOVAHSA-N 464.352 6.830 50 40 JKGB CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCN(C)CC2)cc1 12621452 RDWWANVAOGPWKO-NJNXFGOHSA-N 497.643 5.179 50 40 JKGB COc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3C)C2=O)c1 13513525 GGBHRDMAZDDSCR-IDJUBOEBSA-N 483.593 5.377 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1cccc(Cl)c1 19879726 KMUQLXXKPREVSE-KCSSXMTESA-N 497.042 6.070 50 40 JKGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 20059619 HSNHSUMAXNGERX-YZSQISJMSA-N 490.412 5.038 50 40 JKGB C/C(=N\NC(=O)c1ccoc1C)c1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2Cl)c1 20357139 DULFPJZDMCTTQX-JEWIKEISSA-N 453.926 5.110 50 40 JKGB CC(C)(C)C1CCC(=NNC(=O)c2ccc(C(=O)NN=C3CCC(C(C)(C)C)CC3)cc2)CC1 20467856 BXECYJKTFYCDKM-UHFFFAOYSA-N 466.670 6.331 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)c(C)c2)cc1 26687626 ZWIRCHUALOMNGA-ULJHMMPZSA-N 476.580 6.489 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 33660396 VVBNGFBHAKMQAD-XKZIYDEJSA-N 471.469 5.883 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)c1 33706608 GDALCEOVFACXOZ-VULFUBBASA-N 490.541 5.158 50 40 JKGB O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1ccc(Cl)cc1Cl 59459319 CRPDQKAIAIRHAD-AUEPDCJTSA-N 456.167 5.164 50 40 JKGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OCC 59473225 ICMJNDXGJFOOHB-OGLMXYFKSA-N 481.017 6.360 50 40 JKGB C[C@H](CN(CCCl)CCCl)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118931088 DHZBGBCMBFYMHO-BAVBHULHSA-N 456.542 6.342 50 40 JKGB Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1C)[C@@H](C)CC(C)(C)N2C(C)C 223606637 IZZSHQHFZAUUFJ-POJBONIESA-N 450.026 7.003 50 40 JKGB CCCCC/C=C\C[C@H](Cl)[C@H](Cl)CCCCCCCC(=O)[C@@H](C(=O)O)[C@@H](O)C[N+](C)(C)C 263583736 WZOYZEOQYHNNJM-BTBVTBIQSA-O 495.552 5.796 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2cc1C 408543807 QXXZJPCXTKBGIB-GZTJUZNOSA-N 455.430 5.853 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)ccc1OCc1cccc2ccccc12 408585660 GWEIEILLGRIMKL-XKZIYDEJSA-N 460.360 7.798 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1 408725943 NHLBWWQWZQISKG-HMAPJEAMSA-N 460.961 6.480 50 40 JKGB O=C(N/N=C/c1cccc2ccccc12)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 408727440 WYMCOPCYETXAFK-RUMWWMSVSA-N 466.544 6.610 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc3c(c2)OCO3)cc1)C(=O)Nc1ccc(Br)cc1 408743536 GMHKSEWLAVRLKY-WQRHYEAKSA-N 477.314 5.302 50 40 JKGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc(C(C)(C)C)c1O 408760761 FOQRDHHKAXHIPK-OCSSWDANSA-N 481.036 6.984 50 40 JKGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1 408781909 CXSQZFGQMGRBSH-QOMWVZHYSA-N 489.619 7.119 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(I)cc3)c2C)c1C 408781994 UYRZCGXDNZERBA-MOSHPQCFSA-N 495.364 5.861 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408792051 HCMXYDYFNQDGDE-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(C)cc1 408794977 KUVBUMSPNIIZIS-WSDLNYQXSA-N 460.961 6.399 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OCc2cccc([N+](=O)[O-])c2)c1 408795516 CHLIBFWXDYTLQY-FYJGNVAPSA-N 457.486 5.345 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OCc2ccc([N+](=O)[O-])cc2)c1 408801907 WSMKPQIYJUVDRS-LDADJPATSA-N 463.877 5.381 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2 408806101 AGCNKKAORFDQLI-SDLXJUDFSA-N 454.599 5.691 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1C 408809521 HJGGUUMKVCFNNE-XQNSMLJCSA-N 450.513 6.720 50 40 JKGB Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1 408870560 GHOZWHMEQMWCEA-WSDLNYQXSA-N 493.832 7.164 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OC(=O)c1ccc(C)cc1 408881535 NVIMBCJRWDPRMJ-XQNSMLJCSA-N 462.505 5.922 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2OC)cc1 408892478 ZULVMWJANBFMIC-GZTJUZNOSA-N 497.334 5.775 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 408893364 FHERCKNNDHSXQY-XDHOZWIPSA-N 461.449 5.176 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1ccccc1F 409194023 MLRVWVSGYGPDDJ-WQRHYEAKSA-N 487.369 5.532 50 40 JKGB N#C/C(=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1)C(=O)Nc1ccccc1Cl 409220098 YDUHYKSCHCQTBF-ATVHPVEESA-N 466.324 5.557 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(Br)c(Cl)c1 409229315 NBDQPGLDTOITSI-DEFALTHMSA-N 482.809 6.294 50 40 JKGB N#C/C(=C/c1ccccc1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1 409253818 CAQXSJXWLSGNOR-LGMDPLHJSA-N 466.324 5.557 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2)c(C)c1 409255631 MLSFPXBASJYASA-HZHRSRAPSA-N 453.542 5.483 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2)cc1OC 409323241 ZWTPZYOWVMCKJE-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3cccc4ccccc34)c2C)cc1Br 409392550 QLYBJYIMGGGGJH-WKULSOCRSA-N 489.417 5.880 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OCC)c1OCc1cccc2ccccc12 409393873 STZOWRBWYDOBOU-PKAZHMFMSA-N 463.552 7.749 50 40 JKGB COc1ccc(-c2csc(N(NC(=O)Nc3ccc(Cl)cc3)C(=O)Nc3ccccc3)n2)cc1 1415262 GRQWJYIEIYBSEG-UHFFFAOYSA-N 493.976 6.247 50 40 JKGB CCOc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c2ccccc12 2156581 VRPNZYLUWYBKFP-RUMWWMSVSA-N 473.576 6.769 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)c3c[nH]c4ccccc34)N(c3ccccc3)C2=O)cc1 11851791 NBUYLIWBAPSQTH-RMNOPMHCSA-N 463.562 5.786 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccccc1C 12363477 UOILOOLLLKJFIK-BKUYFWCQSA-N 466.541 5.578 50 40 JKGB N#CC1=C2C=CC=CN2[C@](c2ccccc2)(C(F)(F)F)N=C1SCc1ccc(Cl)cc1Cl 14181615 ZMXLPKZTEQDFQH-JOCHJYFZSA-N 492.353 7.217 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1 20764806 ZJFBCGHFQBENJU-JVWAILMASA-N 452.938 5.480 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2cccnc2)cc1C 27018963 RETAXJPLYVOCRK-JLPGSUDCSA-N 475.552 5.031 50 40 JKGB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3C[C@H](Br)C(=O)[C@@](C)(CCC(=O)O)[C@@H]3CC[C@@]21C 34909198 KPIZABGNNPKJMS-YAGXACQDSA-N 483.531 7.115 50 40 JKGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 83299677 IUDJXOYGQQBIMN-XZZBMYDMSA-N 488.415 5.764 50 40 JKGB O=C(CC(=O)Nc1ccccc1)N/N=C\c1cc(/N=N/c2ccc(Br)cc2)ccc1O 104303877 HTRFOVNXRDBPGG-KFXLMUERSA-N 480.322 5.049 50 40 JKGB Cc1cc2c(cc1/C=N/NC(=O)c1cccc(I)c1)[C@H](C)CC(C)(C)N2C 208215372 UXIQEUYVMLDLOF-GMJSKMFWSA-N 475.374 5.086 50 40 JKGB CCN1c2cc(C)c(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2[C@@H](C)CC1(C)C 223574272 HLZSCALLYQEVDJ-YSGZUTGPSA-N 454.596 5.258 50 40 JKGB O=C(Cl)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 226334093 OJOWAXFKWLLAAM-ZZXKWVIFSA-N 467.517 5.956 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408734128 DHTLGXQMKJNONC-WOJGMQOQSA-N 499.767 6.675 50 40 JKGB O=C(Cc1ccccc1)N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 408740010 HOIIYJISXRKFRI-AWSUPERCSA-N 455.561 6.504 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)cc1 408744538 LXWLMUYTUZRUBY-LGUFXXKBSA-N 461.565 6.706 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1cccc(Br)c1 408764083 IIJRDHHGFDVNCF-YVLHZVERSA-N 499.206 6.165 50 40 JKGB CCc1ccccc1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1 408779121 RONSUQGJYROBMQ-MTDXEUNCSA-N 477.630 5.026 50 40 JKGB COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Cl 408793872 GJRQPORLRRXARK-WLRTZDKTSA-N 453.709 5.053 50 40 JKGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 408794870 TYBSJSRICJSUKL-NTUHNPAUSA-N 480.145 5.322 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc3ccccc3c2)c1C 408800995 QXWORNAKCOWSFJ-LPYMAVHISA-N 455.945 6.455 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)c(Cl)c3)c(C)c2)c1 408843374 FCQDGAVBVALJID-CIAFOILYSA-N 465.380 7.043 50 40 JKGB C=CCc1cc(C=NNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)cc(OCC)c1O 408854981 LMEDZAFUGCAUMK-UHFFFAOYSA-N 451.954 5.344 50 40 JKGB CCOc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Cl 408883919 XEKKNUIRNLRJFL-KBKYJPHKSA-N 482.915 5.650 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408885543 BRDKQLDLCOXZJZ-MHWRWJLKSA-N 489.400 5.058 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)cc2Cl)cc1 409021788 YHSDXENWKMUXCE-QDTIIGTASA-N 496.350 5.829 50 40 JKGB CC(C)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N/N=C/c1cn(C(C)C)c2ccccc12 409158499 XNMMHYUPRFPLIJ-QESWDSMOSA-N 452.986 5.170 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)o2)c(Br)c1 409231010 ATFUMWQTLXDSES-SSDVNMTOSA-N 474.336 5.168 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1 409263498 LIZFXUXYPHVGKB-PXLXIMEGSA-N 499.567 5.274 50 40 JKGB COc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(O)c1 409391641 KJMNIVJSSXYVLP-XODNFHPESA-N 482.367 5.783 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409393060 OUECCRCEVKXUFI-NVMNQCDNSA-N 483.293 6.148 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Cl)c1OCc1ccc(C)cc1 2077354 YNYNLJYMBVBICX-UVHMKAGCSA-N 495.988 5.620 50 40 JKGB O=C(NNc1ncc(C(F)(F)F)cc1Cl)c1cccn1-c1ncc(C(F)(F)F)cc1Cl 3133277 SKTHCFJCVWDDOZ-UHFFFAOYSA-N 484.187 5.369 50 40 JKGB Cc1ccc(C(=O)NN(C(=O)Nc2ccccc2)c2nc(-c3ccc(Cl)cc3)cs2)cc1 3768081 AOARVCKZKXAENL-UHFFFAOYSA-N 462.962 6.155 50 40 JKGB Cc1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)s1 9262048 GEMSXHJXBJGNAN-TWKHWXDSSA-N 461.590 6.945 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(C)cc1 14152025 LPAKPSQRCMQFCB-FYJGNVAPSA-N 483.593 5.940 50 40 JKGB Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 14408905 KQSRMDBSXNQENX-BRJLIKDPSA-N 458.743 5.028 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cc(C(F)(F)F)ccc1Cl)C(N)=C(C#N)[C@@H]2c1ccccc1 15162695 ZBMSHRIBUJQDNP-NRFANRHFSA-N 471.910 6.300 50 40 JKGB CCC[C@@H](Br)C(=O)Nc1nc2c(Br)cc(Br)cc2s1 20132575 SSAUBVJPZIHUGV-SSDOTTSWSA-N 471.012 5.323 50 40 JKGB COCCOC(=O)C1=C(C)NC(SCc2ccccc2Cl)=C(C#N)[C@@H]1c1ccccc1Cl 20170729 AQAMHSJCJSEYOV-QFIPXVFZSA-N 489.424 5.812 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)cc4)c32)o1 22709950 JXUGZQJVAMVKIP-HXUWFJFHSA-N 473.876 5.425 50 40 JKGB CCOC(=O)Nc1sc(/C(C#N)=C/c2cc(OC)ccc2OC)nc1-c1ccc(Cl)cc1 26841848 OONBMEZYIPCVSH-LFIBNONCSA-N 469.950 6.113 50 40 JKGB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)[C@@H](Br)[C@]21C 36372110 KLRIHFBNZZHISJ-APAMGUIMSA-N 483.487 5.699 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1 59296958 JSEOUNBDCYBUOT-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccccc2)cc1OC 108076187 NKBQLLWLPLLXFI-UQQQWYQISA-N 461.400 5.961 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl 408544842 VNYWNUYZDMWDJU-UUYOSTAYSA-N 494.374 7.072 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1)c1ccc(Cl)cc1Cl 408581563 XXWVJOOKQBVWNU-RQZCQDPDSA-N 458.728 6.988 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(OCc3ccccc3)cc2)N2C(=N1)SC(C#N)=C2N 408603680 GRSUCTNWECZCAD-RUZDIDTESA-N 493.592 5.289 50 40 JKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)o2)c(Br)c1 408787433 ABZDDCLZGUVXBL-GXDHUFHOSA-N 452.264 5.471 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(Cl)cc2Cl)cc1 408797186 BRAFHTGJZVLHHP-UDWIEESQSA-N 481.379 6.689 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Br)cc1 408807091 ODIRSGYOPALYLV-CPNJWEJPSA-N 481.777 6.536 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccc(Br)cc1 408828155 VWDZLZUHWNQORZ-LGJNPRDNSA-N 466.766 5.869 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cc2ccccc2o1 408851512 CFYFJXNTNBSVRI-MXAYSNPKSA-N 494.301 5.446 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1Cc1ccccc1Cl 408885101 XKVKLQCRVJWKDC-LICLKQGHSA-N 453.325 5.844 50 40 JKGB CCOc1cc(OCC)c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Br 408963068 MERLQFYEDCNMJB-BHGWPJFGSA-N 459.262 5.029 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc(Br)cc1 408975365 ATVBDTKUXSNUIF-DEDYPNTBSA-N 488.385 6.676 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1 408985077 UXYSEPZCJZDADM-UCQKPKSFSA-N 486.955 6.200 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 409078544 ISZDACRQLKHFAL-SFQUDFHCSA-N 467.403 6.260 50 40 JKGB COc1cc(/C=N\NC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1ccc(C#N)cc1 409142777 DHKJYXYLGVZXFT-WKIKZPBSSA-N 498.764 5.326 50 40 JKGB C=CCc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OC)c1OCc1ccc(F)cc1 409216599 MRMMVAZRPMWRTH-WKULSOCRSA-N 499.007 6.038 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1 409222930 FPVYYXSZDFMPDK-XSFVSMFZSA-N 489.959 5.610 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409249960 KJPZJESWSANZOK-KGENOOAVSA-N 487.531 5.404 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409257907 UMSYGBQVWIIDCR-WKIKZPBSSA-N 486.355 5.092 50 40 JKGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OC 409327187 QWOVBSHPRKFCOL-RHANQZHGSA-N 492.959 5.102 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(C)c3)C(=O)N2c2ccc(C)cc2)cc1 935039 NQBPTIVULNHHNO-UZEPBSNMSA-N 467.594 5.677 50 40 JKGB CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1 1782615 MUHQIBZRBKBOBO-MOROIOLQSA-N 467.363 5.432 50 40 JKGB N#C/C(C(=O)Nc1ccccc1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 2356246 JKFCNINQRRNUCM-WTALZMIHSA-N 494.403 6.058 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)c1C 4047953 CDDMEVTYAGYOSM-NDZAJKAJSA-N 451.570 5.097 50 40 JKGB N#Cc1cccc(COc2ccc(Cl)cc2/C=N/NC(=O)Cc2ccc(Br)cc2)c1 9204253 JHMVNGIIGPHVID-MZJWZYIUSA-N 482.765 5.246 50 40 JKGB O=C(CCn1c2c(c3ccccc31)CCCC2)NN=Cc1ccc(OCc2ccccc2)cc1 12139964 YOHVXYMHZLBTPX-UHFFFAOYSA-N 451.570 5.640 50 40 JKGB O=C(N/N=c1/cnc(-c2ccc(Cl)cc2Cl)cn1-c1ccccc1)c1cccc(Cl)c1 12377168 QRVYZJWUEWWABL-SLMZUGIISA-N 469.759 5.745 50 40 JKGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc1 18193399 IEXCWYJOTIGDKH-CJZWEDTOSA-N 451.570 5.155 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 28216753 SLXOOBRURCBSDF-ROCQKPIASA-N 460.430 6.173 50 40 JKGB CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 33406497 ZYQJBPZBNADCLD-LGMDPLHJSA-N 450.888 6.864 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC 59483572 TUSLLURIPRINDM-XNTDXEJSSA-N 463.759 5.836 50 40 JKGB FC(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103528784 JYJHRRCILRYNGT-REOHCLBHSA-N 491.988 5.846 50 40 JKGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408568758 WWJYJRVSKZZDPB-MUFRIFMGSA-N 469.412 6.563 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1 408677834 VICBRKYFMKSMJZ-AJBULDERSA-N 463.581 6.091 50 40 JKGB N#C/C(=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 408752085 FUGYYHSTRJDOEX-WJDWOHSUSA-N 463.324 5.994 50 40 JKGB COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Br 408792849 LSWVHRAYQHDEBW-XDHOZWIPSA-N 493.357 5.591 50 40 JKGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(Br)c1 408814350 ZCKFUUKTWLRGTN-INMPACNKSA-N 478.390 5.502 50 40 JKGB O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 408869461 PPFFVADUJQDQHA-PPOKSSTKSA-N 487.647 6.157 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 408885476 ANDPPECVMNMHKG-LGJNPRDNSA-N 487.781 5.762 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2Br)ccc2ccccc12)C(=O)Nc1ccccc1 408891013 JXIIEOMDCRQQQC-LTGZKZEYSA-N 483.365 6.727 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C 408945253 NLUDRZQDJMSDFL-MFOYZWKCSA-N 468.340 5.953 50 40 JKGB N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)NCCc1c[nH]c2ccccc12 408955363 UHHNETPWTTUSAD-LGMDPLHJSA-N 453.527 5.054 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc2ncccc2c1 408967085 PTTPXLSPPMVRLC-MZFJOGFUSA-N 474.564 5.838 50 40 JKGB COc1ccc2c(Cl)c(C(=O)N/N=C\c3cccc(Br)c3)sc2c1Cl 408969257 KDWOQEGFAQIHJR-WNFQYIGGSA-N 458.164 5.743 50 40 JKGB C/C(=N\NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 409025669 XWPFYAHXRKWSRQ-XHLNEMQHSA-N 491.657 5.413 50 40 JKGB CCOC(=O)Cn1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc21 409037152 SODDZSJIUTYSEQ-OCSSWDANSA-N 476.536 5.184 50 40 JKGB N#Cc1ccc(COc2ccccc2/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 409038839 PQHKVXIIVQQRLZ-FMFFXOCNSA-N 482.543 6.116 50 40 JKGB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1 409129369 GKQSFYHVXJMDEG-MSXFZWOLSA-N 460.342 6.125 50 40 JKGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3cc(Br)ccc3O)o2)ccc1Cl 409160373 HJUBAEGFIIUUBF-BHGWPJFGSA-N 491.725 5.009 50 40 JKGB O=C(N/N=C\c1cc(Br)cc(Br)c1O)C(c1ccccc1)c1ccccc1 409391287 IWRSWQJYHDILNT-CFRMEGHHSA-N 488.179 5.199 50 40 JKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 2231901 LQYKGCWHLUELAO-ARFXMCQGSA-N 453.567 5.368 50 40 JKGB CCOC(=O)/C(C#N)=C/C=C1\C=CN(CC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21 2294985 YRDXXOVXSOGTEB-WQNFXUPNSA-N 460.533 5.967 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)NC(=O)C[C@@H]1c1ccc(Cl)cc1 2309872 BEUDRJUVPDJPEO-JOCHJYFZSA-N 489.984 5.843 50 40 JKGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 3314962 NLGWUGWDXVLDRW-JVWAILMASA-N 482.005 5.298 50 40 JKGB CC(C)(C)c1ccc(-c2nnc(SCSC#N)n2-c2ccc(Br)cc2)cc1 3355906 MYVFVUCYHPOGBW-UHFFFAOYSA-N 459.438 6.258 50 40 JKGB Cc1ccc(C)c(OCCn2cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c3ccccc32)c1 9010563 ZXQMWLCDEICFCT-PGMHBOJBSA-N 453.517 6.022 50 40 JKGB CCCCOc1cccc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c1 9353395 HUGGXYYBFVPLRS-SAPNQHFASA-N 454.393 6.728 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)ccc1OC(=O)c1cccs1 9434606 YWBZNXSGHZFLRF-CVKSISIWSA-N 466.559 5.019 50 40 JKGB N#C/C(=C\c1cc(Br)cc(Br)c1O)C(=O)Nc1cccc2ccccc12 12273686 SOHLZBLPWRAMQE-RIYZIHGNSA-N 472.136 5.616 50 40 JKGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\c2cc(Br)c(Br)o2)cc1 12362697 QLEQWJISSOLVRA-SUGNRZHCSA-N 468.189 5.356 50 40 JKGB CCCCOC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1 13045369 OVDQHSWHJXLJHR-QFIPXVFZSA-N 485.993 5.344 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1 14151823 NAOUFCYCXWDIBN-DEDYPNTBSA-N 469.566 5.632 50 40 JKGB Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)c3cc4ccccc4cc3O)c2C)c1 20243895 XVKHUYXSBNTRIX-CCVNUDIWSA-N 490.401 6.096 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)c1ccccc1 20551275 VURFATIDJMHISS-BRYYZUPOSA-N 475.759 6.603 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 59224509 YNYPRADHHCIUBI-GZTJUZNOSA-N 468.296 6.026 50 40 JKGB CCCCCCCCCCCCCCCCCC(=O)N/N=C\c1ccc(OCC)c(OC)c1 104164735 OACNROKOHBGADH-OLFWJLLRSA-N 460.703 7.806 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Cl 105064285 SULLXJJDAAOQNZ-RPPGKUMJSA-N 476.747 5.315 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCc1ccccc1F 209483983 KOCHTILPUNLKQU-RGVLZGJSSA-N 499.323 6.391 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1nc2ccc(F)cc2[nH]1 408568260 SGGREZXRPNBQKY-CHHVJCJISA-N 456.279 6.791 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1ccc(Cl)cc1Cl 408578786 AWAJVTUYOMLCFP-VIZOYTHASA-N 467.154 8.082 50 40 JKGB COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3)n2)cc1 408723976 BMZBCFIISXZNDG-NDZAJKAJSA-N 474.520 5.243 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)NCc1ccccc1 408746704 FXDVBCNZFFWQFY-GRSHGNNSSA-N 455.316 5.935 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1cc(Cl)ccc1Cl 408756352 QMIYDXUZKLAGNZ-XFFZJAGNSA-N 462.676 6.361 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1 408793271 OBZNOYJFTVEYIW-VXLYETTFSA-N 481.335 6.125 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1Cc1ccccc1Cl 408871544 YUKCLZATULBKFG-XDHOZWIPSA-N 481.379 6.537 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2Br)cc1 408877381 RDXQJSUCKFYRGR-LTGZKZEYSA-N 461.359 5.984 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Cl)c1)C(=O)Nc1ccccc1 408889850 JXQRKYSVSZZVFY-LDADJPATSA-N 467.750 6.227 50 40 JKGB Cc1ccc(Sc2oc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2Br)cc1 408913072 SJHICZHGFDDGEZ-BOPFTXTBSA-N 453.361 5.725 50 40 JKGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 408958049 XGVJAYFJYLHIMO-RJRGJQMYSA-N 475.814 5.958 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1ccc(Cl)c(Cl)c1 408963805 AWJNAFQIQMJXDU-VFLNYLIXSA-N 486.330 5.746 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1cccc(Cl)c1Cl 409001956 RGKGRJHRZIETCD-OPEKNORGSA-N 450.753 5.583 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(O)cc1 409074562 MYKWHPYWZJCTBZ-RVDMUPIBSA-N 489.336 5.012 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 409229400 OMQLQWYQYFRIHJ-FXONECCMSA-N 496.994 6.865 50 40 JKGB COc1cccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)c1 409255139 KNLFKNMWQOAWIT-WKIKZPBSSA-N 486.355 5.092 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1Cl 409255396 HRPKADKDVQQDQP-WOJGMQOQSA-N 480.351 5.865 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1OCC 409335046 NVAXENOLWHXJOH-PKAZHMFMSA-N 477.517 5.125 50 40 JKGB Cc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2OCc2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1C 664726 CMHJMASUTXDGRZ-XMMPIXPASA-N 482.971 6.144 50 40 JKGB CC(C)Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1 985840 IVGXJCMVINQOIW-VWLOTQADSA-N 490.563 5.713 50 40 JKGB N#C/C(=C/c1ccccc1Cl)C(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cl)cc1 6149451 AETZQXQYFNFTGV-LRVMPXQBSA-N 487.346 6.085 50 40 JKGB CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccccc1F 9015040 AQBYLCXTEKEWSQ-FGZHOGPDSA-N 495.576 5.091 50 40 JKGB COc1ccccc1C(=O)NC1=C(C#N)[C@H](c2ccc(Cl)cc2)c2ccc3ccccc3c2O1 9730687 JSJKNQHGUIDZJG-RUZDIDTESA-N 466.924 6.191 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(C(=O)O)cc1 15013067 WYDZBCPFGZNMPI-XKZIYDEJSA-N 456.498 5.135 50 40 JKGB CCOc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c2ccccc12 17167023 VRPNZYLUWYBKFP-QXPFVDMISA-N 473.576 6.769 50 40 JKGB CO[C@@H](C(=O)N/N=C/c1c(Br)c(C)n(-c2ccc(C)cc2C)c1C)c1ccccc1 20243803 UHTNJNSVTXVZHX-SIBVSACJSA-N 468.395 5.311 50 40 JKGB C[C@@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4n3C)ccc2O1 26841802 PNKQLVFIOIRKSA-NDWLXSOOSA-N 457.537 5.814 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F 27520639 KIFNODIHJLWCOZ-XNTDXEJSSA-N 480.402 6.355 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CSCc4ccccc4)cc3)c2C)cc1C 28216944 YXMZESFLAPIWRP-FDAWAROLSA-N 481.665 6.908 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC 33779937 MWDUAFISYLUDNL-CPNJWEJPSA-N 473.367 6.779 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 35103514 FDNDVLXWXUZIJO-XYGWBWBKSA-N 488.547 5.796 50 40 JKGB COc1ccc(/C=N\NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1CSCc1ccco1 36044795 BTWZRGKWCWWHCQ-IQOZHHFWSA-N 476.642 6.273 50 40 JKGB C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 38160207 MDEVGSRYRLSVOE-PIWCKYFHSA-N 465.553 5.193 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2C)cc1C 58913320 SHQHGJUJZAALIG-XKJRVUDJSA-N 490.913 5.472 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 59034399 JYDSPOGIOIBGJI-RPPGKUMJSA-N 486.380 5.956 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1Cl 59266381 JHAQEEYPQBFIAS-XDHOZWIPSA-N 467.352 6.435 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1C 59297343 WQCGJHYABTZBSR-UDWIEESQSA-N 479.349 6.330 50 40 JKGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N=C2CCCC(O)=C21 102522138 WMVAYSBUSJMNQC-VWLOTQADSA-N 473.598 6.035 50 40 JKGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccccc2C)N=C2CCCC(O)=C21 102865032 YWNHLOUKVOQQFB-VWLOTQADSA-N 473.598 6.035 50 40 JKGB COc1cc(/C=N\c2cc(Cl)ccc2-n2ccnc2C)ccc1N(CCCl)CCCl 104132827 TZETXSULGWHLRO-DICXZTSXSA-N 465.812 5.877 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 107865840 QSLYOKMQFOOMLE-AQTBWJFISA-N 461.389 6.897 50 40 JKGB C=C(O[Si](C)(C)Oc1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C)c1ccc(Cl)cc1 195791832 SLUTYRMASYMDTO-UHFFFAOYSA-N 473.173 9.001 50 40 JKGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2C(C)=CC1(C)C 208520182 HMLVINBPWDDRMJ-UCQKPKSFSA-N 452.602 5.764 50 40 JKGB N#C/C(=C\c1ccc(N2CCCC2)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2 408552616 KIBJCCGCBCXERW-XDJHFCHBSA-N 452.583 5.798 50 40 JKGB C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(OC)c(OC)c1 408580415 BRMFYOZRHVYQPZ-OVCLIPMQSA-N 477.152 5.305 50 40 JKGB COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc(Cl)c1OCc1ccccc1 408606361 LQIANZUTHKGXRJ-FQEVSTJZSA-N 493.991 5.041 50 40 JKGB Cc1ccc(COc2ccc(/C=N/NC(=O)CSCc3ccccc3Br)cc2)cc1 408720331 ZBXCGBIBGAZGPB-VULFUBBASA-N 483.431 5.720 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 408744326 KLJQFIXWEFYSNP-AQTBWJFISA-N 454.357 6.345 50 40 JKGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OCC 408752941 DNECJNJORULXSQ-DHDCSXOGSA-N 459.727 5.059 50 40 JKGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 408777361 ZEAPBIGZHFSBRJ-NHFJDJAPSA-N 484.021 5.001 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(C)cc1 408783594 OYMTXWDYUIYGCU-HFTWOUSFSA-N 477.608 5.558 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408791889 DWPXDBDDJMXFKL-LICLKQGHSA-N 468.296 6.026 50 40 JKGB N#C/C(=C\c1ccccc1Cc1ccccc1Br)C(=O)Nc1cccc(Cl)c1 408878870 CYFGKWKWQHJAFQ-CPNJWEJPSA-N 451.751 6.239 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1 408886978 NFRHZXFJAZPLOB-DEDYPNTBSA-N 480.973 5.579 50 40 JKGB Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1 408889307 BPUMKRRSFNBXGN-CIAFOILYSA-N 465.380 7.043 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1cc(C)cc(C)c1 408891098 LKOLRDGZTAKAGD-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc3ccccc3c2)c1OCc1ccc(Cl)c(Cl)c1 408891124 LVLBISBBHIFUDC-WKULSOCRSA-N 479.363 6.498 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)c([N+](=O)[O-])c1 408895639 UVTQHNJFTQBNFE-GZTJUZNOSA-N 496.306 5.975 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c([N+](=O)[O-])c1 408901067 ZVFRNLQSNVUBSM-WOJGMQOQSA-N 482.323 6.335 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1Cl 408985888 LALMWISMQAGQIH-MOSHPQCFSA-N 484.943 6.414 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc(F)c1 408988066 GSYQFRADIHHIOY-WQRHYEAKSA-N 499.767 6.675 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)cc1OC 408996323 HNKVGDLSECIZTB-LGJNPRDNSA-N 472.328 5.027 50 40 JKGB N#Cc1ccccc1COc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 409032640 CRFDYVVGZFJNEY-FMFFXOCNSA-N 482.543 6.116 50 40 JKGB O=C(CCc1ccccc1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 409038434 VJVZKKQHBINNGN-RWPZCVJISA-N 450.369 6.079 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OCC)c1OCc1ccc(Br)cc1 409072206 MNAQNOLPMWTVNL-LFVJCYFKSA-N 474.398 7.219 50 40 JKGB O=C(N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)[C@H]1CC(=O)N(c2ccccc2)C1 409250127 LJQUIEKNBCXDRH-BFWPAWLWSA-N 482.367 5.076 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2F)ccc1OC 409317862 WKQGIFLNWPFKFW-VYYCAZPPSA-N 456.901 5.229 50 40 JKGB O=C(NNc1ncc(C(F)(F)F)cc1Cl)c1cc(C(=O)c2ccc(Cl)cc2Cl)c[nH]1 1384767 SAWIHMFRKVIZAA-UHFFFAOYSA-N 477.657 5.377 50 40 JKGB Cc1cc(C(C)(C)C)ccc1OCC(=O)N/N=C/c1cc(Br)cc(Br)c1O 3039238 BFFKOIHCDCGJRX-AUEPDCJTSA-N 498.215 5.052 50 40 JKGB C/C(=N/NC(=O)Cc1ccc(Br)c2ccccc12)c1ccc(Br)s1 4181010 NLRSICJXRPRZQT-NHDPSOOVSA-N 466.198 5.509 50 40 JKGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1cc(/N=N/c3ccccc3Cl)ccc1O)CO2 8721741 NHQJJWXPBFELOA-TZYLPTIASA-N 492.963 6.049 50 40 JKGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 9908292 JKCHFNLDDRYHIO-ZCTHSVRISA-N 486.612 6.030 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OCc1cccc2ccccc12 12590179 UNRSUKNRUMKPET-PXLXIMEGSA-N 479.492 5.881 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2ccc3ccccc3n2)c(C)n1-c1ccc(-c2ccccc2)cc1 13633469 DADGHQUDKREMPQ-DXJNIWACSA-N 474.564 5.838 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2 14151866 MTZOPWLAJXPUGN-CPNJWEJPSA-N 497.023 6.701 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 19824569 HIGUANYDBXBZDX-VXLYETTFSA-N 481.943 5.366 50 40 JKGB Cc1c(Br)c(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccccc1 20243750 BWDZSYCUSFMJHY-IXBOPPFXSA-N 490.854 6.141 50 40 JKGB Cc1ccc(CN2c3ccccc3C3=C([C@@H](c4ccc(Cl)cc4)C(C#N)=C(N)O3)S2(=O)=O)cc1 20558554 DWSZFWYLHABSEW-QHCPKHFHSA-N 489.984 5.175 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OC(C)C)o2)cc1 33450591 NNADMRONIPASIN-RHANQZHGSA-N 471.557 5.817 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)ccc1OCc1cccc(C(=O)O)c1 59249221 RMJWCJMELUBGTB-NVMNQCDNSA-N 454.309 6.343 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1cccc2ccccc12 59447356 FNZBRPSOCZXLKM-STBIYBPSSA-N 458.945 6.235 50 40 JKGB Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(O)CCCC3=N2)c(C)c1 95483823 BZLGAAIJEJFEFY-XMMPIXPASA-N 492.044 6.907 50 40 JKGB COC(=O)c1ccc(COc2ccccc2/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 96399868 GYYBPDUQLCDYOU-ZHZULCJRSA-N 494.519 5.913 50 40 JKGB CCCCC/C=C\C[C@H](Cl)[C@H](Cl)CCCCCCCC(=O)[C@H](C(=O)O)[C@H](O)C[N+](C)(C)C 100500842 WZOYZEOQYHNNJM-SKTJCFHCSA-O 495.552 5.796 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C(F)(F)F)C3=C(O)CCCC3=N2)c1 100703126 GNJYRVOFKZVIEA-QHCPKHFHSA-N 497.542 6.655 50 40 JKGB COc1cc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Br)cc1 103592913 LOUWXDJCBLIFAV-WLRTZDKTSA-N 484.302 5.564 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(N)=S 408541632 COCRQSKKFYALMG-BJMVGYQFSA-N 472.242 5.361 50 40 JKGB C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(Br)cc1 408581243 VIMWZQDZAATYID-RIYZIHGNSA-N 495.996 6.050 50 40 JKGB CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OCC 408725546 LMWGOBNDYMTPBO-BOPFTXTBSA-N 490.341 5.333 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3cccc(Cl)c3)o2)c(Cl)c1 408741841 SHUPETAVRKORJC-VYYCAZPPSA-N 452.341 6.425 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)c(OCC)c2)c1 408744290 DTUWHLBEHDTZCC-BKUYFWCQSA-N 460.505 5.748 50 40 JKGB Cc1ccc(Cl)cc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(C)(=O)=O 408785859 IQZOENGUDDGKEV-UHFFFAOYSA-N 456.052 5.191 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 408790763 YKAFSYOTNDLKEK-HYARGMPZSA-N 475.386 6.445 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1C 408801650 VCRASSABOPHVQE-UDWIEESQSA-N 495.804 6.844 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 408810991 VESPROVTZWJOEZ-XDHOZWIPSA-N 485.798 7.334 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)c(C)c1 408813024 CVYMKPXOYIWMKU-BKUYFWCQSA-N 454.599 6.069 50 40 JKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2Br)c1 408868394 OHBUGTJNCKYIBK-YDZHTSKRSA-N 459.387 6.511 50 40 JKGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)o1 409029938 DFZQQFJLGBERJH-STBIYBPSSA-N 492.491 5.843 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OCC)c1OCc1cccc2ccccc12 409064353 GUORBGHHMGCWJD-ZXVVBBHZSA-N 488.587 7.092 50 40 JKGB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)c2C)cc1 409200156 QQUXHAXLHMEERX-BUVRLJJBSA-N 499.567 5.003 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 409242686 SGDRPIIQSFHMRU-WBRURWICSA-N 451.353 6.357 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 409255566 IAIYFGYPRYDFJW-GZTJUZNOSA-N 468.296 5.983 50 40 JKGB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c1C 2323379 KLXUKULISKFYML-RPPGKUMJSA-N 494.345 5.373 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1 2553463 CMJUXCNCUPCBCM-CXUHLZMHSA-N 458.370 5.985 50 40 JKGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 2553608 IVEXLWXWCUBJIE-QGOAFFKASA-N 469.488 5.863 50 40 JKGB O=C(NNC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1)c1ccccc1F 2617847 JZUSXPJNEZNIKU-UHFFFAOYSA-N 454.910 5.592 50 40 JKGB O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc2ccccc12 2727015 HUYMXCCCPBIPBR-DHRITJCHSA-N 485.790 6.764 50 40 JKGB CC(=O)c1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1F)N2 4063751 RQWJLQMHPALCFV-YSUFFMFVSA-N 496.991 6.975 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c2C)c1 8811036 LRJIQKFMJKYNCO-STBIYBPSSA-N 498.539 5.450 50 40 JKGB Cc1ccccc1C(=O)N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12 9202441 RRZHVHVYMVFOSX-LQKURTRISA-N 473.370 6.254 50 40 JKGB O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)N/N=C(/C=C/c1ccccc1)c1ccccc1 9425668 WPPPNSVDZXBBGK-CDNSVDIBSA-N 466.368 5.946 50 40 JKGB Cc1ccc(/N=N/c2ccc(O)c(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2)cc1C 9908265 APJOFXYJIHCJQG-JYCQOPBASA-N 478.552 5.811 50 40 JKGB Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)CSc3nc4ccccc4s3)cc2)c1 13381945 YOIFFPRUBXFQDW-AFUMVMLFSA-N 461.568 5.066 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1 14151837 GZBDJTAGBMKBHW-KGENOOAVSA-N 483.593 6.022 50 40 JKGB COc1ccc2cc(/C=N/NC(=O)CSC3c4ccccc4-c4ccccc43)c(Cl)nc2c1 16227858 QIQAMYKMAMMFTN-CCVNUDIWSA-N 473.985 5.850 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1ccccc1Cl 33627659 WUGYXDJXISGZLQ-STBIYBPSSA-N 458.945 6.235 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 33771686 BFTVSPATXSVSJF-OYKKKHCWSA-N 484.508 6.063 50 40 JKGB Cc1ccc(OCCn2cc(/C=C(C#N)/C(O)=N/c3nc4ccccc4s3)c3ccccc32)cc1 41120688 OISRHKJGGVSXIW-CAPFRKAQSA-N 478.577 6.834 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c(C)n1-c1cc(Cl)ccc1Cl 58912977 JNXCXCVCEFQSQF-OPEKNORGSA-N 463.752 5.143 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2cccs2)C2=C(O)CCCC2=N1 102572604 PPBVHRXLLPEBLV-NRFANRHFSA-N 470.019 6.351 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1Br 408588199 IHLALBRAKVXSJK-BHGWPJFGSA-N 465.178 5.927 50 40 JKGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1 408720274 XGRKHIHHLRGVDZ-LJVLJBDNSA-N 454.595 6.191 50 40 JKGB CCOc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(OCC)c3)cc2)cc1 408754294 MIKALFBYBSGYMQ-LTGZKZEYSA-N 485.540 5.047 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 408793113 DBJLFQZVSQCNQI-HYARGMPZSA-N 471.513 5.681 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(F)c2)c1 408795155 LIQJMPIRXXSWRC-XDHOZWIPSA-N 465.322 6.021 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc2ccccc2c1 408797272 QPTCTNQIGYPESZ-WGOQTCKBSA-N 462.549 6.672 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1Cc1cc(C)cc(C)c1 408885427 ZSKOBHACGTWCMM-SRZZPIQSSA-N 479.407 7.145 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cc(C)cc(C)c1 408895228 UJEIJERYSUVGKI-UFFVCSGVSA-N 495.406 7.052 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 408925178 QIJIFFPUKVVJFZ-GZTJUZNOSA-N 495.333 5.319 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(Br)c(Cl)c1 408938200 HJBKYDGVBRSUHA-ROTLSHHCSA-N 470.754 6.020 50 40 JKGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)c1 409029485 BBDSGKAIPODCHI-ZCTHSVRISA-N 489.531 6.102 50 40 JKGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC 409032308 CLGIBTNFJFUKBB-RHANQZHGSA-N 469.928 5.340 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1 409045417 YHZBCDYIOOXGDZ-SFQUDFHCSA-N 466.324 5.557 50 40 JKGB CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 409045567 ZFPAZCAHAMVYQH-MDWZMJQESA-N 482.147 5.685 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409081275 GVCAAGSZABCTRV-OQLLNIDSSA-N 494.847 5.503 50 40 JKGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 409145190 PPOMPXQKVMGMAD-FCLYZYNOSA-N 460.430 6.340 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2ccccc2)cc(Br)c1OCc1ccc(C)cc1 409185438 YXKZUDCEUAPCNW-VULFUBBASA-N 499.430 5.588 50 40 JKGB CCOc1cc(OCC)c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br 409241771 YMNCANJPJGYNBN-ZSOIEALJSA-N 483.284 5.811 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1 409249617 KRPXSZDYPDVISM-NDENLUEZSA-N 481.474 5.835 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2Cl)cc1OCC 409310366 ATTRQPZEOIYMJR-MWLSYYOVSA-N 499.394 6.300 50 40 JKGB C=C(/C(C#N)=C/c1ccc2c(c1)OCO2)N(Cc1ccc(Cl)cc1Cl)c1ccccc1N 409333655 KZWHHNXIMVIQNQ-VXLYETTFSA-N 464.352 6.432 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(OCC)c1OCc1ccc(Cl)cc1 409370864 CFACJRNFYQRFEF-PXLXIMEGSA-N 450.966 5.576 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1c(OCc2ccccc2)ccc2ccccc12 679128 KICKAMWCEFHYLO-AREMUKBSSA-N 450.538 5.870 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(C)cc2)cc1 935055 AESZYBDQFLYYDR-FYAMCCBRSA-N 471.557 5.508 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCc3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 1887722 AMPNWXBBLXGXLE-IEQIIXMPSA-N 467.594 5.046 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccc2ccccc2c1 2128536 YDJZNIDWJJMZBL-GDLZYMKVSA-N 492.531 5.764 50 40 JKGB Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C)o3)C3=C(CCCC3=O)N2)c(C)c1 2311083 WXDCWVROVZGECW-HSZRJFAPSA-N 461.587 5.314 50 40 JKGB CC/C(C)=N/NC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)n1 8694820 QGTUGXGOHVCYBK-UVHMKAGCSA-N 457.481 5.684 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1Oc1nc(Cl)ncc1F 8722638 KYTIBDVTSPVIHJ-MDWZMJQESA-N 459.264 5.269 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccc(F)cc1 8812078 OVVZPAGTVFNYLT-RWPZCVJISA-N 477.333 6.084 50 40 JKGB N#C/C(=C\Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccc(Br)cc2)cs1 9327496 QSBKCYWVSDSBAZ-JLHYYAGUSA-N 450.283 6.568 50 40 JKGB N#CC(/C(O)=N/c1ccccc1)=C1/S[C@@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 9909881 JXNAROPEQRYAJU-JSIHEXFSSA-N 488.500 5.448 50 40 JKGB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N/N=C(\C)C(C)(C)C)cc1 14165735 BJNWAQHRSNBOCI-VFCFBJKWSA-N 493.629 5.243 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 16195569 HQFDVSPFOXRTQP-ODLFYWEKSA-N 465.303 6.009 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2)c1C 16666315 GYUCKAIWGLUKEF-HEQFHQOESA-N 488.012 6.022 50 40 JKGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1 19831329 LMQBAQAVNSNAIG-AREMUKBSSA-N 498.608 5.549 50 40 JKGB CCCc1n[nH]c2c1[C@H](c1ccc(OC)c(CSc3nc4ccccc4s3)c1)C(C#N)=C(N)O2 22748005 VOWXAYIFOWUQAM-OAQYLSRUSA-N 489.626 5.491 50 40 JKGB Cc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl 28217034 CIONKAZNGQDNST-LGJNPRDNSA-N 480.848 6.687 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)[nH]c2c1 33403679 PDPCJLSJZWMAQD-PDGQHHTCSA-N 457.364 7.245 50 40 JKGB N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1nc2ccccc2s1 33568780 QOIWGUPMZWCCFI-SOUQWLJBSA-N 482.612 7.716 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cccc(Br)c2)c1OCc1ccccc1Cl 58871156 LJPBPKKLFPSZDP-DHRITJCHSA-N 473.754 5.454 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)c1 59201304 QQXJNMBKFMKAPA-UDWIEESQSA-N 495.804 6.844 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(F)cc1 59297184 DJUUJKSXQAEZSH-UDWIEESQSA-N 464.924 6.311 50 40 JKGB O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc(Cl)c(Cl)c1 59922288 VWMKQHXSDXCZSK-KBKYJPHKSA-N 482.150 6.283 50 40 JKGB COC(=O)c1scc(-c2ccccc2)c1N=P(c1ccccc1)(c1ccccc1)c1ccccc1 100025628 AEWDYEAWAYKPMS-UHFFFAOYSA-N 493.568 7.011 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)N=C3CC(C)(C)CC(O)=C32)cc1 100708027 KNBHWFSMXPZOCA-XMMPIXPASA-N 473.598 5.973 50 40 JKGB CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)sc(C(C)=O)c1C 101047812 MROIFDSLBMGLLA-XNTDXEJSSA-N 482.543 5.444 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(I)c1)c1ccc(C(=O)O)cc1 408540930 CWVSSUOSCBZCER-NDENLUEZSA-N 481.289 5.633 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(C#N)c1C 408546330 GVKOSVMTQVCGDP-OVCLIPMQSA-N 499.375 6.390 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)cc2)c(C#N)c1C 408547208 VHPBGALFBHXIOD-LPYMAVHISA-N 484.577 5.711 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(Sc2ccccc2)cc1 408570456 VIAGTXTYMYWHQY-PCLIKHOPSA-N 466.653 5.846 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)c(Cl)c1 408741625 RDRUXXZJNBLVRS-QDTIIGTASA-N 486.786 7.078 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)c(OCC)c2)cc1 408746183 YBDKPGYYRXLIAE-BKUYFWCQSA-N 486.524 5.337 50 40 JKGB N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1cccc(Cl)c1 408761173 CAJYPMJQSSFAHO-KGENOOAVSA-N 488.952 5.807 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 408793627 PTDBUOBYPHWFFP-VCHYOVAHSA-N 482.323 6.335 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 408795858 WKDJFPXEORZDBV-KGENOOAVSA-N 473.359 7.271 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408798217 VJADZPVIIXWWBD-GZTJUZNOSA-N 468.296 6.026 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(C)c(C)c3)ccc3ccccc23)cc1 408806037 AGEBSEQEGIQALN-XIEYBQDHSA-N 476.576 6.980 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1 408808919 GLUJAZPAIABAES-OVBDPADQSA-N 461.359 5.812 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 408815537 JSDAQAKXKLJTLX-UNOMPAQXSA-N 454.357 5.633 50 40 JKGB Cc1ccc2c(Cl)c(C(=O)NNC(=O)c3ccc(NC(=O)c4ccccc4)cc3)sc2c1 408841696 GTXCGIHGAKDRKD-UHFFFAOYSA-N 463.946 5.190 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccccc1OCc1ccccc1Cl 408879833 HJSNYFZZSHSCFQ-DHRITJCHSA-N 451.935 5.303 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC(=O)c3cccc4ccccc34)c2)c([N+](=O)[O-])c1 408886048 HJORBEYAVUEEFW-XSFVSMFZSA-N 493.475 5.521 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1 408900198 UAMUFITWVHSQBI-HAVVHWLPSA-N 496.588 6.078 50 40 JKGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cccc(Cl)c2Cl)c(Br)c1 408923508 IZWJLIKDSLJFOZ-YRNVUSSQSA-N 488.994 6.373 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 408942314 ZBQFBOJZFHOXDE-JAIQZWGSSA-N 451.353 6.735 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408948379 RJAQFDOFZPWZIR-KIBLKLHPSA-N 464.736 5.516 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1C#N 408961103 ACWFELLGIDOLML-FJEPWZHXSA-N 467.447 5.319 50 40 JKGB O=C(N/N=C/c1cc(Br)c(Sc2ccccc2)o1)c1cccc(C(F)(F)F)c1 408966584 MHKVEFLGJAKLEE-BHGWPJFGSA-N 469.282 5.976 50 40 JKGB Cc1cc(/C=N\NC(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc2ncccc2c1 408967472 SAONJMJGFZMTOE-WGARJPEWSA-N 462.351 5.560 50 40 JKGB O=C(O)COc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Cl 409032069 ICNRLJJNZNXYND-QDTIIGTASA-N 494.334 5.436 50 40 JKGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(Br)c1 409047730 MXHAWYYJDFITDD-VWTRKEEHSA-N 466.379 5.176 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1C#N 409215480 ZRNNZCNUJKZJQI-JMIUGGIZSA-N 490.313 5.881 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccccc1 409253151 YVZFMSSIUCWZJR-DICXZTSXSA-N 485.353 5.259 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3c(OCc4ccccc4Cl)ccc4ccccc34)[nH]c2c1 409392889 SWRRCZMYDANSIL-ZHZULCJRSA-N 465.940 7.021 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc(C)c1C 2351302 RVSALDQVZKRMBC-LFIBNONCSA-N 465.487 5.256 50 40 JKGB COc1ccc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccccc1Cl 2769728 KEQMUOXTPUGDRA-NBGIEHNGSA-N 470.960 5.521 50 40 JKGB Cc1ccc(C)c(OCC(=O)N/N=C\c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)c1 9846773 LCJRKPSBOQERHW-MRUKODCESA-N 451.737 6.053 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@H]1[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 11612185 SHGQHJXEYIXIDA-OQOFHLOUSA-N 467.572 6.307 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1cc(C(=O)O)ccc1Cl 12445257 SYUNRQYLTICOGO-MFOYZWKCSA-N 498.764 5.754 50 40 JKGB Cc1ccc(Nc2cc3c(nc(CCl)n3CC(C)C)c3c2C(=O)c2ccccc2C3=O)cc1 15080134 TWVLDBIZOTXEBY-UHFFFAOYSA-N 457.961 6.259 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccc(Cl)cc1 15945817 BJYPIXPHPHXKGJ-KKMKTNMSSA-N 487.339 5.003 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)c(C)c1 16701183 AQVVAYNHFVSPHX-PYCFMQQDSA-N 468.601 5.992 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1OC 33445661 VWCUSKBPFMGNFA-VYYCAZPPSA-N 456.892 6.090 50 40 JKGB C/C(=N\NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1)c1ccc(C(C)(C)C)cc1 57315305 IMCGNCAGNYFGCV-UQRQXUALSA-N 468.645 5.460 50 40 JKGB CC(C)(C)c1ccc(Oc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2[N+](=O)[O-])cc1 96398836 ZDAXKBGMJHHDAQ-QNGOZBTKSA-N 455.514 5.908 50 40 JKGB Cc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)c(C)n1-c1ccc(Cl)c(Cl)c1 107622159 ANCGWUSLYZINOH-LICLKQGHSA-N 456.423 7.667 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(I)c1OCC 208796693 TVGHOFXCUYPYTI-NTEUORMPSA-N 459.287 5.029 50 40 JKGB COc1cc(COc2ccccc2/C=N\NC(=O)c2ccccc2)ccc1OCc1ccccc1 408540378 QYIDHVXCXLGSDJ-FSGOGVSDSA-N 466.537 5.617 50 40 JKGB COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2C)n1 408725995 RGFCUKJPVBTJQC-NDZAJKAJSA-N 460.537 5.773 50 40 JKGB O=C(N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 408734892 GRXAKQMREYRQNA-WKIKZPBSSA-N 494.338 5.577 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc2c(c1)OCO2 408740983 GCMWASZHIKRLET-NVMNQCDNSA-N 462.889 5.202 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1cccc(F)c1 408743102 DOUZMHGTCXMNBG-GRSHGNNSSA-N 495.348 6.030 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 408744934 IIHYONUNFDEHNK-ZDLGFXPLSA-N 493.903 5.390 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1cccc(C)c1 408752213 CFXIBFXKEVAWGP-BKUYFWCQSA-N 491.385 6.281 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Br)cc1 408762666 KSPUDIXYWBUNHY-QGOAFFKASA-N 497.370 5.071 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccccc1Cl 408769355 RXTQFELVRFFVSU-QNGOZBTKSA-N 475.976 5.929 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1ccc(O)cc1 408789364 PFNAJOWLSULCDV-UDWIEESQSA-N 489.358 6.977 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(Cl)c2)c1C 408886125 DPBONMHVZQMSIK-UDWIEESQSA-N 495.804 6.844 50 40 JKGB CCCCOc1ccccc1/C=N/NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 408900175 TXBPGDCQUCSWRA-VUTHCHCSSA-N 452.639 6.249 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c([N+](=O)[O-])c1 408922098 DDTKNPFETXWBHM-GZTJUZNOSA-N 450.882 5.210 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)c(C)c1 408982075 FMNOUZSTDKAMSM-MTJSOVHGSA-N 461.949 5.697 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccccc1OCc1cccc(Cl)c1)c1ccccc1 409001105 GUTWJOVQCMWTRM-ZVMZLPNLSA-N 479.964 5.247 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccccc1C 409008481 WWHYGSUZAMBTLC-HAHDFKILSA-N 483.568 5.574 50 40 JKGB Cc1ccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccco2)cc1 409017392 WFUODAUFGPJFJY-HURKKGOSSA-N 494.503 5.190 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 409199315 BYQVMNLFXXQKHX-WKULSOCRSA-N 495.431 6.968 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)c(C)c1 409257252 RSPQESKEFCYVFC-HZHRSRAPSA-N 453.542 5.483 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1Cl 409310065 PSYJEELNTUVPII-BKUYFWCQSA-N 460.360 7.798 50 40 JKGB N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@@H]1c1cc(Br)cs1 713279 HVFSDRHESVNBMQ-SFHVURJKSA-N 460.784 5.469 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21)c1ccccc1 2197021 XHGHOKCXDAEWRP-MBSKJGAKSA-N 489.362 5.296 50 40 JKGB O=C(Cn1cc(/C=N/NC(=O)c2cccc3ccccc23)c2ccccc21)Nc1ccc(F)cc1 2302037 HZGDYIQILFAGEA-OKCVXOCRSA-N 464.500 5.336 50 40 JKGB C[C@@H]1c2c(-c3ccccc3)oc(-c3ccccc3)c2[C@@H](C)[C@@H](Br)[C@H]1Br 5160043 BGSVBYYZBVGWBJ-FQZPYLGXSA-N 460.209 7.361 50 40 JKGB CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 6135658 WCTINSGCLUIQTL-ZCTHSVRISA-N 468.601 6.246 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(-c3cccc4c3C(=O)c3ccccc3C4=O)o2)cc1OC 8722083 DUWBSGVVRGKOIN-NBVRZTHBSA-N 461.473 5.803 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3Cl)CC(=O)N2)c1C 9011953 FUHFHPMEPVUZIV-MRXNPFEDSA-N 460.386 5.321 50 40 JKGB CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)c(C(=O)OCC)c1C 9424564 BRKGZLYSFZKLME-ATVHPVEESA-N 495.626 6.127 50 40 JKGB CSc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1 13688941 HHIWYUNUTKECII-WGOQTCKBSA-N 479.675 5.723 50 40 JKGB COC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1cccn1Cc1ccc(Cl)cc1Cl 20220949 IWTJJLYAFASHGQ-NTEUORMPSA-N 460.342 5.237 50 40 JKGB Cc1ccc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3cc(C)cc(C)c3)c2C)cc1 20243633 JMKBBZNAPIHBKF-UVHMKAGCSA-N 498.490 6.165 50 40 JKGB Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)c2cc3ccccc3cc2O)c1C 20243893 PQZXSFZOZVOCOS-MZJWZYIUSA-N 476.374 5.788 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 20764171 NJRSGDILBPYEAA-CCVNUDIWSA-N 466.368 6.159 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)c(C)n1-c1ccc(Cl)cc1Cl 28216028 YUNFCJKSXHSGJM-KBKYJPHKSA-N 480.848 6.438 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3cc(Br)ccc3OCc3ccc(Cl)cc3)[nH]c2cc1C 33562297 GCTMKFGEQQYCQE-YBFXNURJSA-N 492.804 7.239 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccc(Cl)cc1Cl 33958077 QKMCUOWWCWEJHD-MUFRIFMGSA-N 494.378 6.136 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c1 36076643 MPSWQOHVAZQEED-XDHOZWIPSA-N 495.348 6.112 50 40 JKGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1 59101872 XRWYHACRLJYEEO-MZJWZYIUSA-N 486.355 5.060 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)cc1 59116878 ZPSZJEADQIRQQA-PDGQHHTCSA-N 467.750 6.227 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(Cl)c1 59117128 UNSWFBNMDCYHKV-XNTDXEJSSA-N 471.727 6.412 50 40 JKGB CN(C)C(=O)/C(C#N)=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 59333645 HRBHHRLSPUJKIV-HAVVHWLPSA-N 462.509 5.715 50 40 JKGB N#C/C(=C/c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 59336100 KQICXVASLINWCR-UNOMPAQXSA-N 471.347 6.414 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59678638 AWOPFFDHWHBTFG-MFOYZWKCSA-N 455.739 6.272 50 40 JKGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Cl 108073864 LBMVBXZPLLITQX-UYRXBGFRSA-N 475.932 5.220 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 108975788 XBPDNRAONFAQON-JAIQZWGSSA-N 487.943 6.265 50 40 JKGB O=C(N/N=C/[C@@H]1C[C@H]2C[C@H]1[C@@H]1[C@@H]2[C@H]2C[C@H]1[C@]1(F)C(F)(F)C(F)(F)[C@]21F)c1ccc(Cl)cc1 257346783 MQLAXXGENLFXSE-DSUFLJJRSA-N 476.848 5.295 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@H]2C 260562684 BFIJPGNTYQMFRP-FIJRTHIRSA-N 451.618 6.504 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1ccc(Cl)c(Cl)c1 408585155 BPULMOUUPCWGLZ-GHXNOFRVSA-N 464.102 6.988 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2Br)cc1 408741136 GWJOLRSYKDZGOV-ODLFYWEKSA-N 481.777 6.536 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1ccc(Br)cc1 408745574 STDCJNBDRUBXCO-AQTBWJFISA-N 474.333 6.137 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(C)cc1 408795599 LTYVXADJSPQUQY-LPYMAVHISA-N 460.961 6.480 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OCC 408798885 XLNBOSXBPAWJJL-LZYBPNLTSA-N 477.344 5.188 50 40 JKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 408811002 JWFZWBWJLWUVQQ-LYBHJNIJSA-N 462.549 6.753 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1Cc1cccc(F)c1 408879602 BYPPEVPISJENHH-QGMBQPNBSA-N 469.343 6.586 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 408881548 NWKFUPDGAAPWOJ-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2ccccc2OCc2ccccc2C#N)ccc1Br 408904309 HSWQZKSKYNCWMJ-WGARJPEWSA-N 463.335 5.364 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 408922709 GDCKTBRKDAEXBG-CXUHLZMHSA-N 471.727 6.412 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2n1Cc1ccccc1 408954742 SJNJJLIBNHLQKF-ULJHMMPZSA-N 458.565 5.745 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(Cl)c(Cl)c1 408956593 XRWUZJXKYZHQRC-UDWIEESQSA-N 477.395 6.148 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Cl)c1OCc1ccccc1Cl 409051097 IUFRRULMZHEVCS-KKMKTNMSSA-N 477.775 6.307 50 40 JKGB CCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OCC 409309832 NANPPFPOAUKPRH-VEILYXNESA-N 462.546 5.226 50 40 JKGB COC(=O)[C@H](C)c1ccc([C@H](Br)CC(C)(C)C)c(-c2ccc(C(F)(F)F)cc2)c1 575362709 OSHXFLPIIDVOTF-JLTOFOAXSA-N 471.357 7.521 50 40 JKGB CCOc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 2283870 DWMHKMSRGZDJCB-QINSGFPZSA-N 494.370 6.054 50 40 JKGB N#CC1=C(SCc2ccc(Cl)cc2)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1Cl 2327846 YPQUVIHTCAVRIW-HXUWFJFHSA-N 475.828 7.009 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc(Br)ccc1OCc1cccc(F)c1 2743615 IIHCERDXHHCBOA-JOCHJYFZSA-N 497.364 5.618 50 40 JKGB CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 3206189 TULVSRGEWHERKR-LICLKQGHSA-N 470.425 6.884 50 40 JKGB CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c21 8569389 AVROTMMVRRADJC-XMMPIXPASA-N 464.525 5.273 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c1 8811204 KUYODXPPRKWYAT-LQKURTRISA-N 485.496 5.108 50 40 JKGB CCCOc1c(Cl)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OCC 8812923 NMIQATIAEQOIIS-FSJBWODESA-N 469.763 5.063 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1cc(Cl)ccc1O 9291037 PASBRVDWDUCHKS-JOCHJYFZSA-N 470.916 5.233 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)[C@H]1C[C@@H]1c1ccccc1 9309662 NAXVUQMMOCWNTM-QMLCIRGISA-N 462.380 6.250 50 40 JKGB Cn1c(/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)nc2ccccc21 9613428 LOFKVLBCRWYXFH-HMMYKYKNSA-N 469.504 5.597 50 40 JKGB CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCOC)cc1 16805154 GOWMXLFFGLTDBN-FCDQGJHFSA-N 472.589 5.168 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1ccc(F)cc1 28216907 SNBVOZYCMSAECI-STBIYBPSSA-N 457.574 6.289 50 40 JKGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccccc2Cl)c1 33736342 WLUUXYCXLANHGK-LGJNPRDNSA-N 456.329 5.295 50 40 JKGB Cc1cccc2c(-c3ccccc3)c(-c3ccccc3)n(CCC(=O)N/N=C/c3ccccc3)c12 39983663 UBVFKSUSFZIKCM-WEMUVCOSSA-N 457.577 6.824 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Br 59432907 QKZHAQNVUASNDK-OQLLNIDSSA-N 476.168 5.631 50 40 JKGB N#C/C(=C\Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 100843773 YAHIVVZFLPLSCS-FMIVXFBMSA-N 450.829 6.367 50 40 JKGB COc1cc(/C=N\c2cc(Cl)ccc2-n2ccnc2)ccc1N(CCCl)CCCl 104132838 MHIXMKSESUHZLW-WGARJPEWSA-N 451.785 5.569 50 40 JKGB CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)cc1 252486810 HOXOLAJYGAMPBF-LFIBNONCSA-N 480.318 6.286 50 40 JKGB Cc1ccc(Cn2cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)c3ccccc32)cc1 408555247 WOGLUSROSIYQMV-KGENOOAVSA-N 476.605 6.356 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccccc1OCc1ccccc1F 408567001 CDKBFDGKZVDIIC-JFLMPSFJSA-N 482.602 5.412 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccccc1Cl 408567693 GCGZKHGDORGRFE-VULFUBBASA-N 486.062 5.755 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccccc3)cc2Br)cc1 408745679 OESKATCHJZOKCM-UNOMPAQXSA-N 493.357 5.591 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)cc1 408746857 WVTQWBHPBFZMLM-IWIPYMOSSA-N 464.521 5.982 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1)Nc1ccc(Cl)cc1 408761545 FUSWLANSKDYAHT-RPPGKUMJSA-N 476.747 5.428 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C)c(C)c2)c1 408801877 WHIWVHAMMYFDON-LPYMAVHISA-N 475.386 6.499 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OCc2ccc(Cl)c(Cl)c2)c1 408811837 LZPOIDRKJMWDFC-LICLKQGHSA-N 498.322 6.035 50 40 JKGB O=C(N/N=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)c1cc2cc([N+](=O)[O-])ccc2o1 408904329 HYWQATITWQJIJA-FDVSRXAVSA-N 499.910 6.491 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)o1 408921857 COMNNPKPSQJIMO-FMIVXFBMSA-N 458.257 5.716 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Cl)cc1Cl 409273107 VKYXDAZAEARXQF-PPDIBHTLSA-N 490.774 5.737 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c2ccccc2n1Cc1ccc(Br)cc1 409374886 AYOHWCBPESUXLD-RGEXLXHISA-N 486.369 6.012 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409391985 MIONQXGYDBJAFO-BKUYFWCQSA-N 496.523 5.860 50 40 JKGB COc1ccc2c(Cl)c(C(=O)NNC(=O)c3ccc(NC(=O)C4CCCCC4)cc3)sc2c1 674920 VOLJVYOSRMTIBA-UHFFFAOYSA-N 485.993 5.157 50 40 JKGB COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3ccccc3C(F)(F)F)ccc2OC)cc1 1438765 LGZRUCOYLJJFBO-QGOAFFKASA-N 496.441 5.487 50 40 JKGB CCOc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OCC 2162188 WICRSKRUNOJTHD-UVHMKAGCSA-N 492.523 5.396 50 40 JKGB CCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 2219671 JMBLBEHRINBHRG-IEQIIXMPSA-N 467.594 5.622 50 40 JKGB COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc4ncccc34)cc2)cc1 2632873 KDAREMLPILFYBC-CJLVFECKSA-N 463.493 5.146 50 40 JKGB CN(C)C1=C(C#N)[C@@H](CC(=O)c2ccccc2)c2c(c3ccccc3n2C)N1c1ccc([N+](=O)[O-])cc1 9008900 VOANTYVFHZVOAE-HSZRJFAPSA-N 491.551 5.892 50 40 JKGB Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4s3)c(Oc3ccc(Cl)cc3)nc12 9158595 QFGJAIKDDOFUDB-DTQAZKPQSA-N 470.941 6.123 50 40 JKGB COc1cc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)ccc1I 9322160 WRLGRHUIWPPBMG-AFUMVMLFSA-N 480.305 5.370 50 40 JKGB CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCc3ccccc3)N(c3ccccc3)C2=O)cc1 12273766 FEQOLZOWRZRLTK-DBJYNHDPSA-N 495.648 5.772 50 40 JKGB O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(CCl)cc1 12531109 MZYBOWOIIKQSBP-UHFFFAOYSA-N 469.777 5.785 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2c(C)n(Cc3ccccc3F)c3ccccc23)cc1 16249821 ORZMRFFXUARAJG-JCMHNJIXSA-N 453.517 5.369 50 40 JKGB O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1c(F)cccc1F 18032358 CWOFDQYOBCSYRC-VFLNYLIXSA-N 462.374 5.208 50 40 JKGB CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)CCSS(C)(=O)=O)cc1)c1ccccc1 22056420 ZYKOLRQKLGUPAC-DQSJHHFOSA-N 495.710 6.059 50 40 JKGB in-vitro N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 33716624 PQHGABLVMHJQBA-JJFYIABZSA-N 475.331 7.698 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccccc1 34721962 CSFXLAKPFGTGDS-MTJSOVHGSA-N 477.358 5.260 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 34806649 CRVGDKVZIJPFJF-DHRITJCHSA-N 465.918 5.806 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1cccc2ccccc12 59419130 ALRIOIOSYNFTNN-MUFRIFMGSA-N 488.927 5.250 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccccc1F 59921050 VPEPMVFOQYZSGA-MZJWZYIUSA-N 472.969 5.699 50 40 JKGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C)cc3)C3=C(O)CCCC3=N2)cc1 102588834 SAZHAFPXQGUJQR-RUZDIDTESA-N 457.599 6.199 50 40 JKGB C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)c1nc3cc(Cl)c(Cl)cc3nc12 103018143 KTPUHCVQFOHYGP-CYACUBOYSA-N 465.016 5.862 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1ccc(Br)cc1 169881193 JTEVQVKITAPXIG-MFKUBSTISA-N 453.336 5.191 50 40 JKGB Cc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2cccc3ccccc23)cc1 209491897 LBADJQPFECLDGK-BUVRLJJBSA-N 454.367 7.554 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)c2C)c(C)c1 408549863 ALIAFVXYHDJLTH-FYJGNVAPSA-N 454.599 6.069 50 40 JKGB CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)ccc1OCc1cccc2ccccc12 408691680 LJAGKKZJWAJSGB-KQWNVCNZSA-N 459.549 6.774 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1Oc1c(F)c(F)c(F)c(F)c1F 408735915 YKDJSIXCHYRVAW-XYOKQWHBSA-N 457.358 6.123 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 408743498 AQUSJAOYSBMCIN-SZXQPVLSSA-N 495.582 7.366 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 408743518 ASYAWOMYNOYODM-MFOYZWKCSA-N 471.315 6.266 50 40 JKGB COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Br 408745978 PRWLVLSQVZSZGQ-QPEQYQDCSA-N 450.130 5.074 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)Nc1ccc(Cl)cc1 408746833 WIUVALPPQALXFZ-BOPFTXTBSA-N 485.740 6.366 50 40 JKGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1OC 408747703 RRZXLWPPBHQQGA-ZROIWOOFSA-N 492.167 5.331 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccccc1C#N 408792989 CNCNNLSUISNATD-YDZHTSKRSA-N 494.507 5.328 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1I 408796584 PJTWSFDULNPSDQ-GXDHUFHOSA-N 464.690 5.055 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408796806 PHUPOSKRXLKTBK-DEDYPNTBSA-N 451.353 6.680 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(C)cc1 408798080 UFJBZAWOGTVEHV-VXLYETTFSA-N 477.904 5.690 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C)c2)c(OC)c1 408801668 VDXLZQVDIUCIIH-UDWIEESQSA-N 462.933 5.790 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OCc2ccc([N+](=O)[O-])cc2)c1 408804054 VIQNNYKTNTWVRI-FYJGNVAPSA-N 457.486 5.345 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 408810578 UEANMTVKDCKDIC-FYJGNVAPSA-N 497.938 6.835 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)c(OC)c1 408872212 BEFAQEUSEDCDKR-FYJGNVAPSA-N 485.971 5.584 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br 408881517 MQJMRZSENKYJRN-NTEUORMPSA-N 451.242 5.578 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCC 408982406 GWJDSDCXUDDJKN-NVNXTCNLSA-N 463.759 5.754 50 40 JKGB O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccco1 408998111 SYZYPUCPEOZHIH-CEUNXORHSA-N 476.492 6.076 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409007871 QXFMCVJJXPYSJP-CPNJWEJPSA-N 475.932 5.220 50 40 JKGB O=C(N/N=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1cc2cc(Cl)ccc2o1 409023956 OGNPRRAYSGEZGK-FDVSRXAVSA-N 499.910 6.491 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2Cl)cc1 409046008 HUSPJYSREYWUGY-MHWRWJLKSA-N 484.364 6.010 50 40 JKGB COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccccc3Cl)cc2)C2=C1CC(C)(C)CC2=O 409130233 KWJKFZFREMQRQM-RUZDIDTESA-N 492.019 5.302 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409189868 JPMRBJQKKSRUFG-BRJLIKDPSA-N 474.300 5.253 50 40 JKGB COc1cccc2c(Nc3ccc4[nH]c(C(=O)N/N=C/c5ccc(SC)cc5)cc4c3)cc(C)nc12 1887435015 ZDSQJUKYFCIYLG-MUFRIFMGSA-N 495.608 6.263 50 40 JKGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(=O)OC)=C(C)N2)cc1 1297880 BJXJMCMHQUNFLW-QHCPKHFHSA-N 482.005 5.143 50 40 JKGB C[C@H](Br)[C@H](OC(=O)c1cccc2ccccc12)c1cc2c(cc1Br)OCO2 1614631 GEJXKMLDJJULNO-YUNKPMOVSA-N 492.163 6.013 50 40 JKGB Cc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3c4ccccc4cc4ccccc34)s2)cc1 1958280 NJFDXQJUYBDSFW-LQKURTRISA-N 479.565 5.098 50 40 JKGB CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)c(C(=O)OCC)c1C 2388081 KRXJEICRXZUHJP-PTNGSMBKSA-N 485.562 5.649 50 40 JKGB CCCCCOc1ccccc1/C=N/NC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1 3658813 MVPQFYVCPOCPAH-MTDXEUNCSA-N 450.966 6.252 50 40 JKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(I)cc1 10118510 GLRLDCCJASCJMD-ZVHZXABRSA-N 450.279 5.362 50 40 JKGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)cc1 12590340 FGXVNWBTDRRLFJ-LDADJPATSA-N 463.877 5.381 50 40 JKGB CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 12621471 DOJMTRBBKWJDQT-CJLVFECKSA-N 459.553 6.515 50 40 JKGB N#CC1=C(O)O[C@](O)(c2ccccc2)[C@@H]([n+]2cccc3ccccc32)[C@H]1c1ccc(Cl)c(Cl)c1 16034553 QAXHYFWAAMTCNE-OHSXHVKISA-O 490.366 5.928 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)cc1C 16735402 RIXWXZYQAKYKSH-HEHNFIMWSA-N 492.579 5.947 50 40 JKGB CCCOc1ccc([C@@H]2[C@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 19851743 KRSXPVNJGBGZTK-QYXIYQDXSA-N 458.606 5.740 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1 20195220 WYVJDYMTGJNWAO-LQKURTRISA-N 450.966 5.627 50 40 JKGB CC(C)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)NC3=C2C(=O)CCC3)cc1 20347670 OYSCKHCOOUKOEF-RUZDIDTESA-N 475.589 5.750 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccc(Cl)cc1Cl 33634734 WQLLVWUGIVEENS-UVHMKAGCSA-N 486.355 5.303 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 33739426 MZFZZAABLLCYNE-KBKYJPHKSA-N 490.412 5.803 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2F)c(I)c1)c1ccccc1F 33744760 HOJPDUUDWXQLAV-BOPFTXTBSA-N 473.260 6.213 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccccc1F 59921158 RQFVXUBMMHXLRR-LGJNPRDNSA-N 458.942 5.309 50 40 JKGB CCOc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)CCl)[C@H]3c2ccc(OCC)cc2)cc1 96400886 KOZISSCPCOFRQW-WAXAOOOASA-N 452.982 5.846 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(Br)cc1 207154804 ZDNRXXCKHPARAO-HMAPJEAMSA-N 491.385 5.650 50 40 JKGB CCCCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 408539134 UBDMRKYJBHSZEB-SFQUDFHCSA-N 495.339 6.973 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c(C)n1-c1ccccc1Br 408592067 XJIDJOKLQZLJJS-JVWAILMASA-N 466.423 5.847 50 40 JKGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1)c1ccc(C(C)(C)C)cc1 408728069 HRBQVAFKKGYVKF-ZTKZIYFRSA-N 495.620 5.167 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1 408743802 BSZKXZZKSCTREJ-KQWNVCNZSA-N 461.952 7.042 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 408743842 VRHCEAKHTYXZNM-KEBDBYFISA-N 470.374 5.865 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(F)cc1 408768121 BZNNTROLLQFIHS-ODLFYWEKSA-N 457.343 5.327 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OCc2c(C)ccc3ccccc23)c1 408803084 LDLYYYPGEXOTGE-PCLIKHOPSA-N 476.576 6.898 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12 408808076 DSIDFQIAWSTITD-CJLVFECKSA-N 463.493 6.181 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 408832503 XDDPODCRXRMDTJ-VFCFBJKWSA-N 498.048 5.395 50 40 JKGB N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 408865968 CXGAHZDRSBIMKF-VCHYOVAHSA-N 458.842 6.634 50 40 JKGB Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1 408867388 KQGSJQPXCZNOSX-ZVHZXABRSA-N 473.414 6.819 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2F)c(C)c1 408872475 FDEKWDXRXITCAV-FYJGNVAPSA-N 463.350 6.342 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1Cc1cc(C)cc(C)c1 408881150 IFQKEUUVEXLQKX-ZMOGYAJESA-N 458.989 6.800 50 40 JKGB N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)Nc1ccc(I)cc1 408892517 BURFGYHOGZVVRR-NBVRZTHBSA-N 474.301 6.143 50 40 JKGB CC[C@@H](C)Oc1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1Br 408905348 XQCOSHJWYACFNH-MYSNOUKZSA-N 483.204 5.853 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2cccc3ccccc23)c(C)n1-c1sc2c(c1C#N)CCCC2 408992782 BVWGDACPBJPHKC-OKCVXOCRSA-N 482.609 5.588 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409089198 HXTIWTUWTLCLTE-XNTDXEJSSA-N 494.847 5.503 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)c(C)c1 409224379 JRHRNYUONRWOEK-XDHOZWIPSA-N 494.378 6.173 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccccc1F 409231004 ARYRYYJAKXTIQL-WKIKZPBSSA-N 489.316 5.008 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 409255584 MFSNVIMBTBIRAI-RGVLZGJSSA-N 491.931 5.955 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1cc(C)ccc1C 409255947 MNURTDJYBAKDHD-HMAPJEAMSA-N 469.541 5.184 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccccc3Cl)c2)cc1 409262913 JLOKIXDFALYBTL-XMHGGMMESA-N 475.932 5.302 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(I)cc1 409371157 GNNKJKGBAOUIGD-LCYFTJDESA-N 476.657 6.177 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(OC)c3)[nH]c2c1 409393536 YEGUBGNBMHJQEG-MFOYZWKCSA-N 463.896 6.016 50 40 JKGB COC(=O)c1ccc(C(=O)OC)c(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 1830574 XLPKVWCPRDQSHD-GXDHUFHOSA-N 488.352 5.667 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 2774013 RRLMVRNOYFIJFR-DHRITJCHSA-N 468.003 5.771 50 40 JKGB O=C(N/N=C/c1cccc2ccccc12)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 3176346 HWVZHJSTBQWDKX-YFJQOWMZSA-N 465.578 5.378 50 40 JKGB O=P(O[C@H](c1ccccc1)C(Cl)(Cl)C(F)(F)F)(c1ccccc1)c1ccccc1 3177022 HFACVJPUIZAHIO-LJQANCHMSA-N 459.231 6.410 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)cc1Cl 8738743 GMIYLBNUHRIZDS-PGMHBOJBSA-N 493.998 6.932 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(F)cc1 8812071 CDHKKFATIPIAJY-BRJLIKDPSA-N 461.718 5.585 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1I 9263121 YFIJDGATMNOZFC-KPKJPENVSA-N 487.124 5.542 50 40 JKGB CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCc5ccccc5)cc4)c32)cc1 9292584 MYILWLNEJMQHLX-XMMPIXPASA-N 464.525 5.273 50 40 JKGB CN(C)c1ccc(/C=C(\C#N)C(=O)c2ccc(-n3nncc3C34CC5CC(CC(C5)C3)C4)cc2)cc1 12524592 FEKCAMCFCVBROT-AFUMVMLFSA-N 477.612 5.591 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)cc1 16292979 RLADPOFLKPVOCX-UQQQWYQISA-N 479.555 6.666 50 40 JKGB Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 28213606 FPMNTTCZVKUYJD-MZJWZYIUSA-N 482.005 5.049 50 40 JKGB CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)ccc1OCc1ccc([N+](=O)[O-])cc1 107920596 XMYFGCYKAPXSMZ-DEDYPNTBSA-N 489.578 6.839 50 40 JKGB Cc1ccc(COc2ccc(/C=C(/C#N)c3ccccc3F)cc2I)cc1 108984371 KMGXUSAVQWJXPA-UNOMPAQXSA-N 469.297 6.382 50 40 JKGB C[Si](C)(C)OC(=O)CC[P@@](=O)(CC=C(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C 195811914 SXUOSBWKNXKNHG-VWLOTQADSA-N 498.854 6.429 50 40 JKGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc21 208471828 LQGRVYNKWAQWMU-PXNMLYILSA-N 470.798 6.280 50 40 JKGB CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCC 408538885 QXUOWYXXIYZFDZ-LTGZKZEYSA-N 499.449 7.133 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C(C)C)c(OC)cc2C)c(C#N)c1C 408546910 OSABMJRNJPOFMW-GIJQJNRQSA-N 450.560 5.264 50 40 JKGB O=C(NNc1cccc(OCc2ccc(Cl)cc2Cl)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408613255 ZWSHIELIAQIWDP-INIZCTEOSA-N 488.346 5.208 50 40 JKGB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)c2C)cc1 408735317 QMZYIULLZFONKL-PXLXIMEGSA-N 475.976 6.250 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc(Br)cc1 408737746 GGMGNKYNCPOZHZ-UNOMPAQXSA-N 469.176 6.855 50 40 JKGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2cc(Br)ccc2O)cc(C(C)(C)C)c1O 408761340 IPMWKHVWPBWZEC-VULFUBBASA-N 475.427 5.538 50 40 JKGB CCOc1ccc(/C(C)=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 408779337 CYLGVYVDTHKMOQ-SAMCCOJGSA-N 473.598 5.014 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(OCc2cccc([N+](=O)[O-])c2)c1 408801766 VQEBSMMRWFIDHD-YBFXNURJSA-N 477.904 5.690 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 408805119 FARAPHDRSZQOFB-VCHYOVAHSA-N 483.351 6.135 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc2ccccc2c1 408850710 CUZSAGIZKWTIRQ-LJUMEUDFSA-N 498.966 6.981 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1cc(Cl)ccc1Cl 408855063 CYVJBUWKOYJHHS-NDENLUEZSA-N 477.395 6.148 50 40 JKGB CC(C)c1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccccc2)cc1 408859802 QMQWDZMLPKGWFV-UHFFFAOYSA-N 483.678 5.714 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OC(=O)c1ccccc1 408881470 LHOSHDNMIYLJAU-XSFVSMFZSA-N 460.917 5.812 50 40 JKGB COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)ccc2OC)cc1 408890851 HKQCWICBRHNEOD-LDADJPATSA-N 462.889 5.122 50 40 JKGB C#CCOc1c(CC=C)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1OCC 408905568 ZIKXLJGJSMDDRG-MYYYXRDXSA-N 470.367 5.052 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408924165 LRHZPVICPRQHPO-LFIBNONCSA-N 482.279 5.666 50 40 JKGB O=C(N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 408924925 PPAJDEGDGHHMAB-UXHLAJHPSA-N 475.504 6.244 50 40 JKGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)c1 408995982 CIMXXZSAQIJDEC-LJUMEUDFSA-N 495.652 6.078 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1 408999016 JTJJYDQHHGYJQH-LJUMEUDFSA-N 495.652 6.078 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)c2)cc1C 409006976 LYOLKAJBIZAEJZ-UCQKPKSFSA-N 453.542 5.483 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409046317 JYIRMFRNNBLSDA-XDHOZWIPSA-N 487.943 6.270 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1OCc1ccc(F)cc1 409065040 KOXDKFPCLQYQOL-PXLXIMEGSA-N 472.516 5.783 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409232325 QBGLJTAZJRCLDG-WYRWUVFZSA-N 497.551 5.695 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 409242684 SGDRPIIQSFHMRU-OJSPLJLUSA-N 451.353 6.357 50 40 JKGB Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 409363660 VGNGDXBNEAGXIZ-WGARJPEWSA-N 471.782 5.683 50 40 JKGB COC(=O)c1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c3ccccc32)o1 409392784 NQBLVGWHGGESPW-GDNBJRDFSA-N 494.334 5.922 50 40 JKGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 989345 GWIUHGHLKUMMKD-JOCHJYFZSA-N 456.885 5.244 50 40 JKGB N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 1790642 FVDFSJBWUVLYMJ-CKVBZJJFSA-N 494.403 6.058 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 2327801 KXHNNCGBUBEXGJ-YDYXIROLSA-N 489.984 5.414 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 4083866 WMQPFDLXXWCEJE-HNSNBQBZSA-N 491.635 7.072 50 40 JKGB CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 8918898 SKJBBFNOQZMMIH-YSFSTTGISA-N 484.600 5.166 50 40 JKGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OCCC)c(OCC)c2)C(C#N)=C(N)O3)cc1 9411673 JBRIREUCLVJXBO-HSZRJFAPSA-N 474.561 5.271 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)n2C2CCCCC2)cc1 9428314 CQRCHUCNUAQAKI-OGLMXYFKSA-N 475.662 6.125 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccc(Cl)cc1Cl 9428703 CAKIMGSZZYWIEX-UUYOSTAYSA-N 483.471 5.770 50 40 JKGB COc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1COc1cccc(C)c1C 12628489 SGJMRHBLPNFMGN-CCVNUDIWSA-N 479.001 6.523 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 12629650 PDKIRUJCOGNGMW-SFQUDFHCSA-N 474.429 5.240 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCc3ccc(C)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC 13300212 UZFQKKQAYFLHBM-RUZDIDTESA-N 474.626 6.011 50 40 JKGB CCc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2OC)cc1 13942841 QHTHXTYKIVJNTP-XSFVSMFZSA-N 452.514 5.216 50 40 JKGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 33731520 MGWHFYVCLUQDDN-VULFUBBASA-N 480.362 5.059 50 40 JKGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cccc2ccccc12 59157309 QDQOKBAXFSVIPD-MFKUBSTISA-N 456.414 5.212 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 59292080 UJUFALJATCPUNI-CIAFOILYSA-N 495.406 7.134 50 40 JKGB O=C(OOC(=O)[C@H]1CC2c3ccccc3C1c1ccccc12)[C@H]1CC2c3ccccc3C1c1ccccc12 104251467 QCTDIGVPRFGRLR-PSFWQVKUSA-N 498.578 6.582 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)c1ccc(Cl)cc1Cl 408581098 UKSRUSQRXCGUNC-OQLLNIDSSA-N 492.189 7.382 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1ccccc1 408582315 MWFYHPGRGHQVPD-KGENOOAVSA-N 458.514 5.184 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Br)cc1 408734156 DXFGAFICDFIKAS-CPNJWEJPSA-N 481.777 6.536 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1cccc(F)c1 408745611 UEPWMXICQWKDQO-GRSHGNNSSA-N 450.897 5.921 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Br)c1 408745865 VZIHTIJIDQLDGF-JAIQZWGSSA-N 495.804 6.844 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)Nc1ccccc1Cl 408799254 KALXRFMTYMQLHB-HMMYKYKNSA-N 473.359 7.271 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408854924 BELGCWVJNCSZLZ-GXHLCREISA-N 465.303 5.317 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1 408875146 DLDSOABJQZGKMS-LDADJPATSA-N 486.196 6.892 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2cccc(F)c2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408880301 JCZURWXBVSQEKG-CXUHLZMHSA-N 465.824 5.152 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)ccc1Br 408904487 KGOUQDDZZAQQDV-YVNNLAQVSA-N 477.702 5.735 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1C 408923836 KNJAHXMVCGQZFV-RGVLZGJSSA-N 481.379 6.825 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccccc3s2)o1)c1ccccc1 408987117 ALCVSMZPZILSNF-KWXFCVSUSA-N 494.598 5.368 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 409045080 FHWQKWQSNAFANN-FRKPEAEDSA-N 494.161 7.852 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409045870 JGLDECVYSAAROB-KBKYJPHKSA-N 479.747 5.704 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1cccc(Cl)c1 409122613 AFQRELSCLXGXJE-QHCPKHFHSA-N 450.922 5.132 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)c1C 409262073 DSYXODVTVJPZQE-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)ccc1OC 409319858 MRZSBWQDXWXBOT-VYYCAZPPSA-N 456.901 5.229 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)c2ccc(I)cc2)o1 409368688 HXFDDMYHSUEIOU-UVTDQMKNSA-N 472.238 5.532 50 40 JKGB O=C(N/N=C/c1ccccc1Cl)c1[nH]c2ccc(Br)cc2c1-c1ccccc1 1782236 UGBITCZJVFUONY-DHRITJCHSA-N 452.739 6.015 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 1790586 SMWCKOIIQANTRS-NLTRVXJZSA-N 488.012 6.022 50 40 JKGB CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1 8917143 KDSZZUILACQLFN-SANMLTNESA-N 454.526 5.693 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OCc1ccccc1 16439510 NHAPESUHXGDMEA-LDADJPATSA-N 453.325 6.127 50 40 JKGB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)cc2F)=C(C#N)[C@H]1c1cccs1 19853473 MOLCQXXDZAWGQX-FQEVSTJZSA-N 491.997 5.172 50 40 JKGB Cc1cc(C)c(OCC(=O)N/N=C\c2c3ccccc3cc3ccccc23)c(Br)c1 20100961 MGGAEKHXULHWPI-VYYCAZPPSA-N 461.359 5.901 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)c(C)n1-c1cccc(Br)c1 28216438 JGTNGKDZHAZXKJ-ZZQPOVDQSA-N 456.409 5.488 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(Cl)c2)c1 34860478 XPMHCRBZYCSJCQ-NDENLUEZSA-N 451.353 6.735 50 40 JKGB C/C(=N\NC(=O)CSCc1cccc(Cl)c1)c1cccc(NC(=O)c2ccccc2)c1 59473320 BHKUUAJBQIEGRO-WPWMEQJKSA-N 451.979 5.366 50 40 JKGB O=C(N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cc(Br)ccc1O 83326952 FYIZZXKTJODABA-VROXFSQNSA-N 453.214 5.197 50 40 JKGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N=C2CCCC(O)=C21 104115917 PPNIWHQYAMQLNH-AREMUKBSSA-N 487.625 6.343 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@@H](Nc1ccccc1Cl)c1ccccc1Cl 104807986 KCCICCNXOFTXBG-RUZDIDTESA-N 452.321 7.118 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 106381983 HUFKAPFPPAYFOE-JMIUGGIZSA-N 478.888 5.988 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1cccc(C)c1 108230728 LKLUDROOBYOETP-NDENLUEZSA-N 466.350 6.939 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cccc(Br)c1 108231265 RNBSZSUGFUSPMQ-MDWZMJQESA-N 462.130 6.562 50 40 JKGB O=C(N/N=C/[C@@H]1C[C@H]2C[C@H]1[C@@H]1[C@@H]2[C@H]2C[C@H]1[C@@]1(F)C(F)(F)C(F)(F)[C@@]21F)c1ccc(Cl)cc1 257346784 MQLAXXGENLFXSE-ODBJOEIXSA-N 476.848 5.295 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408544021 UITGAGAGGPLXAN-JMIUGGIZSA-N 463.873 5.388 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1 408582388 NPDKAVJKNYPQPG-LDADJPATSA-N 453.325 6.084 50 40 JKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 408600495 ZZUPLXPOZSDQGD-FJEPWZHXSA-N 478.423 7.058 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1cccc(C)c1 408734489 GYUNMLXKLHJCDM-LPYMAVHISA-N 460.961 6.480 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccccc1F 408743976 IWNBVRCGXZQNRT-ODLFYWEKSA-N 495.348 6.030 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)cc1 408745916 WKPUGTURIKJTLI-STZFKDTASA-N 487.512 5.517 50 40 JKGB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1C 408760442 YSEJEOZNNUJTLM-GRSHGNNSSA-N 478.346 5.409 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)c1 408799455 ZIYWMWTVDIRVCR-GIJQJNRQSA-N 482.323 6.335 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1)c1cc2ccccc2o1 408854353 CZYLZUICDAHRHL-ZRGSRPPYSA-N 493.313 5.267 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2cccc(F)c2)cc1 408875315 JIGMCRORBXDFFB-XSFVSMFZSA-N 479.349 6.123 50 40 JKGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1c(C)n(Cc2cccc(C)c2)c2ccccc12 408906098 ALKBPXWWBRHUIV-IFSBUVSJSA-N 496.611 5.114 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1C 408937180 MYKCLLZIRPANJZ-JAIQZWGSSA-N 451.353 6.735 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)cc1 408991082 MPSZIHFEJHGBSG-SFQUDFHCSA-N 472.551 6.210 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OCc1ccccc1F 409024756 WABHDMLKSVQKEI-MUXKCCDJSA-N 466.896 5.967 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 409041158 IQSLNGISHZNVPZ-LICLKQGHSA-N 468.296 6.026 50 40 JKGB C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 409047693 PVFWPZLHFHLVOB-NTUHNPAUSA-N 496.586 5.975 50 40 JKGB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2Cl)cc1 409222311 CHTOMXDOROMXGW-YBFXNURJSA-N 494.378 6.173 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1 409261852 FJOGVYGNQVKFGP-UYRXBGFRSA-N 475.932 5.220 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1OCC 409309930 OBXDLNWCYWJHTD-NTFVMDSBSA-N 482.964 5.489 50 40 JKGB CCCOc1c(I)cc(/C=C(\C#N)c2cccc3ccccc23)cc1OCC 409313571 CMHPBMDJKOGVQB-CPNJWEJPSA-N 483.349 6.696 50 40 JKGB Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)[C@H](Cl)[C@@H]4Cl)cc2)c(C)c1 801488 URCMITFKECEGNF-YADHBBJMSA-N 489.424 6.238 50 40 JKGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1)N/N=C/c1cccs1 1300283 AUIDUKIATZTRTG-YDZHTSKRSA-N 498.431 5.001 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc(C)c1C 2348805 HBHFQFKILVATPF-NTEUORMPSA-N 499.932 5.909 50 40 JKGB Cc1nc(SCC(=O)C(C#N)=C2Nc3ccccc3N2)c2cc(-c3ccccc3)sc2n1 2651666 KAGYXFGEGPJHCF-UHFFFAOYSA-N 455.568 5.601 50 40 JKGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 3109548 FUQPFTAROQRITN-MUFRIFMGSA-N 475.013 6.456 50 40 JKGB Cc1c(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)c2ccccc2n1Cc1ccccc1 3207956 AFHFCVOLKUWNEK-UZWMFBFFSA-N 473.576 6.194 50 40 JKGB CCOC(=O)c1c(N/N=C(\C#N)c2nc3ccccc3s2)sc(SC#N)c1-c1ccccc1 12561546 QSPKHHRZLNLNCB-JVWAILMASA-N 489.607 6.114 50 40 JKGB COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)cc1OCc1ccccc1 12741217 GVAPXBGHDBVBEL-FYJGNVAPSA-N 484.371 5.375 50 40 JKGB CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 13173876 CMLJHZLQJFKINW-XMMPIXPASA-N 477.561 5.025 50 40 JKGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 15018673 QQBQTBLPGIIFIN-IPPBACCNSA-N 490.346 5.872 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1 33651884 YPSMIOPHQZZDOV-JAIQZWGSSA-N 478.298 5.489 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)c(C)n1-c1ccc(Cl)c(Cl)c1 33958761 QRRCFKMKGDLAHH-UVHMKAGCSA-N 452.341 6.024 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)c(C)c1 34861886 UFYINWCOUHDXEZ-XDHOZWIPSA-N 477.923 5.659 50 40 JKGB CC(=O)Nc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)cc1 35104883 PJNQKVUSAGZRFD-RWPZCVJISA-N 458.949 5.374 50 40 JKGB CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1OC 35128209 BFZRGPUGKPYPNN-UBXTYJAUSA-N 453.970 5.697 50 40 JKGB CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 38680406 WQYDGAINMWKOQO-QHCPKHFHSA-N 478.907 5.704 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccn2)ccc1OCC(=O)N1C[C@]2(C)C[C@H]1CC(C)(C)C2 40161126 KKYLSUGHMCHASF-DKZNIIDDSA-N 459.590 5.350 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Cl)c(Cl)c1 59201875 USWILAIOGBYIAN-CIAFOILYSA-N 495.406 7.134 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1C 59255495 RWVUUGXWNXAVMN-KGENOOAVSA-N 484.397 6.615 50 40 JKGB C=CCOc1cc(Br)c(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OCC 108084431 LEXBFILQIILVSZ-CVKSISIWSA-N 483.362 5.338 50 40 JKGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 108202185 UFGKCVZGWANNIR-KKMKTNMSSA-N 490.774 5.948 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 408790403 PQHQFWLRPQPFIE-YBFXNURJSA-N 481.335 5.905 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2Cl)cc1 408791076 SUABJWMQWIUCJT-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1ccccc1Cl 408811850 RWBKTURZRZJFCM-OUFZILDSSA-N 452.982 5.920 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)o1 408850767 DYZRLYHJJXQOMH-KSEXSDGBSA-N 484.262 5.136 50 40 JKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Br)c1 408866996 IHDCVMKKJKXUJR-SRZZPIQSSA-N 490.357 6.111 50 40 JKGB N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2)c1)C(=O)Nc1cccc(Cl)c1Cl 408886337 JZPQWHUXSRZCMH-FOWTUZBSSA-N 473.337 5.307 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(Cl)c1OCc1cccc2ccccc12 408891981 WTMUPPBVIQOXCQ-OCSSWDANSA-N 488.971 6.243 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)c([N+](=O)[O-])c1 408925822 UATANKKRKFVEGH-CPNJWEJPSA-N 492.329 5.790 50 40 JKGB CCOc1cc(Br)c(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OCC 409016359 HKKMPXSETWSWKT-KSEXSDGBSA-N 465.731 5.410 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1cccc([N+](=O)[O-])c1 409031279 AHDZVXXUCRZMSM-YKQZZPSBSA-N 489.535 5.981 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 409042694 ODCWPJOWDGSDRK-RQZCQDPDSA-N 459.716 7.198 50 40 JKGB O=C(N/N=C/c1ccc(-c2cccc(Br)c2)o1)c1cc(-c2ccccc2)nc2ccccc12 409042876 LBOIGGCAKGILMX-STBIYBPSSA-N 496.364 6.688 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)c1ccc([N+](=O)[O-])cc1 409074137 SCDNZLXMVFNKMP-YBFXNURJSA-N 479.286 5.699 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)NCc1cccs1 409197720 NDRCXAGTJPAPPX-GZTJUZNOSA-N 466.393 6.281 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1OCC 409334724 MTEBNQJDQTXTDG-FSGOGVSDSA-N 490.600 5.924 50 40 JKGB COc1ccc(CC(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1OC 409366295 UAALRHBPNUMBFU-YKQZZPSBSA-N 484.552 5.137 50 40 JKGB O=C(O)c1cc(-c2ccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)o2)ccc1Cl 409391192 HSPSEXQOVZOZNG-LQKURTRISA-N 458.901 5.580 50 40 JKGB Cc1cc(C)c2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)c(-c3ccccc3)c2c1 409397677 MRCPFGADHNODMU-UHFFFAOYSA-N 477.520 6.028 50 40 JKGB O=C(CCSSCCC(=O)Nc1ccc(F)c(Cl)c1)Nc1ccc(F)c(Cl)c1 2142777 JVTHVNZCQCIIMA-UHFFFAOYSA-N 465.374 6.010 50 40 JKGB N#CC(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)=C1Nc2ccccc2N1 3294429 GISVXCXZPYOZSA-UHFFFAOYSA-N 484.972 5.522 50 40 JKGB N#C/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)Nc1ccc(F)c(Cl)c1 3355223 BZWSXWLXTLYHQN-FXBPSFAMSA-N 467.931 7.495 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3cc(C)ccc3C)N(c3ccccc3)C2=O)cc1 12273774 QOHBFJHXUYYQRG-IDJUBOEBSA-N 467.594 5.677 50 40 JKGB Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl 28216232 GMFGYQFIMJNXMX-OPEKNORGSA-N 466.821 6.297 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)NCc1ccc2c(c1)OCO2 59272302 QGSACCHHYSRZLY-DJKKODMXSA-N 481.335 5.524 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 59335642 DAKFSRGHCCDQNX-HMAPJEAMSA-N 477.391 7.155 50 40 JKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C2\CCCc3cc(OC)cc(C)c32)cc1 98002552 IYDLNIUYUFHVNX-KDJFERLWSA-N 464.650 6.994 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCC(=O)NC(C)(C)C)N=C3CC(C)(C)CC(O)=C32)cc1 102605125 PYVKWVUQFMKTRJ-OAQYLSRUSA-N 453.608 5.249 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1ccccc1F 108067100 LWDXTMBMBAYBOK-WQRHYEAKSA-N 452.279 5.930 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c1 252496575 PLYFPSJTDGZBSG-GXDHUFHOSA-N 452.264 5.471 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)cc1Cl 408533220 RTMTYTBAKFERFS-VPUKRXIYSA-N 483.321 5.982 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1ccc(Br)cc1 408579183 DIHBVGLHAMERKW-RQZCQDPDSA-N 477.160 7.538 50 40 JKGB CCCOc1cc(Br)c(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OCC 408580001 MLKINQCIKNGZAM-RIYZIHGNSA-N 455.179 7.008 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)c(Cl)c1 408741312 OZLBERMOESFPGA-MZJWZYIUSA-N 461.905 5.470 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC)c(Br)c2)c1 408743859 CBYNCLHUAPPQHS-ZSOIEALJSA-N 494.183 5.555 50 40 JKGB O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1ccc2ccccc2c1 408753091 HSPYZBPZRHJUIN-JVWAILMASA-N 473.326 5.585 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1C 408803444 OZRZEBQDUUOJFV-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2)c1 408807034 COBLXWIXLWUQLH-XDHOZWIPSA-N 462.933 5.790 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1 408812149 BKTLMXGEFDPGLG-ONUIUJJFSA-N 471.560 6.075 50 40 JKGB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1C 408816618 JWARTBJLDJMITD-ZRGSRPPYSA-N 494.345 5.373 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(C)cc1 408820529 YILQNJPIQHIBGY-QRVIBDJDSA-N 490.987 5.858 50 40 JKGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 408844731 WCLDGDZGJDSYSI-UXHLAJHPSA-N 480.439 6.212 50 40 JKGB O=C(N/N=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cc(Br)ccc1O 408876503 PLWIQYDAVPPEQB-ZRGSRPPYSA-N 466.310 5.061 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)c(OC)c2)cc1 408878409 BDIFYPOXOKMLRP-BUVRLJJBSA-N 484.552 5.613 50 40 JKGB N#C/C(=C/c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 408947398 CIVUMOBTXDVCGS-HAHDFKILSA-N 488.547 5.135 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC 408983366 LPMGOMFTEFGBNM-PXNMLYILSA-N 477.344 5.188 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12 408985486 XCJKYUGRQMMCDQ-UYRXBGFRSA-N 460.364 6.851 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1 408994528 ZOGMLIOXUDUJTG-UKTHLTGXSA-N 496.957 6.456 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OC(C)C 409049268 YQJYAYWWJKSIOJ-RDRPBHBLSA-N 453.542 5.852 50 40 JKGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1OC 409310581 VWECZCKGXNNXJC-WGARJPEWSA-N 483.362 5.118 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1OC 409325739 ALVFXQURKYMRKK-LQNQUEJISA-N 488.971 6.243 50 40 JKGB CCOc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OCC(=O)Nc1ccc(C)cc1 409332701 HTDIBVMPMHGSQU-JJIBRWJFSA-N 462.549 6.629 50 40 JKGB O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1ccco1 409397008 DYKOJANPASFCLS-UHFFFAOYSA-N 467.456 5.550 50 40 JKGB N#C/C(=C\c1ccccc1)C(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1 1777192 VJHYUCBCHVUDHK-SFQUDFHCSA-N 495.840 6.645 50 40 JKGB CC[C@H](Nc1ccc(OC)cc1)C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1 2097876 SJWCDPXAOGWNPI-JEWPKMHUSA-N 496.405 5.378 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)sc(C(C)=O)c1C 2265919 NXQQJTWGOHWSDC-MOSHPQCFSA-N 493.654 6.734 50 40 JKGB Cc1ccc(OCC(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)c(Br)c1 3144929 GEJLZOQCWSCCGH-RWPZCVJISA-N 490.401 5.598 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 3146249 JDAHDXSPBCVFDA-RWPZCVJISA-N 465.336 6.450 50 40 JKGB Cc1cc(C(=O)/C(C#N)=C/C=C2\N(C)c3ccccc3C2(C)C)c(C)n1-c1cccc(C(F)(F)F)c1 3191917 UBQGSMFHDRIHRK-AHVOSZSZSA-N 489.541 7.057 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 3232219 JGQXWMRGSWOQQS-XDHOZWIPSA-N 487.342 6.911 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1 3283625 GQPPWVCMCSJORZ-CJLVFECKSA-N 478.552 5.665 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)c(C)c1 13174329 BMMGIQHMUPVDTP-XMMPIXPASA-N 478.017 5.758 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccccc1 13940909 KSPBEYBDXRCJOQ-YUMHPJSZSA-N 496.423 5.874 50 40 JKGB CCOC(=O)Nc1sc(/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Cl)cc1 15226398 JSQQZHPYFXROGX-RVDMUPIBSA-N 454.895 6.004 50 40 JKGB CCO[P@@](=O)(OCCBr)C(c1ccccc1)(c1ccccc1)c1ccccc1 17023650 JRLPJYTUFMVWMF-MUUNZHRXSA-N 459.320 6.620 50 40 JKGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1Cl 19951991 YCAPJFTWWNPGHV-JVWAILMASA-N 484.021 5.117 50 40 JKGB C/C(=N/NC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 22739193 PFMIEFIXTCEWHK-MUXKCCDJSA-N 482.392 6.614 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)ccc1Br 30760478 MPRFIBSTQUYNFQ-NTFVMDSBSA-N 488.385 6.645 50 40 JKGB COc1ccc(Br)cc1/C=N\NC(=O)CCn1c2ccccc2c2ccccc21 34715621 LBNUYAZMLVGEHN-MYYYXRDXSA-N 450.336 5.106 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(C(C)C)cc1 59676776 QFZKGPUFBCKUFS-XHPQRKPJSA-N 452.602 5.473 50 40 JKGB CCOc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1cccc(F)c1 83292978 HSUKMFNMEBMXER-RGXNXFOYSA-N 498.554 5.190 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1cccc(I)c1 103198717 GFFUVFKJBJSCFP-AFUMVMLFSA-N 479.321 5.058 50 40 JKGB CC(=O)N/N=C1/CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1(C)C 118932434 RCFQMFZAFWOVMT-YQZRKRJZSA-N 468.770 8.156 50 40 JKGB CC(C)NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Br)cc1 207157928 ZFDACKJZQLVMQQ-SXGWCWSVSA-N 478.184 5.222 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC 408538922 RKWUSNWZZCMLFF-KGENOOAVSA-N 454.998 6.860 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 408579694 JQMFRTJOLANYRR-LICLKQGHSA-N 487.770 6.737 50 40 JKGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)o1 408747529 PGFXYTGPPRQYDT-GDNBJRDFSA-N 451.276 5.261 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408766995 YCUFIFKSIHJKPT-XFFZJAGNSA-N 462.676 6.361 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(I)cc3)o2)c(C)c1 408792503 ALDVBJVWFHVQED-SFQUDFHCSA-N 468.294 5.714 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)c1 408804889 BZIKMBYXQMZOKS-UDWIEESQSA-N 495.804 6.844 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Br)c1OC 408834939 WHDJHKAPDIRRJH-AWNIVKPZSA-N 495.757 5.073 50 40 JKGB CC(=O)c1cccc(-c2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)o2)c1 408844127 CDEMLYIGQACOJB-MSXFZWOLSA-N 451.276 5.422 50 40 JKGB O=C(O)c1ccc(COc2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2)cc1 408851088 HWTREJSVHYJEOI-ZMFRSBBQSA-N 493.313 5.236 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 408889510 DJNHRJBNANCHJX-LICLKQGHSA-N 491.296 7.137 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)c([N+](=O)[O-])c1 408889817 JKVFAZSPBQBTEP-LDADJPATSA-N 463.877 5.381 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccc3ccccc23)cc1 408925616 SJIXCYKFWLCRTK-NDZAJKAJSA-N 494.572 5.833 50 40 JKGB N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 408947301 BXCUYVRULXHPNN-ITYLOYPMSA-N 471.560 6.166 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1 409186807 ICZQGSHREZHJGF-SSDVNMTOSA-N 465.756 5.619 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 409222687 DALOKSIOOBXYBM-HMAPJEAMSA-N 495.406 6.237 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)c1 409264304 OQYAEPFGUUMJMK-YBFXNURJSA-N 494.378 6.173 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc(Br)cc1 409368769 LKMCANAMNLGJOG-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB COC(=O)c1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)c3ccccc32)o1 409393886 SWEDSEWQIRQKTO-UYRXBGFRSA-N 453.498 5.232 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(N)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2 706240 FNGMXCDGEMTQMA-DEOSSOPVSA-N 498.608 5.168 50 40 JKGB O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1)c1cc(-c2ccccc2)nc2ccccc12 1589844 ZPWLEHJLEADNJX-NDZAJKAJSA-N 491.422 5.950 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)sc(C(C)=O)c1C 2447980 YTEFOWRSGXQWNT-WJDWOHSUSA-N 497.598 5.553 50 40 JKGB CCOC(=O)N/N=C/c1cc(Br)c(OCc2c(Cl)cccc2Cl)c(OC)c1 8983741 OYACLIARLXUUOH-LSFURLLWSA-N 476.154 5.424 50 40 JKGB CCOc1ccc(-c2[nH]nc3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1OC 9308808 HBOCLTNJQHEWQX-KRWDZBQOSA-N 457.317 5.009 50 40 JKGB C=CCN(c1ccc(C(=O)NN=C2CCCCCCCCCCC2)cc1)S(=O)(=O)c1ccccc1 19937003 OREHRKYMQQFTOW-UHFFFAOYSA-N 495.689 6.458 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 33468235 ZNYAYPGECYXDSM-YSMPRRRNSA-N 450.601 7.765 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1ccc(C)cc1 33490601 UGYPIHSZFODMKF-JAIQZWGSSA-N 488.385 6.594 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c2C)cc1 58927396 XURYQTNBTWYAGY-OCSSWDANSA-N 488.056 7.112 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 59485113 XHXBYAILQGQNRW-ODLFYWEKSA-N 454.751 6.754 50 40 JKGB CCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F 103528559 BJUKZLXUTWDFBN-QGZVFWFLSA-N 484.375 8.859 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)c2cccc([N+](=O)[O-])c2)cc1Br 108101116 YJPIGGYJNHQHDD-VGOFMYFVSA-N 464.113 5.749 50 40 JKGB Cc1cc2c(cc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)[C@H](C)CC(C)(C)N2C(C)C 223592820 DMZKLUKOJHEBSX-SBUWOATQSA-N 483.656 5.882 50 40 JKGB CO[C@@H]1C[C@@H]2[C@@H]3CC=C4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@@H]1C(C)=O 253613865 KUJXAJMABXMSCW-MXAARBTNSA-N 460.775 7.170 50 40 JKGB biogenic,in-vitro Cc1ccccc1Cn1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c2ccccc21 408529249 IXBSWVBOMMTVEC-XAZZYMPDSA-N 464.491 5.579 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)c3ccccc32)c1 408542688 NDGSJKVAXACJQF-IPPBACCNSA-N 485.927 5.640 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1cccc2ccccc12 408544636 WCAJWJVZUSEUBM-PCLIKHOPSA-N 473.576 7.375 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1C 408592142 XTPZOMRIKFNTJJ-BHGWPJFGSA-N 461.305 5.082 50 40 JKGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 408606987 BIPNXSHZYZKJIB-OGLMXYFKSA-N 479.964 5.187 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 408745402 RNWRORGRNGJGLV-XKZIYDEJSA-N 487.386 7.580 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 408762221 AHHVCNJLVUIVRO-WJDWOHSUSA-N 455.297 5.976 50 40 JKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1 408786417 JNUOOOBGWFSYQF-GDNBJRDFSA-N 451.866 5.841 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)c(C)c1 408803885 UJXZFWWKLGYVRW-XQNSMLJCSA-N 450.513 6.720 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl 408836213 ZMFUSIFMFBSISD-WOJGMQOQSA-N 493.903 5.390 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)ccc1OCc1cccc(F)c1 408867139 IYROHFBNRGWISS-WSDLNYQXSA-N 490.531 5.044 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3Cl)ccc3ccccc23)cc1 408867748 MVGYBPJZIUSGLY-OQKWZONESA-N 452.941 6.638 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 408868195 OAVDDAMBEDMUQI-LDADJPATSA-N 467.403 5.738 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2cc(C)cc(C)c2)cc1 408870742 WRGPSMBXIOFVDV-BUVRLJJBSA-N 473.414 6.765 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Br)c(C)c1 408886057 HNZWRKZIJAGXGQ-KGENOOAVSA-N 461.359 6.191 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1 408894002 HYSMEZUJLSHWLQ-YBFXNURJSA-N 492.329 5.790 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl 408898071 KFILYEHUZHOJRC-LICLKQGHSA-N 471.315 6.266 50 40 JKGB CCOc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c2ccccc12 408978536 IZTYUGJMABYVQS-PLUOQXPISA-N 465.553 5.250 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(C)cc1 409008363 WMYZEHFJEBCLBP-HYARGMPZSA-N 469.541 5.184 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1ccccc1Cl 409051048 HJDQMZWDPLKSGO-MZJWZYIUSA-N 457.357 6.043 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 409056255 LIDJHOPKAFUUKL-RQZCQDPDSA-N 470.268 6.453 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(Br)cc3)c2C)cc1 409187594 SGFHVIMIANHWKJ-OYKKKHCWSA-N 455.356 5.411 50 40 JKGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 409223578 GHKSNAGMBWWBQU-GATIEOLUSA-N 492.702 5.538 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409249939 KBGRRKMTUXRNLW-DEDYPNTBSA-N 473.504 5.014 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 409260916 YLPHCIFTLFTQFT-LDADJPATSA-N 480.351 5.865 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3cccc(F)c3)c2)cc1OCC 409313540 CAOSZPNKKNYMMB-QRQIAZFYSA-N 450.510 5.356 50 40 JKGB N#CC1=C(N)N(c2sc3c(c2C#N)CCCC3)C2=C(CCC2)C1(C(F)(F)F)C(F)(F)F 721288 KSRCTGNXRFDPHO-UHFFFAOYSA-N 458.431 5.561 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc(F)cc1 1439515 APQQLOVCZHEHIR-GHRIWEEISA-N 465.278 5.353 50 40 JKGB COc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1 2234108 YFHHZPACHGNSFO-KVILUOORSA-N 483.593 5.377 50 40 JKGB CCCOc1ccccc1NC(=O)/C(C#N)=C/c1cn(CCC#N)nc1-c1ccc(Cl)cc1 9910797 MBGHXIKZFSFZEO-XDJHFCHBSA-N 459.937 5.452 50 40 JKGB COc1cccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)c1 14134340 YPBBYLDSPASDDR-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB O=C(CSc1nnc(C2CCCCC2)o1)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 14643014 COEJDBOHSGEJLE-RWPZCVJISA-N 488.535 6.296 50 40 JKGB CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cs1 15188262 URGCXISHIOMCLV-RIYZIHGNSA-N 490.894 6.046 50 40 JKGB Cc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)c(C)n1-c1ccc(Cl)cc1 33764605 DYBFBPAKUGLREU-MSXFZWOLSA-N 455.008 5.600 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(F)cc1 44790552 IJEAYVPIJMGASC-DEDYPNTBSA-N 454.423 5.647 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 59248894 GFVPEYNWPAVKSS-PDGQHHTCSA-N 463.921 5.390 50 40 JKGB O=C(NN/C1=C(\C(=O)C(F)(F)F)CCCCCCCCCC1)c1ccc(Br)cc1 59488965 MBIAYZOCHTXONZ-ZCXUNETKSA-N 475.349 5.984 50 40 JKGB Nc1cccc(Oc2ccc(P(=O)(c3ccccc3)c3ccc(Oc4cccc(N)c4)cc3)cc2)c1 149651979 DRPVTEDJZSZGSY-UHFFFAOYSA-N 492.515 6.075 50 40 JKGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 408609888 LXJGWLQOAZWCHG-WKULSOCRSA-N 498.410 5.786 50 40 JKGB Cc1cc(/C=N\NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(Br)cc1 408677912 VXKQKTQYTNYCIP-QQXSKIMKSA-N 465.395 5.221 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccccc3C)n2)cc1 408724982 NIOCCWWPIPGKCR-RUMWWMSVSA-N 486.575 6.287 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1 408792510 KJJHMPZICBOLHI-UFWORHAWSA-N 496.781 6.952 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1cccc([N+](=O)[O-])c1 408794928 JQLVISJSKPKPJO-LPYMAVHISA-N 471.513 5.735 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(C(=O)O)cc1 408795852 WJSAUUXNKWYPLM-OEAKJJBVSA-N 470.525 5.525 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc([N+](=O)[O-])c2)c1C 408799901 JEUSSKMUYATWAP-UDWIEESQSA-N 461.905 5.990 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)c(Br)cc1OCc1ccccc1 408800736 PAFSTNJKJXBQBZ-HYARGMPZSA-N 491.385 5.303 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(OCc2cccc(Cl)c2)c1 408803603 RAJSLTPTJDRTRZ-YBFXNURJSA-N 467.352 6.435 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1ccc(Br)cc1 408806437 JFUJNZDQOYPDFP-FWMOMEHNSA-N 497.433 6.029 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1c(Cc2ccccc2Cl)ccc2ccccc12 408866317 HLCUABMCSIAYKG-HKOYGPOVSA-N 450.969 7.192 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1Cc1ccccc1F 408867212 JKSSYOLEYXBUJF-RGVLZGJSSA-N 493.376 6.350 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1Cc1ccccc1Cl 408869566 SOSIOXPQBMNCJZ-CIAFOILYSA-N 479.407 7.145 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1Cl 408880781 IUSRNPRXCUDLOE-LDADJPATSA-N 463.877 5.381 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1 408895144 MESVQFOYPUEZBH-WOJGMQOQSA-N 458.861 5.766 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1cccc2ccccc12 408963823 AYJGRFBRTYEWMX-IBBHUPRXSA-N 487.918 5.855 50 40 JKGB CCc1ccc(N(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 409028394 MYVYGZGNAHYDCL-XHLNEMQHSA-N 491.657 5.282 50 40 JKGB COc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Cl 409032421 JKNNBUYRXTXBHK-VYYCAZPPSA-N 450.325 5.981 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409041986 LRXPSSSUNSYTQY-UDWIEESQSA-N 489.959 5.529 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409082021 QVVAOQXCSDRWET-XNTDXEJSSA-N 494.847 5.503 50 40 JKGB O=C(NN=Cc1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)COC2 409123937 JFEPVTOMTRNLTE-UHFFFAOYSA-N 499.748 5.116 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 409190727 QEZLNVQBUBVCRA-KQWNVCNZSA-N 474.004 6.292 50 40 JKGB CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(Cl)cc2)cc1 409224071 ISDLKSUOGWJOJH-MUXKCCDJSA-N 498.366 5.571 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409266947 ZGYANNHUMUCZAJ-MUXKCCDJSA-N 479.964 5.055 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1 409273533 YVVMIZNZVCQXQA-XSFVSMFZSA-N 459.933 5.520 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OCc1ccccc1Cl 409389959 BFDBKVGYHOSWBS-KBVAKVRCSA-N 487.987 6.033 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(I)c1)c1cccc(F)c1 409394220 XIMXORJCWOXGLS-ODLFYWEKSA-N 455.270 6.073 50 40 JKGB Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)NC3=C2C(=O)CCC3)o1 2312599 PQAOKSFLELQGLF-NRFANRHFSA-N 498.402 5.152 50 40 JKGB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(F)cccc2Cl)cc1 2782977 YYDVKZQFKAWTEW-GHRIWEEISA-N 483.952 5.442 50 40 JKGB Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)P(=O)(c2ccccc2)c2ccccc2)cc1 3177641 XXXLQIFFZBJXQH-AREMUKBSSA-N 495.968 5.640 50 40 JKGB CC(=O)C1=C(C)NC(SCC(=O)N2c3ccccc3C[C@H]2C)=C(C#N)[C@@H]1c1ccc(Cl)cc1 3296567 MILIFLDVNPHRON-BZQUYTCOSA-N 478.017 5.336 50 40 JKGB N#Cc1cccc(COc2ccc3ccccc3c2/C=N/NC(=O)Cc2ccc(Br)cc2)c1 9204825 MAOGNWRQHFHGGE-OCSSWDANSA-N 498.380 5.746 50 40 JKGB N#CC(C#N)=C(c1ccccc1)[C@@H]1[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)C2CC2)[C@H]1c1ccccc1 9371021 YCTYCODSHQCPSX-QBCKSJLUSA-N 467.572 6.151 50 40 JKGB Cc1c(/C=N/NC(=O)c2cc(Br)ccc2O)c2ccccc2n1Cc1ccccc1Cl 14408611 INCORYZHNOFVHO-UVHMKAGCSA-N 496.792 5.883 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1ccccc1 28216935 FPLVINULVWGTRD-RDRPBHBLSA-N 453.611 6.291 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)c1ccccc1F 34762682 PADLLQKMMGCEFS-SXGWCWSVSA-N 460.705 7.024 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCc1ccccc1 59336240 PEDKSMMMANTNKM-YVLHZVERSA-N 487.770 6.780 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(F)cc1 59535021 JXPMWKYVZLAUIW-QGOAFFKASA-N 451.295 5.713 50 40 JKGB CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)C3=C(O)CCCC3=N2)cc1 102860395 FKKVDIIBLJYZMK-RUZDIDTESA-N 471.582 5.839 50 40 JKGB Fc1ccc(-c2nc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cs2)cc1 139147566 YTDPJYOJJCXZGP-UHFFFAOYSA-N 454.530 6.443 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 207860831 BOCWQNBWZPDCKO-BKUYFWCQSA-N 457.486 5.345 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1 408544510 WQPCSYGJAMIBPK-IUXPMGMMSA-N 485.298 5.955 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccc(Cl)c(Cl)c1 408585135 BBXBGPCRUZZXIS-MFOYZWKCSA-N 493.615 8.052 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)NNc3ccccc3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1 408609312 QZBCMBYBBMHEGJ-SFHVURJKSA-N 484.383 5.377 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccccc1Cl 408609726 LFEWLGAKJVNYBP-RPPGKUMJSA-N 476.747 5.315 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408787477 AQAKMNXVAANPQO-KEBDBYFISA-N 491.931 5.998 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 408789355 PDJCZLKUPSGIAD-SFQUDFHCSA-N 499.876 5.922 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1cccc2ccccc12 408789367 PGNIAYFSKUFJJS-ZVHZXABRSA-N 496.994 7.243 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 408790756 YIGCMZYIKLQNFJ-UDWIEESQSA-N 464.924 6.175 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3F)c3ccccc23)cc1 408792801 CPJFRBIHIRJYQW-XSFVSMFZSA-N 453.473 5.161 50 40 JKGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c(C)n1-c1ccc(F)c(Cl)c1 408820046 UUAWEIALDVNXGR-BDLMEYOBSA-N 458.928 5.094 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cc2cc(Br)ccc2o1 408820832 ZGNNUQFGLVHLHV-MXAYSNPKSA-N 494.301 5.446 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1cccc2ccccc12 408851488 CBQJBUMTFLUINF-LJUMEUDFSA-N 498.966 6.981 50 40 JKGB Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1 408871144 YIMRCJCDMKNGDS-CIAFOILYSA-N 479.805 6.856 50 40 JKGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)n2c1 408873776 VOZFFXGIHOBWMB-KBKYJPHKSA-N 454.361 5.429 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 408877651 XENZEQQEISFUCY-RQZCQDPDSA-N 491.296 7.137 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1cccc(Cl)c1 408882187 QHLYGYRHIBJFQZ-DHRITJCHSA-N 473.754 5.454 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl 408890070 NHOCSJVCWOYKQQ-UVHMKAGCSA-N 477.775 6.388 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Br)cc1 408897092 VNBVYFTXVYUFNF-AFUMVMLFSA-N 498.333 5.099 50 40 JKGB Cc1cc(/C=N\NC(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc2ncccc2c1 408965546 IPDYPZUJXVVTDY-WGARJPEWSA-N 462.351 5.560 50 40 JKGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)cc1 409025698 YWJUMECQEWNWAK-YZSQISJMSA-N 490.412 5.038 50 40 JKGB CCCOc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 409030573 DXQADWDTRYPEIG-LQKURTRISA-N 491.016 6.760 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)c1 409046502 KYLZMAZAHLSRMD-GIJQJNRQSA-N 471.771 7.080 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409075986 ZXYSOPQIQIOXPI-YBFXNURJSA-N 474.900 6.221 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 409200241 QZNULTLKIJZWNP-SNDUKXJISA-N 482.367 5.729 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1OC 409322740 KQLLVHFQBATQAZ-DICXZTSXSA-N 497.935 5.389 50 40 JKGB COc1cc(/C=C(\C#N)c2cccc(F)c2)cc(Br)c1OCc1ccccc1Cl 409390327 DZMVALVHLKWZKM-GIJQJNRQSA-N 472.741 6.893 50 40 JKGB COc1cc(C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccco1 409399367 ZZHBORNTSFNGSR-UHFFFAOYSA-N 493.519 5.728 50 40 JKGB N#CC1=C(S)N(c2ccccc2)[C@H](c2ccc(-c3ccc(Br)cc3)o2)NC1=O 1453189 TZEVGPYGAOXFPH-LJQANCHMSA-N 452.333 5.009 50 40 JKGB C[C@H](Br)[C@H](OC(=O)c1ccc(Cl)cc1)c1cc2c(cc1Br)OCO2 1614635 NARJJTBWXGTBFG-FVMDXXJSSA-N 476.548 5.513 50 40 JKGB COc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1COc1ccc(Cl)cc1 2268313 FHGJLNKPVINGNP-UVHMKAGCSA-N 485.392 6.560 50 40 JKGB Cc1cc(OCCn2cc(/C=C(\C#N)C(=O)NCc3cccs3)c3ccccc32)ccc1Cl 2768236 PZBNYKPXBQQYAV-XMHGGMMESA-N 476.001 5.967 50 40 JKGB CC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccccc1)N2 6074189 BGFCFSUMQMMXNS-CIHKHTDDSA-N 479.001 6.836 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 8721073 FBPIFZVLONKYQF-WTQBOQAGSA-N 494.639 5.791 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccc(C#N)cc1 8812415 FIEIOGOXFUMULE-CCVNUDIWSA-N 451.885 5.092 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cc(Cl)cc(Br)c1O 9259535 NOTHQXKFJIBVPP-MSXFZWOLSA-N 459.727 5.004 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C\C=C\c3ccco3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 12468183 NYUQWSDSZHWILY-DZGBPOQHSA-N 499.640 6.041 50 40 JKGB CCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(SC)cc2)/C(=C\c2ccc(SC)cc2)C1 13739561 PVCDLYMFCPBXAU-YSPNNUNSSA-N 461.656 5.611 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc(Cl)cc1 13940935 KEMMZVASCRZEPL-MYYYXRDXSA-N 499.086 6.270 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc(Br)c1O 15979120 PZAJXOXDTFXVQW-LFIBNONCSA-N 465.303 5.501 50 40 JKGB C/C(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)=N\NC(=O)c1ccc(C(C)(C)C)cc1 16137034 BPAHXJNRLALVAO-XODNFHPESA-N 453.892 5.791 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1Oc1nc(Cl)ncc1F 16312338 YCIGQYNHINSYLI-SXGWCWSVSA-N 452.873 5.233 50 40 JKGB CC(C)C[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)NC2=C1C(=O)CCC2 19901097 UQZOABGTSQGNHN-MRXNPFEDSA-N 474.424 5.129 50 40 JKGB CCOc1cc(/C=N/NC(=O)CC#N)c(Br)cc1OCc1ccc(Cl)cc1Cl 59197492 QORCJMIPRBKQET-YSURURNPSA-N 485.165 5.097 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc(F)cc1 59335733 WYGBVOAIZHDCNJ-JLPGSUDCSA-N 470.544 6.386 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)c1 107708916 CIVOOMHPMZBNRB-LDADJPATSA-N 463.896 5.351 50 40 JKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c1C 408535244 YBYGASQQZUTVCD-XKJRVUDJSA-N 462.903 5.637 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(Cl)c(Cl)c1 408542673 MXMHSKXVULFGAA-NVMNQCDNSA-N 497.334 5.825 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1-c1cccc2ccccc12 408728058 ZMKCMJSLFOZUPS-OCSSWDANSA-N 474.520 5.494 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c1 408795220 LQLSCKOXGHRZMX-VXLYETTFSA-N 469.343 6.874 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(C)cc1 408809790 JDGIXLVQGNRQTI-ONUIUJJFSA-N 452.554 5.535 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 408819739 SSNDWDWCTYNEQS-DXJNIWACSA-N 489.531 6.175 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4OCC(=O)O)cc3)cs2)cc1 408841408 GXBGGRYTHKLWLE-MZJWZYIUSA-N 486.553 5.089 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 408895104 TUCNTMCDGZJAFG-OPEKNORGSA-N 495.204 5.936 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1cccc2ccccc12 408904282 HLDITXCPGOSFLO-MWLSYYOVSA-N 495.491 5.846 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Br)cc2F)c1C 408983621 MWSOQGZJHUPALD-YVLHZVERSA-N 486.772 6.503 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccccc1C 409011678 IBMAHNBQRINFSY-UVHMKAGCSA-N 486.355 5.092 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OCc1cccc([N+](=O)[O-])c1 409022418 NEEOMTAEGLHLDC-VYYCAZPPSA-N 493.903 5.736 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccco2)cc(Br)c1OCc1ccc(Cl)cc1 409039768 SCGCJHWOIHYYQB-FOKLQQMPSA-N 463.715 5.047 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)C(=O)NCCCc1ccccc1 409237497 XBBMTKNDEIAZQC-AQTBWJFISA-N 469.766 6.018 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 409255964 MVFZRRDUILVGAV-DEDYPNTBSA-N 493.485 5.885 50 40 JKGB O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 409264816 QSTZKVBQMIGKIZ-BFWPAWLWSA-N 482.367 5.076 50 40 JKGB CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc(Br)c1OCC 409393177 VCJJZBYXFBXPMC-PKAZHMFMSA-N 481.390 5.529 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)sc(C)c1C 1805822 IHUAKWBPOLLXIM-OQLLNIDSSA-N 499.932 5.909 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 2078455 UAJUHPNJXTXLIV-UVHMKAGCSA-N 473.356 5.662 50 40 JKGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccccc1Cl 2310035 SFCFUTRSZUZGKJ-RTWAWAEBSA-N 498.004 5.215 50 40 JKGB C/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)c1cccc(NC(=O)C2CCCCC2)c1 4155355 RGMWBBSUZZOYAH-DICXZTSXSA-N 462.377 5.431 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3C#N)c(OCC)c2)cc1 10476024 SLXQRTLRAKWQAE-OCSSWDANSA-N 491.975 5.281 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC(=O)c1cccc2ccccc12 12590760 YYFHDWFRABEMPS-XQNSMLJCSA-N 476.532 6.230 50 40 JKGB CC(C)/C=N\N(CCOC(=O)Nc1cccc2ccccc12)C(=O)Nc1cccc2ccccc12 17161470 USKYHCBPVWQRDH-CEUNXORHSA-N 468.557 6.717 50 40 JKGB O=C(CSCc1ccccc1Br)N/N=C/c1ccc(Oc2ccccc2)cc1 20243970 ZFYDQSKXDIDIHN-ZVHZXABRSA-N 455.377 5.625 50 40 JKGB CCOC(=O)/C(C#N)=C/c1c(C)n(CCOc2ccc(C3CCCCC3)cc2)c2ccccc12 23477855 LCINDIUPXJJUNF-LYBHJNIJSA-N 456.586 6.547 50 40 JKGB O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1cccc(Cl)c1 32576865 YCUHIYXYJMQXSX-ZMFRSBBQSA-N 469.397 5.634 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4cccc(F)c4)c(Cl)c3)[nH]c2c1 34828826 IUBOVKFRLNJEER-IUXPMGMMSA-N 452.316 6.960 50 40 JKGB COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 40476959 OJXRUNKEJZGBRC-NBVRZTHBSA-N 479.517 5.833 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2C)cc1 58884373 AIPDMPOBCZRWLK-KVSWJAHQSA-N 476.886 5.164 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2)c1OCc1ccc(Cl)c(Cl)c1 59116750 DRULLWHNPPQOTO-QGOAFFKASA-N 453.325 6.127 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)cc1 59335438 SPTOXLDMFFVSDL-NTFVMDSBSA-N 489.663 7.416 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1C 59432648 NUGLGIQPKGJJTB-KGENOOAVSA-N 461.359 6.191 50 40 JKGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\c2cc(O)c(Br)cc2Br)cc1 67197113 RYVSCTBGGZBZPE-XOCBIMOVSA-N 494.227 5.469 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 96487977 YSJBYXBOYWPZAS-XDHOZWIPSA-N 465.322 6.021 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c2C)sc2c1CCCC2 100278348 HZSGHCQBCUBALO-AQTBWJFISA-N 477.561 5.506 50 40 JKGB CCCCCCCCCCNC(=N)CSSCC(=N)NCCCCCCCCCC 104157815 ULAZFPNKVHPHCV-UHFFFAOYSA-N 458.826 7.783 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccc(F)cc1 108087266 YNMQIXDDYZXNCR-ZHZULCJRSA-N 473.504 5.096 50 40 JKGB CCCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OCC 108123035 QOLQAVWZLSDRCH-COEJQBHMSA-N 490.600 6.006 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 408539150 UGPWUHKVVMYKJQ-MHWRWJLKSA-N 485.333 7.517 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl 408539747 YNSLTYMVHWDOEO-QGOAFFKASA-N 479.835 7.932 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccccc2F)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 408552477 IVDSGDDPCHOBJO-XDHOZWIPSA-N 457.530 5.762 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1 408581467 IHCCZNGDUIPDOC-CIAFOILYSA-N 464.359 6.418 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccccc1 408727470 ZCRVTJMTNOOYFU-WQRHYEAKSA-N 479.330 5.288 50 40 JKGB O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1ccccc1O 408730690 HBPUEEHHOJFHFO-YQYKVWLJSA-N 457.533 6.281 50 40 JKGB N#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Br 408747552 PLVCAMWVVZDJFM-GHXNOFRVSA-N 495.558 5.313 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)c1 408755578 OOYIRAMCEUEJRU-CPNJWEJPSA-N 475.932 5.302 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1cccc(Cl)c1 408810780 UTWRKUJSZBRBPK-VCHYOVAHSA-N 497.776 6.236 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(OC)c1 408833373 JQBINZPPIHIIBI-WOJGMQOQSA-N 483.351 6.135 50 40 JKGB C#CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1 408842769 KSFVQFUSHLULLB-OGLMXYFKSA-N 466.566 5.638 50 40 JKGB Cc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408852192 DAOBAHJEVXUWTN-RGVLZGJSSA-N 487.224 8.016 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408883927 VHFHJCOLUQUDAP-CXUHLZMHSA-N 479.279 6.111 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1cccc2ccccc12 408894698 KPUJXYSADQBRCN-XMHGGMMESA-N 480.436 5.994 50 40 JKGB Cc1cccc(C)c1OCC(=O)N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 408910191 GDUDKURJWIOEKC-MUFRIFMGSA-N 483.524 5.473 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)c(Br)c2)cc1Cl 408982258 CYLQTOYXMFJZCC-ZDLGFXPLSA-N 499.767 6.675 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)c1 409045188 FOIMNAVJRBXACB-CPNJWEJPSA-N 490.357 5.321 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 409073172 VHVGSFKSJYYIPH-OBGWFSINSA-N 482.945 5.052 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)C(=O)NCCCc1ccccc1 409233765 WWYVOPJAHBCMPY-JWGURIENSA-N 473.960 5.013 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Cl)cc1C 409259183 XVVJEBXMJUWSQH-BKUYFWCQSA-N 473.960 5.828 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409264609 LJHXFRINHDICSK-HZHRSRAPSA-N 483.568 5.574 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409315189 IMYHTPSXUFZIQC-JLPGSUDCSA-N 462.549 6.547 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)c1 409375065 DYYYSNAFWHXINT-LDADJPATSA-N 463.896 5.351 50 40 JKGB N#C/C(C(=O)Nc1ccc(Cl)c(Cl)c1)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 2300751 IKPPZFFCVXKFPV-AEPTXUNZSA-N 494.403 6.058 50 40 JKGB COC(=O)c1cccc2c(/C=N/NC(=O)CSc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c[nH]c12 3215846 PFQDNKKYDNVYNX-IPPBACCNSA-N 495.645 5.498 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccc3ccccc3c2)ccc1OCc1cccc2ccccc12 8722707 XAJFJTKQOTYZNZ-BIZUNTBRSA-N 490.559 6.110 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(CC(C)(C)CC3=O)N2)c(C)c1 13066905 ZHLBCVPYUNJADL-QHCPKHFHSA-N 477.655 5.802 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1F 13939807 CMHFALJDBWLYAD-LDADJPATSA-N 485.342 6.656 50 40 JKGB C/C(=N\NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 19956981 YEBXPIKRLNWDCD-VFCFBJKWSA-N 477.630 5.104 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1 20197908 CCOOSLBBWVMLTB-JVWAILMASA-N 452.938 5.480 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)o1 58871341 UPHZYAIKBDNRSX-SSDVNMTOSA-N 452.517 5.015 50 40 JKGB Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)c3ccccc32)c1 59117353 GTLOZZUMACIZQV-UNOMPAQXSA-N 460.364 6.851 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cccc(C)c1 59500475 MVXDLJPEZZNVLQ-VYYCAZPPSA-N 471.340 5.684 50 40 JKGB CCCC[C@@H](I)C[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95677038 JQEZOODFYSEAMT-RNFRBKRXSA-N 496.098 6.405 50 40 JKGB O=C(NNc1ccccc1OCc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408612264 YAIANKDNRSIZRX-QGZVFWFLSA-N 470.356 5.069 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1cccc(Cl)c1Cl 408677964 WLKLPYDFRRUQCN-JFLMPSFJSA-N 455.389 5.765 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2-c2ccc3ccccc3c2)c1 408724476 LCFGACYDZOTDTR-RDRPBHBLSA-N 475.508 5.673 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1 408726681 SQLIRWAICAESMX-RDRPBHBLSA-N 450.929 6.110 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1 408744695 GNKUPPIQKIOXQK-YVLHZVERSA-N 471.315 6.266 50 40 JKGB N#C/C(=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1I 408761473 DXFKOLSMINVSQY-JXAWBTAJSA-N 494.288 5.056 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCc1cccc2ccccc12 408764205 WKAPLQBUVQRXRA-VTNSRFBWSA-N 492.497 6.139 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Br)cc1C 408800524 NNBZAWMOJKUWIH-UDWIEESQSA-N 477.358 5.896 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1C 408813396 UDUFWPSZRWURKS-HZHRSRAPSA-N 466.968 7.235 50 40 JKGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OC 408835252 YCUJQTJBHUSGTF-VGOFMYFVSA-N 465.333 5.354 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1OCc1ccccc1Cl 408889690 IZJPYBJAPKFTOF-DHRITJCHSA-N 473.754 5.454 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])ccc1OCc1ccccc1 408895463 KQPDFITZDOGJDY-DEDYPNTBSA-N 473.485 5.127 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408895984 OTCPWMVMLYVQIM-CPNJWEJPSA-N 497.894 6.166 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(C#N)cc3)c2C)cc1 408952632 VLNWXKQQRWLZLF-ZXSNDDASSA-N 497.602 6.496 50 40 JKGB COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)o2)cc1Cl 408984942 UNKFMJATAWIFAX-XNTDXEJSSA-N 455.297 5.894 50 40 JKGB O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Oc1ccccc1/C=N\NC(=O)c1ccccc1 409004202 BCAJVWQATMHOCJ-JBAMISNMSA-N 490.515 5.289 50 40 JKGB N#C/C(=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 409077234 CYRRQSXLCFVXEK-XNTDXEJSSA-N 487.821 6.605 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)cc(Cl)c1OCc1ccc(Cl)cc1 409142566 ATQLLUQCELPXMC-MZJWZYIUSA-N 473.356 5.744 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)c1ccc(Cl)cc1 409192223 BLUYUSYLDICVAR-RWPZCVJISA-N 493.788 6.599 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1OCC 409325152 XDZNRUOHXJUYCB-RHANQZHGSA-N 494.975 5.655 50 40 JKGB Cc1ccc(COc2cccc(/C=C(/C#N)c3ccc(I)cc3)c2)cc1 409368895 RRZULYCCCAKYKL-BKUYFWCQSA-N 451.307 6.243 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)cc1 1888131 PWTVLFKMSBQHQK-NLTRVXJZSA-N 488.012 6.022 50 40 JKGB N#C/C(=C/Nc1cccc([N+](=O)[O-])c1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 8387216 STXFBTLOVPAUTK-SSZFMOIBSA-N 466.478 5.954 50 40 JKGB O=C(NNc1ccccc1)/C(=C/c1c2ccccc2cc2ccccc12)NC(=O)c1ccccc1 8926146 XDIRSMJDIBQTSH-RRAHZORUSA-N 457.533 5.907 50 40 JKGB CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1 9460987 RPZIOBJAQFPBMC-FXBPSFAMSA-N 478.646 7.715 50 40 JKGB Cc1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3cccc(Br)c3)ccc2O)cc1 13897024 ANAXTSAWMTXZCM-ZXSYOUNQSA-N 467.323 5.408 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1 13899250 IQHYEQYBCBEHSP-YBFXNURJSA-N 465.303 6.009 50 40 JKGB CCCC/C(C)=N\NC(=O)CNc1c(Br)cc(Br)cc1Br 15134160 OKKNIRQJDOLVHP-OCKHKDLRSA-N 484.030 5.068 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 20197344 PIASKXMQSWLKMQ-NDZAJKAJSA-N 468.553 5.980 50 40 JKGB Cc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 28215885 SEPKETJTROEHSO-RPPGKUMJSA-N 460.430 6.093 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4cc3OC)c2C)c(C)c1 35362269 QVJQIMHUBNPRLX-MUFRIFMGSA-N 469.541 5.115 50 40 JKGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 59417685 VCYSQFBHULOBTP-LQKURTRISA-N 463.965 5.133 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2)c1OCc1ccc(Br)cc1 59435301 FZYOBZXCZSCTNP-DHRITJCHSA-N 473.754 5.454 50 40 JKGB CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(C)cc2)cc1Br 408540287 PQIREWBSQLIROU-OYKKKHCWSA-N 496.243 6.243 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1C#N)c1ccc2ccccc2c1 408551208 MJZRUKCSRPYCNY-QFEZKATASA-N 465.350 7.117 50 40 JKGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1C 408608771 INQGGBMFFYUPOO-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3)c(Br)c2)c1 408744459 LGDVXNLKTQNLDP-ODLFYWEKSA-N 481.777 6.536 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 408748220 AHPKBUSLWQATSG-DHRITJCHSA-N 461.400 5.522 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2Br)cc1)C(=O)Nc1cccc(Cl)c1 408753149 IDUIGNDQUCPKDM-FOWTUZBSSA-N 481.733 5.867 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408788435 DAHIAFMERMHHAC-LICLKQGHSA-N 457.744 6.771 50 40 JKGB COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C 408797427 RUQHGZSWZJXSEQ-LFYBBSHMSA-N 484.575 5.728 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(C)c1OCc1ccc(Cl)cc1Cl 408843440 FQCGDUPMUYNJRG-WSDLNYQXSA-N 465.380 6.413 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1ccc(F)cc1 408879428 GDFKTRVRJJDKMQ-CPNJWEJPSA-N 460.461 5.047 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408885574 CEGCPTOYFYFBMX-LICLKQGHSA-N 498.322 6.035 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OC(=O)c1ccccc1 408887655 QCXXRCVOIZKCIM-DHRITJCHSA-N 487.737 5.094 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1ccccc1Cl 408898453 LLRZYMQXZMZZPP-CPNJWEJPSA-N 476.916 5.562 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 408983876 NWGUYOQUMFDALJ-MFOYZWKCSA-N 489.761 7.219 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1ccc(C(C)C)cc1 409032414 JIXHOIXCSJPTNH-UCMJSZAQSA-N 486.619 7.197 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1)c1nc2ccccc2o1 409040607 HCDYGRSHHNRLJO-CXUHLZMHSA-N 455.728 7.431 50 40 JKGB C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 409053873 DECDCHGERXSFMB-MDWZMJQESA-N 496.586 5.975 50 40 JKGB N#C/C(=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)C(=O)Nc1ccc(O)cc1 409092268 UXHPRYZDOYGMNP-GDNBJRDFSA-N 469.375 5.657 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc2ccccc2c1 409123909 FTMKDHADUBJBIJ-NDEPHWFRSA-N 479.580 5.547 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1ccc(Cl)cc1 409191625 JNHCLKYMANOVHS-YVLHZVERSA-N 489.797 5.656 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1C#N 409240340 SRDSCPHMLLYKTJ-FDVSRXAVSA-N 465.912 5.021 50 40 JKGB Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Cl)c1 409258955 WPPQEIXCIZKUGY-PPDIBHTLSA-N 490.774 5.737 50 40 JKGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C2C#N)cc1Cl 409323985 QMZWHTVSZPOVAP-ZDUSSCGKSA-N 495.910 5.078 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1cccc(C)c1 409393847 SRDCDRUBHHHQSD-JMIUGGIZSA-N 452.323 6.548 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 409394301 YHAYNKZDODGPJA-GRSHGNNSSA-N 495.348 5.987 50 40 JKGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)sc(C)c1C 1453451 ODXYJZPHNAQDDE-UKTHLTGXSA-N 475.353 6.264 50 40 JKGB N#C/C(C(=O)Nc1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 1790531 GDZSSTSOMMPSCI-JSIHEXFSSA-N 494.403 6.058 50 40 JKGB CCOc1ccccc1N/C=C(/C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2287460 JPBDPGIXLWPETI-QINSGFPZSA-N 494.370 6.054 50 40 JKGB COc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)NC2=C1C(=O)CCC2 2312169 XKEPSIVOUOGOHX-HSZRJFAPSA-N 479.989 5.150 50 40 JKGB N#CC1=C(N)N(c2sc3c(c2C#N)CCCCC3)C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 3664814 GXASLQKNEBZNQJ-QHCPKHFHSA-N 475.017 5.847 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)cc1 27017776 ZTPXTXOWMJMCPI-RELWKKBWSA-N 459.553 6.279 50 40 JKGB CCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 27563455 UBJABEXNVZYVGO-BSYOHADZSA-N 489.955 6.439 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 33750483 GIPGZZVGVLBRIY-DHRITJCHSA-N 465.918 5.806 50 40 JKGB Cn1c(/C(C#N)=C\c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)nc2ccccc21 34771379 NTHRBYOAVQTUKP-CYVLTUHYSA-N 452.514 6.635 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(-c4ccccc4)o3)o2)cc1 34828297 HRWCIBVPZZSUFS-YKQZZPSBSA-N 479.536 6.290 50 40 JKGB N#CC(C#N)=C1C=C2N[C@]34CCCC[C@@H]3[C@@H](c3ccccc3)C=C(c3ccccc3)N4C2=CC1=O 49864534 FGOLVDVSZTWLSE-OQYYAWADSA-N 456.549 5.311 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)N=C3CCCC(O)=C32)ccc1O 102625984 RLZQDDFNOFNBDR-HSZRJFAPSA-N 479.533 5.181 50 40 JKGB O=C(/C=C/c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)o1)c1ccco1 102939858 WPTTVPWUEXPYFI-QZQOTICOSA-N 463.493 6.263 50 40 JKGB CCOC(=O)c1ccc(N2C(=O)/C(=C\Nc3ccc(SC#N)cc3C)c3ccccc3C2=O)cc1 103004069 WRFXZLLINDAJON-HAHDFKILSA-N 483.549 5.385 50 40 JKGB CC(C)=CC[PH](CP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 104216744 WGGUGIDZMOBIAP-UHFFFAOYSA-N 454.534 6.444 50 40 JKGB Cc1cc(N(CCC#N)CCC#N)ccc1C(=N/NC(=O)c1ccccc1)/N=N/c1ccccc1 104315721 YXSCJIQLOCNIKL-RTTLUNEESA-N 463.545 5.504 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccccc2OC)ccc1OC(=O)c1ccc(Cl)cc1Cl 105056573 YKKPSIFQWFCSNO-VYYCAZPPSA-N 487.339 5.384 50 40 JKGB CC(=O)Nc1ccc(C(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 107837310 AZMGJOOYIGFTNO-MUFRIFMGSA-N 471.944 5.795 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)Sc1nc2ccccc2s1 108200084 WNTYVAGDMPICHL-GZTJUZNOSA-N 476.495 6.562 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)cc1Cl 408735771 XHHVSUHGJXTORQ-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Br 408744143 XALAMUVJVDMFLO-JYRVWZFOSA-N 450.130 5.156 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Br 408746174 XXMXMPUHXAKVSB-ZSOIEALJSA-N 464.157 5.464 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 408746861 WWNOKOMLJZTHEV-MOSHPQCFSA-N 462.933 5.872 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 408778631 JDJHNGUULZFPRF-UYRXBGFRSA-N 495.348 6.112 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1OCC 408779923 NQDFPOQCAJTLAF-WQRHYEAKSA-N 455.352 5.575 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccc(Cl)cc2)cc1 408782746 YUXDKBGSFNEMIF-JVWAILMASA-N 484.021 5.117 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Br)cc1 408784456 RHBRNEZWYSYVBB-YBEGLDIGSA-N 489.200 6.709 50 40 JKGB COc1c(Cl)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 408792587 BCJAJCSDWZVURB-WOJGMQOQSA-N 497.776 6.236 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1ccc(Cl)cc1 408793426 FKRNLEBVWAVESL-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 408793867 GJDBPTMBJRWQFZ-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2c(C)ccc3ccccc23)cc1 408812439 LVOJVDRDPZIMCN-JJIBRWJFSA-N 476.532 6.060 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c(Br)cc1OCc1ccccc1 408812913 XMWDSGHCBHAEMY-WSMCSGFASA-N 483.406 5.639 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(C)c1 408843680 MSKNORKKTQWOMG-JFLMPSFJSA-N 456.571 5.943 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1 408846256 IZGJJUBKPKNCRS-GZTJUZNOSA-N 451.841 5.512 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)cc(C)c1OCc1ccc(Cl)cc1 408850835 RZALPLPXBGWZCZ-LGJNPRDNSA-N 471.782 6.062 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408885896 GMVZWBYSVDUOJH-VCHYOVAHSA-N 482.323 6.335 50 40 JKGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OCc1c(Cl)cccc1Cl 408887162 OMUABQWBYNBFQZ-KKMKTNMSSA-N 493.774 5.764 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cn(C(C)C)c3ccccc23)cc1 408937559 GUWQVYGQHZKFKW-DXJNIWACSA-N 460.581 6.752 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OCC 408952401 NRAMHDUJRKICCG-UNOMPAQXSA-N 494.389 5.160 50 40 JKGB Cc1cc(/C=N\NC(=O)c2ccc(Br)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 409001700 QPAVXPDSCCQOOU-ZRGSRPPYSA-N 464.285 5.639 50 40 JKGB N#Cc1ccc(COc2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2)cc1 409032071 IRBXKORJPRNHLW-FMFFXOCNSA-N 482.543 6.116 50 40 JKGB N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 409073558 VUZUORHPRPKWQK-FOWTUZBSSA-N 473.337 5.307 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OC)c1OCc1ccc(F)cc1 409074306 YZNVLCSSBITFFM-XQNSMLJCSA-N 486.543 6.086 50 40 JKGB CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)C2=C1CCCC2=O 409127528 NLZJZDPTKFCWIB-JOCHJYFZSA-N 498.808 5.411 50 40 JKGB O=C(NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)COC2 409135283 UEEKNUUXKYDUCC-UHFFFAOYSA-N 455.297 5.007 50 40 JKGB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)o1 409188544 CWHURSNXCLRNCT-GATIEOLUSA-N 457.269 5.550 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409258579 VLVDPFKQERLWFJ-VYYCAZPPSA-N 486.355 5.174 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)cc2)cc1OCC 409310452 BFFGXFDMYLTBIC-GTWSWNCMSA-N 482.580 6.370 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(F)cc1 409374043 JNYXECBFROJLKB-WQRHYEAKSA-N 492.348 6.506 50 40 JKGB N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(Br)cc1 677925 BFBRLSDBEUYOMT-NRFANRHFSA-N 469.342 5.520 50 40 JKGB CCOc1cccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC)c1OCc1ccc(Cl)cc1Cl 706902 YSJAWVKTRFAYSR-OAQYLSRUSA-N 489.355 5.226 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cccc(OC(=O)c2ccccc2Cl)c1 2692032 VYZFHANSJZXRHX-RPPGKUMJSA-N 477.731 5.395 50 40 JKGB Cc1cc(OCc2ccc(C(=O)N/N=c3/c(=O)c4cccc5cccc3c54)cc2)ccc1Cl 3353970 GLSFBIXDCHSFCA-XLVZBRSZSA-N 454.913 5.015 50 40 JKGB CCCNC(=O)N(NC(=O)Nc1ccc(Cl)cc1)c1nc(-c2ccc(OC)cc2)cs1 3768111 RSMMPNAZXXNYSS-UHFFFAOYSA-N 459.959 5.135 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@H]1[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 8766643 SHGQHJXEYIXIDA-LYBRAKKWSA-N 467.572 6.307 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc(OC)c1OC 12559667 BHZIRDBITFSHGU-DEDYPNTBSA-N 470.550 6.692 50 40 JKGB CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C(/CC)c2ccccc2)cc1 15133937 HTUOJGYZVZTMPW-KWNKCFODSA-N 455.558 5.177 50 40 JKGB Cc1ccccc1N(CC(=O)N/N=C/c1cccc(Oc2ccccc2)c1)C(=O)c1ccccc1 16362834 DQBGETQHEXDOHE-TWKHWXDSSA-N 463.537 5.584 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC2CCCCC2)c(C)c1 16700754 VHCSEGQSAHTZNZ-HEHNFIMWSA-N 454.574 5.602 50 40 JKGB N#C/C(=C\c1c(Cl)cccc1Cl)c1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 16733978 VCEJYGPRVNPLSI-ZRDIBKRKSA-N 472.378 7.088 50 40 JKGB N#C/C(=C\c1cccs1)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1 27023563 KZNBUOUGPUUMOC-SDNWHVSQSA-N 454.001 6.903 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl 28216070 DBMOFYQSLXBPLL-KBKYJPHKSA-N 480.848 6.438 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 33337507 PDWWYKIJTIKKGW-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)c2C)sc2c1CCCC2 33409220 FPKJEJUBOVPUSP-RCCKNPSSSA-N 487.625 6.065 50 40 JKGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2cccs2)cs1 39842889 DLGMQQUNFUVHSH-GZTJUZNOSA-N 488.550 5.861 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1 41074231 MAXNGZZSTJSZFT-XDJHFCHBSA-N 499.368 5.856 50 40 JKGB N#C/C(C(=O)N1CCCCC1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 100911110 BXIOCOIJGFEVJU-GHIWRQRASA-N 486.424 5.432 50 40 JKGB C[C@@H](CCCI)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118925990 HBAQUSMBLAIDOW-NQQYONMLSA-N 456.496 7.887 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)cc1 252491704 LRFQOQOTODFURB-RVDMUPIBSA-N 466.291 5.725 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)c1ccc(Cl)cc1Cl 408581092 UIZZUYKBKSAEAB-MHWRWJLKSA-N 457.744 6.728 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1OC 408583213 SLODVKGFXRYESQ-GIJQJNRQSA-N 474.771 7.307 50 40 JKGB N#C/C(=C\c1ccc(Cl)cc1Cl)c1nc2ccccc2n1Cc1c(F)cccc1Cl 408719335 LIGYPASFBDTPRO-XNTDXEJSSA-N 456.735 7.248 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1cccc(Cl)c1 408753603 NOQARLSHFMYELC-RWPZCVJISA-N 493.788 6.599 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)c3nc4cc(C)c(C)cc4[nH]3)c2C)sc2c1CCCC2 408769688 ZFZXHALNKHMKMZ-MOSHPQCFSA-N 484.625 6.378 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2Cl)c1 408793833 GZJGRHNTTIMNNS-DJKKODMXSA-N 485.798 7.388 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1cccc2ccccc12 408797837 TXAXRZBNEVPSIC-PXLXIMEGSA-N 450.494 5.679 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(C)c(C)c1 408808559 QFKRXJGRJYZYFF-WSDLNYQXSA-N 460.961 6.399 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 408817898 UTVDIWZULGZEGI-YBFXNURJSA-N 497.378 6.525 50 40 JKGB Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4cccc(C)c4)cc3)cc2)cc1 408834006 SPJWAROXBFCDTF-TURZUDJPSA-N 488.587 7.007 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2cccc(F)c2)cc1 408867489 KCOZYQOFAZPFBY-CPNJWEJPSA-N 465.322 5.733 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc(Br)c1OC 408869164 RLIOPHYWNAGCDL-VULFUBBASA-N 499.430 5.664 50 40 JKGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(OCC(C)C)cc2)c(Br)c1 408891225 NDXKLQVNDFTLRF-MHWRWJLKSA-N 492.211 6.101 50 40 JKGB Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccccc1C(C)C 408913616 VRSVCTDDNHHACO-AJBULDERSA-N 465.597 5.604 50 40 JKGB CC(C)Oc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 408936064 FEYGDAPEPXPUFM-YVNNLAQVSA-N 480.156 5.509 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)n3nc(C)cc3C)c2C)sc2c1CCCC2 408978900 OIDCZILZSGAYHS-DEDYPNTBSA-N 476.602 5.272 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1cc(Cl)ccc1Cl 408996651 LZTQNHOOHYCFLT-OPEKNORGSA-N 450.753 5.583 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc5ccccc5c4)cc3)cc2c1 409186573 DYEJHNQXBRAHMA-YKQZZPSBSA-N 464.521 6.328 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 409215876 GAFZALSUXASILX-WQRHYEAKSA-N 469.722 6.654 50 40 JKGB O=C(NN=Cc1ccccc1OC(=O)c1ccco1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 409219092 NCRJSIKQACMNKE-UHFFFAOYSA-N 487.899 5.168 50 40 JKGB Cc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3cccc4ccccc34)cccc2[N+](=O)[O-])c1 409225458 PXPKHFVROQKGHQ-YUMHPJSZSA-N 453.454 5.040 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Br)c2)cc1 409255614 IEDJMOCCMNZUBU-VYYCAZPPSA-N 494.389 5.156 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1OC 409317682 RTFZASSETBRCDV-MBTHVWNTSA-N 487.383 6.134 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(I)cc2)c2ccccc12)c1ccccc1 409362382 JGIOKTDNPOLHBR-ZHZULCJRSA-N 460.318 6.358 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1OCc1ccc(C)cc1 2143413 QMVRIKJAQCPXBQ-NDEPHWFRSA-N 462.549 6.344 50 40 JKGB C=CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)c(C(=O)OCC)c1C 2438252 JBMXQHXAMNLDPO-VBKFSLOCSA-N 497.573 5.815 50 40 JKGB N#CC(C(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1)=C1Nc2ccccc2N1 3272081 HMPQSWCBQZBURI-UHFFFAOYSA-N 458.524 5.023 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc(C)cc1 4196419 HXKLXHMIVYJZEN-CIAFOILYSA-N 491.385 6.199 50 40 JKGB CCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccc(NC(=O)CC)cc2)c2ccccc2n1 8455930 UJVLIZYXRCMTEF-BIZUNTBRSA-N 480.568 5.803 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 8812934 KWHOZCILWSYAGG-LQKURTRISA-N 489.369 5.954 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1Cl 8860884 SJULAIQJMJMENB-NTCAYCPXSA-N 482.279 5.666 50 40 JKGB O=C(CCl)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(Br)cc1 9066756 CXRHMHAKZPJNKS-INIZCTEOSA-N 456.565 5.128 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 9202983 KTWPINLEMSXYKV-FOKLQQMPSA-N 452.135 5.709 50 40 JKGB Cc1nc(SCC(=O)C(C#N)=C2Nc3ccccc3N2)c2c(-c3cccs3)csc2n1 9882830 HNVMWSAJWIXGOH-UHFFFAOYSA-N 461.597 5.662 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 13388091 KSYICUIFZVDTCC-LDADJPATSA-N 467.403 5.738 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1cccc(C(F)(F)F)c1 14361457 CVEPLCGGEHYSOL-UJXHEIMFSA-N 472.507 5.895 50 40 JKGB CCC[C@@H](Br)C(=O)Nc1nc2ccc(OCc3ccc(Cl)cc3)cc2s1 20132736 ALLXJHQVBGBQGG-OAHLLOKOSA-N 453.789 6.031 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccccc1C#N 20760916 APRHQSZJRLBLPJ-JFLMPSFJSA-N 478.346 5.062 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 32520745 YKTRHJVYTKBAFZ-DHRITJCHSA-N 451.548 5.257 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccc(Cl)cc1 33406758 TZHXEBLQMXGXGT-IUXPMGMMSA-N 487.770 6.780 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccccc4C#N)c(Br)c3)[nH]c2c1 33751945 XJRQGAOWPXIQFS-JAIQZWGSSA-N 469.342 6.149 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)Sc1nc2ccccc2s1 33762164 JCATXYNXGUQNSH-XQNSMLJCSA-N 450.588 7.685 50 40 JKGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)C(=O)N1CCN(c2ccccc2)CC1 59332930 GTPVGUNFCAEWPC-VBKFSLOCSA-N 497.338 5.417 50 40 JKGB Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 67196990 KIZGFZGZWZIHQS-YCPBAFNGSA-N 472.155 6.398 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(Cl)cc1Cl 83297340 ZLHDOGNALYFWAL-ROTLSHHCSA-N 478.173 6.099 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C#N)cc2)c(C#N)c1C 408547177 TWARVKZWPOEVHD-WSDLNYQXSA-N 495.560 5.274 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1OC 408580108 AHEHTYBEXJGBOR-QGMBQPNBSA-N 458.316 6.793 50 40 JKGB Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)NC(C)C)cc2Br)c1 408779393 WAXULXMGVXQJKO-IUXPMGMMSA-N 492.211 5.531 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408788475 KHEGWDBJJZGPQY-XIEYBQDHSA-N 494.978 7.044 50 40 JKGB CCOc1ccc2ccc(OCC)c(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)c2c1 408788865 MQJWPAGWIIPMNB-HKOYGPOVSA-N 492.575 6.762 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1cccc2ccccc12 408793710 QAMPKXOFBQHTEE-PXLXIMEGSA-N 468.940 6.626 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1c(C)ccc2ccccc12 408814825 WHDOIOYAHSNYBE-KOEQRZSOSA-N 476.576 6.980 50 40 JKGB Cc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)c1C 408826928 DPWJGOFPUJKBDE-AJBULDERSA-N 453.630 5.830 50 40 JKGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)o2)cc1 408843857 FYTLZBQYCHHAGC-MSXFZWOLSA-N 467.275 5.006 50 40 JKGB CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 408857050 MUWLWAGYAVNQEI-YKQZZPSBSA-N 487.987 6.277 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc2ccccc12 408881521 NSRBUKQKWBMMCQ-WKULSOCRSA-N 479.363 6.498 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408882262 OEJSUYGIJZHTAR-KGENOOAVSA-N 483.911 6.526 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408887155 OLHDVMAEKZBLAC-CXUHLZMHSA-N 486.286 6.165 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OC(=O)c1ccccc1 408898556 WWNFBSRNULXYJR-LDADJPATSA-N 495.760 6.176 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c(C)n1-c1ccc(Br)cc1 408926153 VOKCJMNXGFQJDD-LFIBNONCSA-N 489.200 6.709 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 408955382 YAJSXYBRQSPJBI-WKULSOCRSA-N 488.975 5.617 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c1C 409021349 COOHTPMJDKIYHB-ZRGSRPPYSA-N 456.329 5.920 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OC)c1OCc1cccc(Cl)c1 409075640 ZITMKLGBIVVOGK-OEAKJJBVSA-N 472.972 6.510 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 409191538 YPFVECWXOXIFPE-HAHDFKILSA-N 474.557 5.057 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)NCCCc1ccccc1 409243316 XLPUSEQIVWAWGJ-JCMHNJIXSA-N 493.376 5.823 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cc(Cl)ccc1Cl 1805774 VNRULOWZGXDUEY-YRNVUSSQSA-N 485.676 7.471 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)nnc1-c1ccc(Cl)cc1 1855717 DQFNEYOJQUDKJY-AFUMVMLFSA-N 456.015 5.158 50 40 JKGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc(SC(F)F)cc1 3251309 ZIDASHSEESWVAR-XDJHFCHBSA-N 472.520 6.400 50 40 JKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)(F)[C@H](F)Cl)n2)cc1 9057797 FVZOOBHJHGRJRP-HKRNCWMRSA-N 491.966 7.491 50 40 JKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c(C)c1 9185859 OJXLINJGUYLJLW-LFIBNONCSA-N 478.371 6.272 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCc1ccc(F)cc1 9202333 BDFSKJPLQPUDHE-MZJWZYIUSA-N 485.353 5.638 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cccs1 9232975 SFTQFTXTKUZBOJ-LQKURTRISA-N 489.984 5.997 50 40 JKGB CCc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C(=O)OCCN(CC)CC)cc3)n2)cc1 9375640 HTZPJLRRZGTZSJ-NKFKGCMQSA-N 474.630 5.848 50 40 JKGB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)c1ccc(COc2ccccc2)cc1 9783433 FSSIFYQSHMSKTD-WKULSOCRSA-N 476.939 5.375 50 40 JKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cc(Cc3ccccc3Cl)ccc2O)cc1 10059576 JYIWDYISEZUABQ-GBYSFBBLSA-N 450.966 5.679 50 40 JKGB O=C(COc1ccc2ccccc2c1Br)N/N=C/c1ccc(Cl)cc1Cl 12575811 YTDRIIRAIQFLQL-AUEPDCJTSA-N 452.135 5.438 50 40 JKGB COc1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1 13940410 PVWNCNKLGQOMRX-CPNJWEJPSA-N 497.378 6.314 50 40 JKGB COc1cc(/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(C(C)(C)C)cc1 31783785 ZFOWIWNPHLAORU-XYGWBWBKSA-N 475.610 6.219 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc(F)c1 33778905 QEXQAUYBXMCIJX-LSCVHKIXSA-N 483.293 6.148 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccccc1 59254857 QRPKZOKRLUOOEU-HAVVHWLPSA-N 462.505 6.003 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1ccccc1 59536211 XIZUNKBMMWYDDX-JVWAILMASA-N 459.343 5.945 50 40 JKGB CCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F 103528425 CYWSVEJCARSSKP-CQSZACIVSA-N 492.301 8.324 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 109029117 GUVADXICHVBYOK-ZDLGFXPLSA-N 469.722 6.654 50 40 JKGB CCOC(=O)c1c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cccc1OC(C)=O 138215428 FDJMCYVXTSBUIU-UHFFFAOYSA-N 483.524 5.283 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1 216045211 WQCCMRZXXCHGEX-FDVSRXAVSA-N 485.411 6.281 50 40 JKGB CCCCCCCCOc1c(Br)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OC 408539244 GFYXJQRBNLAVKH-XSFVSMFZSA-N 487.394 7.169 50 40 JKGB C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(Cl)cc1 408581904 ZVGNPDKBWSRZEW-RIYZIHGNSA-N 453.561 6.494 50 40 JKGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)c1C 408611011 PKNIFOKNBODQQA-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB Cc1cc(/C=N\NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 408676081 DWSACKDSGWWLSJ-DICXZTSXSA-N 455.389 5.765 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1Cl 408726604 UGFGUHVRXUYDCL-WQRHYEAKSA-N 463.877 5.381 50 40 JKGB COc1c(Br)cc(/C=N/NC(=O)c2cccc3ccccc23)cc1Br 408764353 TWHPCSYIQANFQX-SSDVNMTOSA-N 462.141 5.137 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cn(CCSc3ccc(Cl)cc3)c3ccccc23)c1 408776386 NNPBYMVTHVAATM-SILNSSARSA-N 472.013 6.941 50 40 JKGB Cc1cc(Br)ccc1NC(=O)/C(C#N)=C/c1cc(C)c(OCc2ccc(F)cc2)c(C)c1 408844596 DTKFUCPCHLRNIZ-FYJGNVAPSA-N 493.376 6.638 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OS(=O)(=O)c1ccccc1 408889679 IXDGVVDITIALCB-LTGZKZEYSA-N 484.533 5.162 50 40 JKGB C=CCOc1cc(Br)c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OCC 408962389 HZERFNIEAADNOL-BRJLIKDPSA-N 471.273 5.195 50 40 JKGB COc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br 409037421 CHXQVKFNGBETOL-VYYCAZPPSA-N 494.776 6.090 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 409050725 YZMNKRNTQTZNNN-DEDYPNTBSA-N 489.959 5.610 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OS(=O)(=O)c1ccccc1 409072539 SNULXZJQRIJXEJ-CJLVFECKSA-N 490.537 5.554 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(Br)cc1OCc1ccccc1 409127674 FJUDEEOLGJFDCU-DEOSSOPVSA-N 493.357 5.351 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)NC1CCCC1 409193381 JQRPZCMCDMXPBR-MTJSOVHGSA-N 465.380 6.691 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(C)cc(C)c3)c2C)sc(C)c1C 409195201 PXCGTGYBKOKRPW-CIAFOILYSA-N 461.587 5.722 50 40 JKGB Cc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Br)cc2)c1 409224844 MOGANRNWZYRBRR-MXAYSNPKSA-N 471.738 5.394 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)NCCCc1ccccc1 409240783 HXSKRRBWOBXWEP-JCMHNJIXSA-N 488.418 6.652 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1Cl 409249218 GUPDTUVLJPXKAE-RGVLZGJSSA-N 494.378 5.543 50 40 JKGB CCCC[C@H](CC)Cc1cc(/C=C2\C(=O)c3ccccc3C2=C(C#N)C#N)sc1Br 1776010976 NDINSVBBAYQCRJ-GLFIFPSUSA-N 479.443 7.350 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CCCC2 1789158 GIHXUMSCKOGNTK-DTQAZKPQSA-N 491.525 5.517 50 40 JKGB CCCCOc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2Br)cc1 3167649 XVPKQRLSPOVJFL-MFKUBSTISA-N 455.352 5.310 50 40 JKGB C[C@H]1CCc2sc(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)cc2C1 3380781 OPJZHKFLMAXIFA-DSWROXKMSA-N 480.593 6.236 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2ccc(F)cc2)c(Cl)c1)OCO3 3628370 CPJHESIPDAKYBV-QHCPKHFHSA-N 450.853 5.005 50 40 JKGB CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1 8817375 DQOYRQCWRMAZAM-JVWAILMASA-N 498.052 5.745 50 40 JKGB CCCCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1 20347633 YEEYLKVMURZPLU-VWLOTQADSA-N 491.613 5.106 50 40 JKGB Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)cc2c1O[C@@H](C)C2 27579566 NFHGQXGZDPYELG-LORYXUCWSA-N 471.564 6.122 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 32194013 FUFOMELWGLJXDS-AQTBWJFISA-N 458.430 5.403 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(C(C)C)c3C)o2)cc1 35148001 PBCUKSSQJOUQBP-MWLSYYOVSA-N 472.589 6.029 50 40 JKGB CCN(Cc1ccccc1)c1ccc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 96398822 PVNRPLHBBSJLQP-ZHZULCJRSA-N 483.921 6.931 50 40 JKGB CCCCCCCCCCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(CCCl)cc2)cc1 98001396 RJSGRWLINYVGOM-UHFFFAOYSA-N 493.113 6.529 50 40 JKGB COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)N=C3CCCC(O)=C32)ccc1O 104148527 ATDIKSNJLRLGHU-QHCPKHFHSA-N 495.988 5.695 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1Cl 105055107 CAYMLCIOXOTAIT-BCHBDCPOSA-N 498.193 6.652 50 40 JKGB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](Br)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118934640 XSXHTVGXMMGURA-LPPQQDIISA-N 483.575 6.813 50 40 JKGB CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(C)C)cc3)o2)cc1 252499280 RYEXUDIQNASAQS-HAVVHWLPSA-N 456.542 6.573 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCc1cccc(F)c1 408581062 TZUVQYLKPVHJKJ-UDWIEESQSA-N 452.323 6.630 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 408746310 RRZLKHXDJBRFJX-JCMHNJIXSA-N 468.940 6.626 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Br 408790089 NKUJOQKFZVZUEI-XSFVSMFZSA-N 477.358 5.972 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(F)c3)c3ccccc23)cc1 408791877 DPXXUIFUJKECQQ-XSFVSMFZSA-N 453.473 5.161 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 408792786 CONYFEADPQNIRW-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1 408795028 UMAXRYQIKSHRKF-QGOAFFKASA-N 467.750 6.227 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OC 408827770 MEXULTUSKYDDFM-WOJGMQOQSA-N 483.351 6.135 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1Cc1ccccc1F 408872764 IISZTSCKMGRNPM-FYJGNVAPSA-N 462.952 6.577 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cc(C)cc(C)c2)cc1 408879434 DKVKPKDVMSVAEG-FYJGNVAPSA-N 491.385 6.199 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1Cc1ccccc1F 408879643 CCYDGLBGJUFUCG-GIJQJNRQSA-N 469.343 6.586 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccccc1 408880415 JSKLCMOYMXXXPI-QGOAFFKASA-N 481.335 6.157 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3cccc(Br)c3)c2C)c(C)c1 408932980 GGCQAKCLVVDPEH-MXAYSNPKSA-N 483.366 5.107 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1cccc(F)c1 409135622 ZKIPMNAANISDQQ-QFIPXVFZSA-N 497.320 5.100 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccccc1Cl 409240743 VDGYCAJLKUGZHT-HMAPJEAMSA-N 495.406 6.237 50 40 JKGB Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1Cl 409264776 RZQDQLBAWUJSLN-BKUYFWCQSA-N 473.960 5.828 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1OCC 409319143 AWQXZNUMQXLLLI-MBTHVWNTSA-N 470.928 5.619 50 40 JKGB N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)[nH]c12 409398568 UQSHMQHYAMEGSF-UHFFFAOYSA-N 474.476 5.283 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 1454117 BOHJMKVXPCXJFS-SFQUDFHCSA-N 480.376 6.846 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1Oc1nc(Cl)ncc1F 2309638 IMOXLDMZYNPEGY-KVSWJAHQSA-N 480.883 5.083 50 40 JKGB CC(C)(C)[C@@H]1CCc2nc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc(Cl)cc4)o3)sc2C1 3207593 LGEVCIOOVXTHIX-NWNNTGRJSA-N 466.006 6.753 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCC(=O)c3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 9014915 UZPJHGQTZUJKRR-XMMPIXPASA-N 493.028 6.030 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc(OCC)c1OCc1ccccc1C#N 9263133 JLLBTTXVUQJVJE-MFKUBSTISA-N 493.563 5.819 50 40 JKGB O=C(N/N=C/c1cccc(OCCOc2ccc(Br)cc2)c1)c1cccc(Cl)c1 9724216 QWEUSXAHPSLYQO-MFKUBSTISA-N 473.754 5.324 50 40 JKGB Cc1ccc(C)c(OCCn2cc(/C=C(\C#N)C(=O)NCc3cccs3)c3ccccc32)c1 13124093 YFOHMWWHKGWRLV-RCCKNPSSSA-N 455.583 5.622 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)SCc3ccccc3)c2C)c(C)c1 20243845 DRKYEUKHNXTCAQ-RXJBCPCZSA-N 498.490 6.245 50 40 JKGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 30743138 FKWMTZDBTQIMED-QRQIAZFYSA-N 476.577 5.628 50 40 JKGB Cc1ccc(-c2csc(N(NC(=O)Nc3ccc(Cl)cc3)C(=O)NC3CCCCC3)n2)cc1 33431806 OZFPLTNMTYPDRP-UHFFFAOYSA-N 484.025 6.357 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OC(C)C)c(OC)c1 33769864 KJYLCBLSNBSJAN-DHRITJCHSA-N 471.351 5.171 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)c(C)c1 59201827 NEDWLKLOLPJPJM-UDWIEESQSA-N 451.353 6.735 50 40 JKGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Br 59432615 XOFHHCVKZSCHMU-VGOFMYFVSA-N 464.157 5.383 50 40 JKGB Cc1cc(OCC(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)cc(C)c1Cl 67192501 ITTZAXQETWTIQX-WKULSOCRSA-N 459.977 5.797 50 40 JKGB CCCCCN1C(=O)/C(=N/NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c2ccccc21 102980204 PZKUBKBDDRLNSF-SLEBQGDGSA-N 471.586 5.066 50 40 JKGB C(=C\c1ccccc1)\C=N/c1ccc(SSc2ccc(/N=C\C=C/c3ccccc3)cc2)cc1 104313860 UTZIQCCOURHJMP-WVLSSWFLSA-N 476.670 9.317 50 40 JKGB C[C@@H](Cc1cc(=O)c2c3c(c4ccccc4c2o1)O[C@@H]1CC(=O)O[C@H]31)O[Si](C)(C)C(C)(C)C 195752309 JGZYPNASVFRGCR-FSKGLPCWSA-N 466.606 5.648 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1OCC 408540388 RDSRTQVIEHDBEK-LQNQUEJISA-N 498.973 7.261 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1cccc([N+](=O)[O-])c1 408549501 UQBUDBPIUZGBDT-QFEZKATASA-N 450.494 6.790 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)COc3ccc(C4SCCS4)cc3)c2C)cc1 408570686 XOHLGPBLBFONGP-YSMPRRRNSA-N 465.644 5.410 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1ccccc1F 408790049 MTKIJTFFBUHTOM-FYJGNVAPSA-N 478.951 6.565 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)ccc1OCc1ccccc1C#N 408808965 GODYZGOLUXTOPQ-OEAKJJBVSA-N 467.525 5.399 50 40 JKGB Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1 408861408 RRXSTVGLSZGBDS-STBIYBPSSA-N 454.595 6.111 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(Br)c2)cc1 408876134 NJAMVDXSEHWSIV-DEDYPNTBSA-N 479.349 6.123 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1OS(=O)(=O)c1ccc(C)cc1 408881140 JUIPFHTVLONOBG-CPNJWEJPSA-N 496.972 5.279 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1OCc1ccccc1Cl 408886834 JEAVEZHHYDXDCH-FYJGNVAPSA-N 495.406 7.079 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1ccc2ccccc2c1)c1cc2cc([N+](=O)[O-])ccc2o1 408905370 XYUIEXHPLQMGKZ-NTFVMDSBSA-N 465.465 5.837 50 40 JKGB CC[C@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 408945213 NEXDNJDJBGSDJU-UKVYPSSKSA-N 481.596 6.403 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408948853 RPFDLWRCZOFFIE-JFLMPSFJSA-N 460.921 5.000 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1 409008673 ZQOJCESVCNWZHX-HYARGMPZSA-N 469.541 5.184 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)Cc2cccc(Cl)c2)cc1 409074672 WQOCJXYICXNXID-LQKURTRISA-N 498.048 5.113 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(I)cc1)c1ccc(Cl)cc1 409193646 KSIGNEHFQSZOAQ-ZMOGYAJESA-N 490.728 5.288 50 40 JKGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)c(Cl)c3)=C2C#N)cc1 409311367 GBNAVTNIEKJQSD-MRXNPFEDSA-N 476.385 5.103 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(OC)c2)ccc1OC 409320409 BBKJFHQDLVHLDH-DICXZTSXSA-N 468.937 5.099 50 40 JKGB NC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 409383844 KKIXEEPGFHKYCK-AERZKKPOSA-N 495.986 5.100 50 40 JKGB COc1cccc(OC)c1OCc1cc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)cc1C 651001 GJHJTVOQFVWSJP-AJTFRIOCSA-N 494.595 5.493 50 40 JKGB COc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)NC2=C1C(=O)CCC2 2312168 XKEPSIVOUOGOHX-QHCPKHFHSA-N 479.989 5.150 50 40 JKGB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1 2801572 VXPKHPDKTZPLHI-DHRITJCHSA-N 489.538 5.111 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 3186292 XKXXBUBGVPERAV-GZTJUZNOSA-N 491.485 6.973 50 40 JKGB Cc1cc(SCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)c(C)cc1Br 3233005 YELUKKNZFBEDMX-BHGWPJFGSA-N 491.842 5.456 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc(-c2ccccc2)nn1C12CC3CC(CC(C3)C1)C2 8768135 PZTOVVPSULXXFD-DIOYHEGGSA-N 494.639 5.926 50 40 JKGB CCOc1cc(C(=O)N/N=C/c2sc(Nc3ccccc3)nc2Cl)cc(OCC)c1OCC 8826362 LYTFPRIQDUYPPK-AFUMVMLFSA-N 488.997 5.500 50 40 JKGB COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccccc3)n2-c2ccc(Cl)cc2)cc1 9322344 ONDXJRCWHIIXNE-WPWMEQJKSA-N 492.004 5.229 50 40 JKGB C/C(=N/NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1Cl 9849594 XMURCHIEJBPESV-PKAZHMFMSA-N 454.357 5.979 50 40 JKGB N#CC1=C2SCN(c3cccc(Cl)c3)CN2C(=O)C[C@H]1c1cccc(OCc2ccccc2)c1 12251009 NQNHXPONNIWRBG-DEOSSOPVSA-N 488.012 6.138 50 40 JKGB N#C/C(=C\c1cc2c(cc1Br)OCO2)c1nc(-c2cc3ccccc3oc2=O)cs1 12483653 PWMGSDVOFJZJCM-LHHJGKSTSA-N 479.311 5.472 50 40 JKGB O=C(N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)[C@H]1COc2cc3ccccc3cc2O1 15938489 CGNGUCFRMGZOHA-ZPIQXASCSA-N 466.415 5.409 50 40 JKGB Cc1ccc(/C=N/NC(=O)c2ccc(CN(c3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)cc1 19926518 JWNHCRPJUALEFJ-VULFUBBASA-N 490.412 5.032 50 40 JKGB Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)COc2ccccc2)c1C 20243707 WZZSDTDILFZQBZ-DHRITJCHSA-N 454.368 5.003 50 40 JKGB CCCCSC1=C(C#N)[C@@H](c2cc(OC)c(OC)c(OC)c2)C2=C(CC(C)(C)CC2=O)N1 20347718 YDOHZOKUAMWYRF-OAQYLSRUSA-N 456.608 5.311 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1 27017787 FUDVOCKSPJALHW-FCDQGJHFSA-N 492.579 6.272 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)cc1 28216141 NZBLITUVQCRZRH-WYMPLXKRSA-N 456.955 5.039 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1 33409294 RIXZTWFHJHEVDD-WQRHYEAKSA-N 454.357 6.345 50 40 JKGB O=C(NN/C1=C(\C(=O)C(F)(F)F)CCCCCCCCCC1)c1cccc(Br)c1 59488976 IZPRFLYWCWRDRQ-ZCXUNETKSA-N 475.349 5.984 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1ccccc1F 59536794 OBEAEOCPYPYABL-RPPGKUMJSA-N 491.744 5.593 50 40 JKGB CCCCCCCCCCCCCCCCCC(=O)c1c(CCl)[nH]c(C(=O)OCC)c1C 100100461 ZOYNAZNBRGRWRH-UHFFFAOYSA-N 468.122 8.683 50 40 JKGB CC(C)C[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N=C2CCCC(O)=C21 102037080 QMRXQSNTMWYCCD-INIZCTEOSA-N 474.424 5.969 50 40 JKGB COc1ccc(P(=Nc2ccc(Br)cc2)(c2ccccc2)c2ccccc2)cc1 102147370 TWBGPIKMHDSFMG-UHFFFAOYSA-N 462.327 6.267 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(Cl)cc1Cl 408603691 GUAVBZHRZOANPP-MHWRWJLKSA-N 493.350 5.960 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1 408711641 CPBHEXANKHFACV-STBIYBPSSA-N 459.977 5.743 50 40 JKGB C=C1CC(C(=O)N/N=C\c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)C1 408730291 FLTVOPYLVHGNMS-DXJNIWACSA-N 465.984 6.881 50 40 JKGB Cc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(C)(=O)=O)cc1Cl 408783546 OHMOQVPNOGZPFO-UHFFFAOYSA-N 456.052 5.191 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1cccc(C)c1 408792479 AGPUQIVFTDJGMU-FYJGNVAPSA-N 491.385 6.281 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408798641 WMSLCRPJJZZMRR-UDWIEESQSA-N 491.931 6.080 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1 408800350 OHWPZSQWWPONQG-GZTJUZNOSA-N 468.296 6.026 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccccc1Cl 408803089 LEBXIKGJPZKKBW-CPNJWEJPSA-N 450.897 6.002 50 40 JKGB C#CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC 408842347 JCVGCCNNPIJEDK-STBIYBPSSA-N 496.592 5.647 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1Cc1cc(C)cc(C)c1 408865957 CUHCCWAPGPCRHW-RGVLZGJSSA-N 493.376 6.350 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1Cc1cc(C)cc(C)c1 408882028 OUVHFINMBDXYKJ-LPYMAVHISA-N 474.988 6.501 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2Cl)cc1 408893822 GADFPAFLAZCCGE-DEDYPNTBSA-N 480.973 5.579 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1Cl 408983446 MEMKGNAPCOVSQF-HAHDFKILSA-N 475.979 7.350 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OC)c1OCc1cccc2ccccc12 409069112 VBTUYKZFSVFARC-KOEQRZSOSA-N 472.544 7.361 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1 409237699 BGGAWCQKSFBALP-OOAXWGSJSA-N 460.577 6.383 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 409351411 SVRDTSQGFFFMTR-ODLFYWEKSA-N 458.772 7.689 50 40 JKGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 1790242 RXSDVIRMXYPBNU-BAOGPQIGSA-N 465.333 5.122 50 40 JKGB COc1cc(/C=N/c2cc(Cl)c(N=O)c(Cl)c2)ccc1N(CCCCl)CCCCl 5124368 DTYDGVOTISRQBB-DHRITJCHSA-N 477.219 7.215 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(C(=O)O)cc1 9261799 WOZYBUKHXOPTNY-LPYMAVHISA-N 456.498 5.135 50 40 JKGB COc1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)[nH]c2c1 9263622 GAEWBMCBLHGDFI-WOJGMQOQSA-N 453.571 5.855 50 40 JKGB C/C(=N\NC(=O)[C@H]1CC1(c1ccc(C)cc1)c1ccc(C)cc1)c1cccc(Br)c1 12447650 JDMBWIWDUKRXEV-WBTXMKEXSA-N 461.403 5.912 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1Cl 12555872 DSXZIEBATXEPDY-CPNJWEJPSA-N 477.904 5.772 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccncc2)cc(Cl)c1OCCOc1ccc(C(C)(C)C)cc1 13940791 FCGGXCJICQUBNX-STBIYBPSSA-N 481.980 5.263 50 40 JKGB CCc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2cccc(C)c2)c2ccccc23)cc1 20558653 OYOLJQTVBMJGQR-RUZDIDTESA-N 483.593 5.084 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc2ccccc2c1)C(=O)N1CCN(c2ccccc2)CC1 59333360 SKTSSZYHXPMTKZ-HFTWOUSFSA-N 473.576 5.675 50 40 JKGB C[Si](C)(C)O[C@](CC(=O)c1ccc(Cl)cc1)(c1nc2ccccc2s1)C(F)(F)F 195568274 YKRUPYCQNYQAKP-LJQANCHMSA-N 457.977 6.832 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 207844016 VSXKHQPFSKBZLM-PDGQHHTCSA-N 463.877 5.381 50 40 JKGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 408615143 MMXVUAVULRSICZ-MZJWZYIUSA-N 470.356 5.224 50 40 JKGB COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3C)n2)cc1 408723954 BAXGMPMZVMGZGK-ZCTHSVRISA-N 488.547 5.551 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc(Cl)cc3)cc2-c2ccc3ccccc3c2)c1 408727733 XGTPIEBDIQEOQX-UXHLAJHPSA-N 464.956 6.418 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OC(C)=O 408757920 DUCMKBALTAEJCJ-WUXMJOGZSA-N 484.133 5.235 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 408760158 SOKDNVQGDHWPTG-PDGQHHTCSA-N 480.351 5.865 50 40 JKGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1 408762933 CPABYLTVPVSADW-VUTHCHCSSA-N 480.545 5.525 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OCc2ccc([N+](=O)[O-])cc2)c1 408815322 QAUXDRSZZNPQNZ-LICLKQGHSA-N 498.322 6.035 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1Cc1ccccc1Cl 408873921 XFKHKBDIUWBJAH-UDWIEESQSA-N 451.353 6.529 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(Cl)c2)c1 408875901 MHQFXRHNXCBGIN-UDWIEESQSA-N 465.778 6.547 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1Cc1ccccc1Cl 408877088 SOTVZOYGCNKMGU-HYARGMPZSA-N 474.944 5.662 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2ccccc2Br)cc1 408878082 ZLLSGDKKDFNBOX-DEDYPNTBSA-N 477.358 5.603 50 40 JKGB CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OC 408878982 AACRKTDCHTUUNO-GZTJUZNOSA-N 490.341 5.197 50 40 JKGB COc1ccc(C(=O)Oc2c(Cl)cc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2OC)cc1 408886100 IACLPDCFFZRGNY-MUFRIFMGSA-N 488.927 5.494 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1 408979960 OXJDDDMOUSTYPM-QRGYCXFASA-N 495.579 5.746 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409075639 SOKKYGBQRUBWGE-NBVRZTHBSA-N 482.945 5.052 50 40 JKGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 409177834 HXRONWJSSNHJTK-LGJNPRDNSA-N 462.893 5.024 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1 409183819 SYOQWXUWJPGHST-OGLMXYFKSA-N 473.370 5.874 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 409188546 CXPXJQMWNSOFDG-BKUYFWCQSA-N 499.438 6.665 50 40 JKGB COc1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4ccc(I)cc4)c3C)[nH]c2c1 409392842 SJWPMWAFGSBSNN-GZTJUZNOSA-N 494.336 5.648 50 40 JKGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)[C@@H]2CCCC=C12 1085019 XRHRIXOKQSCKNC-YKSBVNFPSA-N 485.931 5.421 50 40 JKGB COc1ccc(C(=O)N[C@H](C(Cl)(Cl)Cl)P(=O)(c2ccccc2)c2ccccc2)cc1 1738796 BXLIZGLXFVOLCF-NRFANRHFSA-N 482.731 5.135 50 40 JKGB Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1 1773240 RRUGWCPMLCBJHZ-LDADJPATSA-N 451.309 6.067 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@@H](Nc1cccc(C(F)(F)F)c1)c1ccccc1 2050609 LUBOTWPFPHMVQT-RUZDIDTESA-N 451.428 6.830 50 40 JKGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 3082073 YZNUBRIALBMCLW-DHRITJCHSA-N 469.950 5.211 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1cccc2ccccc12 8837134 UOXLJKHOSJBWAF-MWAVMZGNSA-N 491.620 6.028 50 40 JKGB C/C(=N\NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1)c1ccc(-c2ccccc2)cc1 9375157 UBBKTKHSSDFRFU-WEMUVCOSSA-N 486.575 6.477 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 9907420 GBUUKMPHSMGWHZ-UNOMPAQXSA-N 467.352 6.517 50 40 JKGB C/C(=N\NC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1)c1ccc(N2CCOCC2)cc1 12546874 GYBQEYDJBKCPDF-ZTKZIYFRSA-N 477.992 5.218 50 40 JKGB Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c(C)c1 12598921 CUGAHDHPOKAMFM-CIAFOILYSA-N 451.492 6.584 50 40 JKGB CCOc1ccccc1OCC(=O)N/N=C/c1cc(/N=N/c2ccccc2Cl)ccc1O 20100917 DGCZTVRTLJVDDE-VEVCQMGESA-N 452.898 5.389 50 40 JKGB Cc1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3cccc4ccccc34)cc2)c(C)c1 30843573 YJJFGJTWOHBOPY-RHANQZHGSA-N 452.510 5.205 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1ccc(C)cc1 33546704 VPBIVTRLAUFMOK-NDENLUEZSA-N 466.350 6.939 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 59116938 RWSMQQJNACQUOC-UYRXBGFRSA-N 467.352 6.517 50 40 JKGB C(=N/c1ccccc1)\c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 97983176 IJYDHLJYQGEXHB-WGPBWIAQSA-N 456.529 7.246 50 40 JKGB CCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F 103528383 VEGPIMXOFZZOOO-CYBMUJFWSA-N 478.274 7.934 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1Cl 107849974 VPTPMFYFMUMMMF-XSFVSMFZSA-N 459.417 7.587 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 108271949 DMRNYIMIFUSVDD-BRJLIKDPSA-N 455.967 5.150 50 40 JKGB CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccccc1)[C@H]2Br 257173502 PFHGIHOSLHPVPM-UVBJJODRSA-N 480.038 5.311 50 40 JKGB CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1 408538490 NTWWPYCWVZRAOU-COEJQBHMSA-N 498.652 7.277 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(Cl)cc1 408570953 ZTKLFPFEWHFNKT-WGARJPEWSA-N 486.062 5.755 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1OC 408581680 YUJHLESJHYYEGJ-YBFXNURJSA-N 484.777 6.763 50 40 JKGB C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(OC)c(OC)c1 408582653 OMRKKFFYKDXSNG-OVCLIPMQSA-N 479.168 5.858 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)c(Br)c2)c1 408745787 VPYGBQVOVXJJMS-UNOMPAQXSA-N 465.322 6.021 50 40 JKGB COc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1Br 408760204 ULVUEAFJHMJGJW-IFRROFPPSA-N 480.971 5.291 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc2ccccc12 408764844 NKNQQAZAHXXOCJ-LTGZKZEYSA-N 481.939 6.056 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(C)c(C)c1 408817770 UMCRBZMYHFMLNL-CIAFOILYSA-N 491.385 6.199 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1ccc([N+](=O)[O-])cc1 408879029 DVFBODVJEGFQMI-JVWAILMASA-N 455.470 5.100 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408882652 PXSVQIIVSGMZJB-LICLKQGHSA-N 457.744 6.771 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc2ccccc12 408887453 ONRGWQVZFDDFKR-PXLXIMEGSA-N 479.492 5.881 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Cl)c1OS(=O)(=O)c1ccccc1 408888650 YIUPYCHWDKGDDM-JVWAILMASA-N 494.956 5.033 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccccc1Br 408905552 ZEEBVVXMPUPHIO-MSXFZWOLSA-N 481.306 5.275 50 40 JKGB N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 408955852 UVRNYUFITVUVNR-ITYLOYPMSA-N 494.598 6.590 50 40 JKGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c1C 408982139 GFKFBCHPOSAZQM-WQRHYEAKSA-N 464.909 5.518 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 408998601 BKPNSOOCUOIKFD-LGJNPRDNSA-N 472.328 5.027 50 40 JKGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 409120677 VJFHPHCBYRMEGC-LGJNPRDNSA-N 473.381 5.596 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1 409178703 MTFNLZIFPWKUEH-OKCVXOCRSA-N 493.390 6.427 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c1OCc1ccc(C(=O)O)cc1 409187866 VFPYWPGUXDEDEU-MOSHPQCFSA-N 476.916 5.480 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2ccc(F)cc2)ccc1OCc1ccccc1 409312298 KQSBQCZGMKUZNT-MZFJOGFUSA-N 498.554 6.146 50 40 JKGB CN(C)c1ccc(/C=N/NC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)cc1 1808795 ASGKGIBMCMYQQW-GZZLJNBRSA-N 486.619 6.582 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccco1 2201329 LBWCAADLMJDIJR-HSZRJFAPSA-N 485.565 5.048 50 40 JKGB CCCCN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)c2ccccc21 2393273 BWYQMWGRNHUDSK-PMERELPUSA-N 487.563 5.058 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OC(=O)c1ccc(OC)cc1 2735899 UFXMNCHPQYHDCK-MZJWZYIUSA-N 487.339 5.384 50 40 JKGB O=C(O/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc21)C(Cl)Cl 3064287 KGSXWPRWQYGBLW-UCQKPKSFSA-N 466.535 5.245 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)[nH]c2cc1C 9235349 UWNDDAMLRCLOIR-CPNJWEJPSA-N 463.516 5.976 50 40 JKGB N#C/C(=C/c1ccc(F)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 9404388 ZOIFESODWBGLFD-AUWJEWJLSA-N 453.292 5.882 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC2CCCCC2)c(C)c1 16713685 UGOYNOPCBWHWCU-RELWKKBWSA-N 466.585 5.768 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 32654832 HESPGUNVIXLGGP-MBTHVWNTSA-N 479.964 5.137 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 33647872 IHRDYZMZBKHBGV-HMAPJEAMSA-N 491.393 8.183 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OCc1ccccc1Cl 59224709 UEERFJVZSIKCOP-LICLKQGHSA-N 498.322 6.035 50 40 JKGB O=[PH](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 97949992 KQXSBRPPJOOITN-UHFFFAOYSA-N 474.181 6.272 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCC(=O)NCc3ccccc3)N=C3CC(C)(C)CC(O)=C32)cc1 102535469 ZVZBRWQGZIOVKI-VWLOTQADSA-N 487.625 5.650 50 40 JKGB c1ccc(P(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2)cc1 104053161 WEYWXVVBIMUJMS-UHFFFAOYSA-N 461.485 6.212 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1F 107694911 DTILLUMHGKLQHF-GRSHGNNSSA-N 497.320 6.538 50 40 JKGB CCCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC 107701127 BYSUFQCHOCTROJ-WJDWOHSUSA-N 459.340 5.191 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCc1cccc(F)c1 209483491 POZIWURKKJQWFT-KEBDBYFISA-N 452.323 6.548 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc(C)cc1 408541903 FOJAHZACINRCGP-FYJGNVAPSA-N 466.541 5.578 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(I)c1OC 408544764 XOLDBXKFDCAXOY-OVCLIPMQSA-N 473.314 5.256 50 40 JKGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408567935 QQOGRKPXBMFBNH-BRJLIKDPSA-N 474.300 5.253 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1 408744962 IUFABKMDWQRXFL-ZDLGFXPLSA-N 497.334 5.825 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)cc1 408798985 XMNFBMBDXDHBLX-XSFVSMFZSA-N 469.928 5.675 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccccc1 408804345 XTJFFXVBNSCOFU-WOJGMQOQSA-N 481.321 5.721 50 40 JKGB Cc1cccc(Cn2c(C)c(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3C)c3ccccc32)c1 408812493 WRYKKEMYDAAAKZ-PXLXIMEGSA-N 453.973 6.814 50 40 JKGB Cc1c(Br)c(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccccc1 408853641 VTOZBWFJXKCCKQ-ATVHPVEESA-N 456.181 6.683 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)ccc1Br 408966340 LTLMFEIUOYSKAN-VYYCAZPPSA-N 476.378 5.869 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(F)c1 408967648 RJQYJOUWFOSTHK-XKJRVUDJSA-N 465.315 5.771 50 40 JKGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2OC)c1 408985336 LMCLEQJCJNINJD-WOJGMQOQSA-N 478.932 5.490 50 40 JKGB C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 409040099 FOUFXGWIYPXUQI-MDWZMJQESA-N 478.140 5.028 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2)c(C)c1 409045467 YQQPPKFJXUKRSM-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB Cc1[nH]nc2c1[C@@H](c1cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c1)C(C#N)=C(N)O2 409148978 VHHAVWJHJIZHNH-SFHVURJKSA-N 461.736 5.476 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(OC)c3)cc2c1 409189041 HPZSQZMFSCDGNB-NUJZUDFISA-N 496.922 5.976 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OCC)c1OCc1ccc(F)cc1 409233587 LEEAFOIUHDAUAP-DIBXZPPDSA-N 498.598 6.188 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4cccc(F)c4)c(Br)c3)[nH]c2c1 409392753 RQYCGEZWBQBLPJ-MFOYZWKCSA-N 478.321 6.116 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccc(C)cc2)cc1 935045 YDOHTUCUIYEGRE-OGCOBRASSA-N 488.012 6.022 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)cc(OC)c1OC 1059773 SPTILCQYJDCLGO-QFIPXVFZSA-N 499.489 5.036 50 40 JKGB N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 2553635 HSCSPEBTCZCVPO-VCHYOVAHSA-N 497.929 7.105 50 40 JKGB Cc1cccc(NC(=O)[C@]23CC[C@](C(Br)Br)([C@@H]2Br)C3(C)C)n1 8384966 SQFGIESILRVDDD-XZJROXQQSA-N 495.053 5.014 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(Br)ccc1OCc1ccc(F)cc1)OCO3 9296360 WALNXBIUHAYSGB-QHCPKHFHSA-N 495.304 5.114 50 40 JKGB CCCOc1ccc([C@H]2CC(=O)N3C(=C2C#N)SC[C@@]3(O)c2ccc(Cl)cc2)cc1OCC 9408624 GCDFMQNZLIBDGQ-KBMIEXCESA-N 485.005 5.171 50 40 JKGB CCCCc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OC)cc4OC)CC(=O)N3C2)cc1 9693526 CWKSXRPMDXHBHF-QFIPXVFZSA-N 463.603 5.266 50 40 JKGB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 13063433 MEBRTPAXXGKOME-LFIBNONCSA-N 454.910 5.930 50 40 JKGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 13174364 DIKCWLXLVKVLIO-HSZRJFAPSA-N 463.990 5.449 50 40 JKGB O=C(COc1cc(Cl)ccc1Cl)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 15930541 LSJKCNYEQIAUQY-AQHIEDMUSA-N 468.680 5.344 50 40 JKGB CCCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 19816201 CEPYUCICWJSNHB-FUAYJARZSA-N 452.385 5.864 50 40 JKGB Cc1c(Cl)cccc1-n1c(SCC(=O)C(C#N)=C2Nc3ccccc3N2)nnc1-c1ccncc1 38191229 LLEDEDRXZDWXGL-UHFFFAOYSA-N 499.987 5.225 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Cl)cc1 40846895 MOGQUKUTOQGJJD-LQKURTRISA-N 450.966 5.989 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1 59201069 OATDVRFYSDZSRC-PDGQHHTCSA-N 471.771 7.080 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1ccc(Cl)cc1Cl 59417838 LSDVUYPNOJTXPN-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB O=c1n(-c2ccc(F)cc2)c2ccccc2n1[C@H](CCI)c1ccccc1 261829907 YJIBDUUHFMUKMM-LJQANCHMSA-N 472.301 5.346 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1nc2ccc(F)cc2[nH]1 408569632 OWYKROSGZVVCRJ-SXGWCWSVSA-N 461.327 7.076 50 40 JKGB CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 408711932 RBNHIZZKPDLXPX-FSGOGVSDSA-N 468.553 5.519 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccccc1 408741126 GUVAFAXRYOJEPZ-MFOYZWKCSA-N 485.740 6.366 50 40 JKGB CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 408771057 FDKBEQZFKBNVHK-WGARJPEWSA-N 468.395 5.257 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 408798239 VLWRQZSMZMVBFO-CIAFOILYSA-N 495.406 7.134 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1ccccc1Cl 408798669 WLMMYFVAPWXPJI-KGENOOAVSA-N 473.359 7.271 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1OCc1c(Cl)cccc1Cl 408881898 OZGMYEMRXGMTQT-UVHMKAGCSA-N 473.356 5.662 50 40 JKGB CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)c1cccc(Cl)c1 408886856 JGXXQPGEHFPGIR-AWQFTUOYSA-N 460.553 5.028 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OCC)c1OCc1ccc(C)cc1 409068606 HIASUVKUKDEAJC-KOEQRZSOSA-N 452.554 6.247 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OCC)c1OCc1cccc(Cl)c1 409073555 QELWHKJFVMQDDJ-HYARGMPZSA-N 469.972 6.987 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1OC 409312609 MSDJYIPTLPHSCK-NTFVMDSBSA-N 466.965 5.789 50 40 JKGB CCOc1ccc([C@H]2C(C#N)=C(SCc3ccccc3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl 409322259 LLXZFRSZFWKNBW-PMACEKPBSA-N 491.396 5.063 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1 954285 KTRDQDRPOANUNB-CXUHLZMHSA-N 458.370 5.985 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1ccc(Cl)c(Cl)c1 2078466 STWLGGNVDZGDQS-UVHMKAGCSA-N 473.356 5.662 50 40 JKGB CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1 2553443 RFWFQNQKHAUZPP-LICLKQGHSA-N 470.425 6.884 50 40 JKGB O=C(N/N=C/c1ccc(OCCCF)cc1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 8773046 UXEPHHLMWNZPJU-VPUKRXIYSA-N 496.379 5.071 50 40 JKGB CC(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1 9144663 ALBLRERNXXZAHI-LQKURTRISA-N 496.080 6.470 50 40 JKGB CC(=O)c1ccc(NC(=O)Cn2c(C)c(/C=C(\C#N)c3nc4ccccc4[nH]3)c3ccccc32)cc1 9187546 KYXPPXZLHAGZNG-RCCKNPSSSA-N 473.536 5.732 50 40 JKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Br)cc3F)n2)cc1 11853122 XFAHFUBUUXGSDS-SFQUDFHCSA-N 456.384 6.887 50 40 JKGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cc2ccccc2o1 12560625 GRUBWQXXSHXYMQ-MFKUBSTISA-N 467.934 5.041 50 40 JKGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1cccc(OCc2ccc(Cl)cc2Cl)c1 12956612 LZHWLEUXVCKYTE-KVSWJAHQSA-N 467.274 6.355 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1Br 20760096 UGQMIMUCEWVIQS-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(-c4cc(Cl)ccc4[N+](=O)[O-])o2)C(C#N)=C(N)O3)cc1 22709932 CJJHKEXBMWOFKT-FQEVSTJZSA-N 473.876 5.425 50 40 JKGB COc1cc(/C=N\NC(=O)[C@H](C)Oc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 32114469 CGVDJDXSHPSUDJ-FKSSYULRSA-N 473.356 5.499 50 40 JKGB COc1ccc(Br)cc1[C@H]1C(C#N)=C(N)N(Nc2ccccc2)C2=C1C(=O)CC(C)(C)C2 59226933 AKDRLYSHMYQVEC-QFIPXVFZSA-N 493.405 5.221 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1F 59336061 LMXXGHFEDWMWCR-BOPFTXTBSA-N 471.315 6.266 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)C(=O)Nc1cccc(C(=O)O)c1 408541644 HAVSVTVLPURHAV-ZROIWOOFSA-N 471.694 5.606 50 40 JKGB C=CCOc1c(I)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OC 408581232 VGLNNJSRNAIYCT-OQLLNIDSSA-N 496.142 5.691 50 40 JKGB O=C(NNc1ccccc1OCc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccccc2)C1 408608400 PKFBAQNRPQOEOL-QGZVFWFLSA-N 470.356 5.069 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Br)c1OCc1ccccc1 408724523 FGJUWTLQLBZRCO-HWEYYMNDSA-N 485.422 5.703 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccc(F)cc1 408745383 REZLOKVGFPVTIE-ODLFYWEKSA-N 495.348 6.030 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2Br)cc1 408798170 UYQNXMAHNFUHSX-LPYMAVHISA-N 475.386 6.499 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OC(C)C 408800064 KAMBNFSTOWIHDR-VCHYOVAHSA-N 457.368 5.798 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1O 408840134 XXANQRWTRKLOAR-JFLMPSFJSA-N 472.570 5.730 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cccc2ccccc12 408852460 LDDPZGXQIHWXLB-MBTHVWNTSA-N 486.369 6.520 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1Cc1cccc(F)c1 408872238 BRDHHZYGPAJSPZ-VXLYETTFSA-N 479.349 6.042 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1Cc1cccc(F)c1 408884220 XDHKWYSBBMIVSJ-DJKKODMXSA-N 483.370 6.976 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1OCc1ccccc1Cl 408894634 JXKOOTZZFQURCI-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1c(Cl)cccc1Cl 408901043 ZMBYYSFYYQNBPA-SFQUDFHCSA-N 457.744 6.771 50 40 JKGB Cc1ccc(Sc2oc(/C=C(/C#N)c3ccc(C(F)(F)F)cc3)cc2Br)cc1 408911687 CACZAFOSNXPVMO-GDNBJRDFSA-N 464.306 7.585 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCc1cccc(C)c1 408925515 UJXXQXFODNRVPL-CVKSISIWSA-N 467.363 5.499 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)c1cc2cc([N+](=O)[O-])ccc2o1 408962756 UMQOKHHMUBDAAS-AUEPDCJTSA-N 488.681 5.781 50 40 JKGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 409113744 FERPMVNHTUMIET-MYKKPKGFSA-N 480.760 6.470 50 40 JKGB CCOc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccccc2)cc1OCC 409220248 ZYSNEMYRXSHUTK-YUMHPJSZSA-N 466.921 5.121 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1 409226772 WTRDDHBVJYUDGT-XDJHFCHBSA-N 475.932 5.302 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)cc1Cl 409264872 GTILXQHPSWMCQQ-LICLKQGHSA-N 496.350 5.571 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1OCC 409320315 PWEWOYUPRQXMCS-QRQIAZFYSA-N 466.965 5.870 50 40 JKGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)=C2C#N)cc1 409323339 NITZYPLESBXLBU-HNNXBMFYSA-N 495.910 5.078 50 40 JKGB CCOc1cc([C@@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccccc1Cl 409370872 CNYSVUNEMZZIFN-NRFANRHFSA-N 456.011 5.660 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)o1 409393015 UPVSJHYVLQRWTD-WPWMEQJKSA-N 455.470 5.146 50 40 JKGB Cc1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(=O)n(-c2ccccc2)n1C 1454264 PODHLHNYVYWZLT-SFQUDFHCSA-N 493.350 5.597 50 40 JKGB N#CC(C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCC1)=C1Nc2ccccc2N1 3314280 CVDPKXOXEPFUFK-UHFFFAOYSA-N 460.538 5.133 50 40 JKGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 8448728 JMTPSXFSBCCNEQ-HVFWSPAUSA-N 455.385 6.805 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl 8812403 CHHMZSGMLACJCB-UVHMKAGCSA-N 461.320 5.874 50 40 JKGB CCc1ccccc1N1CSC2=C(C#N)[C@H](c3cccc(OCc4ccccc4)c3)CC(=O)N2C1 12251025 HOISBAONZAXOGY-VWLOTQADSA-N 481.621 6.047 50 40 JKGB N#CC1=C(SCC(=O)Nc2cccc(Cl)c2Cl)NC2=C(C(=O)CCC2)[C@H]1c1ccco1 13189494 CNYJGAOGRFBCMK-LJQANCHMSA-N 474.369 5.387 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 13388089 TZFKRIJUBVHGOZ-WOJGMQOQSA-N 467.403 5.738 50 40 JKGB CCOC(=O)/C(C#N)=C/c1cc(Cl)c(OCCOc2ccc([C@@H](C)CC)cc2)c(OC)c1 13898435 YADKEAYJJRITAU-NNIWKIFQSA-N 457.954 5.790 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)c(C)n1-c1cc(Cl)cc(Cl)c1 28216003 XAFHSEKWIKEDEO-KBKYJPHKSA-N 480.848 6.438 50 40 JKGB N#CC1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2[nH]ccc2c1 31820203 XNVJFSOEXWHLKS-JOCHJYFZSA-N 459.347 5.235 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 33747286 HKQPOJMBVJUUAN-LGJNPRDNSA-N 483.749 6.288 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(Cl)c1OCc1ccccc1 59333020 CXJYIAYXLMHQFI-KQWNVCNZSA-N 487.987 5.183 50 40 JKGB CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)cs1 72120181 YAHNRXOKGQUIRD-ZROIWOOFSA-N 490.894 6.046 50 40 JKGB CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1ccc(N(CCCl)CCCl)cc1 98003636 HPJXYBXVEVLPDW-RUZDIDTESA-N 494.466 6.719 50 40 JKGB CCCCCCCC[Sn]1(CCCCCCCC)OO[C@@H](c2ccccc2)O1 195999542 XDUUMYONFIJSTH-UIVHXXCJSA-M 483.281 7.827 50 40 JKGB CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC 408538328 LBDFZXANXKUHAT-PGMHBOJBSA-N 450.535 5.377 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)o2)cc1[N+](=O)[O-] 408570973 ZXWDVFTVYBYGLV-ZMOGYAJESA-N 483.571 5.171 50 40 JKGB Cc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 408581661 YMGQWDQSLPACJI-RGVLZGJSSA-N 495.804 6.801 50 40 JKGB CCOc1cc(/C=N\NC(=O)CCc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1 408718617 KCZJOOHFLWFGIH-PKAZHMFMSA-N 450.922 5.041 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 408744829 NJIIFUVVRQKIRB-MOSHPQCFSA-N 473.485 5.127 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2cccc(Br)c2)c(C)n1-c1ccc(Cl)cc1 408770756 BZYYBAVWJMHEOE-MSXFZWOLSA-N 460.759 5.039 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC 408791704 BCZFWZKKAAKIRZ-VGOFMYFVSA-N 497.762 5.533 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)c2C)sc2c1CCCC2 408805559 GQYCTHFQQCZEOU-NKLNULCYSA-N 493.673 5.813 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccccc1C#N 408807696 DPFGVXJLNXZREW-GRSHGNNSSA-N 461.880 5.484 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1Cl 408846064 QNFXKKXAPCIQNN-UVHMKAGCSA-N 497.407 6.633 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 408874102 YQSYRYMNMKDTMS-OPEKNORGSA-N 450.753 5.583 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1 408875859 LQXFRDIBMQSCCB-DEDYPNTBSA-N 461.905 5.935 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 408887816 RIRNXOKVNUUZOJ-LDADJPATSA-N 461.861 5.322 50 40 JKGB Cc1ccccc1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1 408891462 QWZFASFAWUMZBD-XSFVSMFZSA-N 494.332 5.724 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1cccc2ccccc12 408900840 XZTHCNMOWMEEPF-RWPZCVJISA-N 493.788 6.599 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 408925372 ROSDZTCBCNQBFU-CAOOACKPSA-N 458.776 6.908 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)c2C)cc1C 408982938 ZVTDRHNFABTADD-XIOXGIFKSA-N 492.623 5.722 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1Cl 408985381 KNHZOQPMTCWSIH-ZDLGFXPLSA-N 471.771 7.080 50 40 JKGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 409174491 UTAQMJARWRXAAP-VPUKRXIYSA-N 495.366 5.287 50 40 JKGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1c(OCc2ccccc2F)ccc2ccccc12 409178238 JQADPCMECYWVFR-LQKURTRISA-N 457.461 5.159 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 409261542 CWICSKARCSKNNB-JCMHNJIXSA-N 499.567 5.274 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1OCC 409313708 PIAHWJJBDPGTOK-FSGOGVSDSA-N 488.584 5.700 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1OC 409364672 OLYXCVNRRWMVJK-IPPBACCNSA-N 496.394 5.706 50 40 JKGB C[C@@H](CCC(=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 2049238465 XNTZTQJAAZNSGD-ZVEBIRQQSA-N 453.461 6.089 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Br)cc1F 867478 WRPZECPQRFCSFS-KPKJPENVSA-N 480.120 6.701 50 40 JKGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1c[nH]c2ccccc12 2697710 ZRVMZPVOANAZBN-LGJNPRDNSA-N 489.651 5.707 50 40 JKGB C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CC/C=C(\C)C=O)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)OC)[C@H]12 5542285 FPFAZZFTBDKRJL-PXERRMOCSA-N 496.688 6.212 50 40 JKGB biogenic Cc1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccccc1[N+](=O)[O-])N2 6281416 YQDGDAILSZLFGK-JVIOVZNBSA-N 495.988 6.850 50 40 JKGB N#CC1=C(N)N(c2ccc(Cl)cc2[N+](=O)[O-])C2=C(C(=O)CCC2)[C@H]1c1ccccc1C(F)(F)F 8856807 CSZMRGBGSQWODK-FQEVSTJZSA-N 488.853 5.572 50 40 JKGB CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(C(C)(C)C)c1O 8860752 MTDMOHHIPSUKOL-LFIBNONCSA-N 455.396 6.295 50 40 JKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)(F)[C@H](F)Cl)n2)cc1 9065306 MJAIXSOSBBNFCP-AUFJSOOLSA-N 463.912 6.855 50 40 JKGB CC(C)(C)C1CCC(=NNC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CC1 12563976 XDIPYCUAPKRPGT-UHFFFAOYSA-N 451.661 6.911 50 40 JKGB Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(CC(C)(C)CC3=O)N2)c1 13066918 CXPKSRXITWGROV-HSZRJFAPSA-N 477.655 5.802 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccccc1 23217315 IWSVTMXCZNUKBS-LUYJPIOASA-N 466.291 5.402 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2F)c1OCc1ccc(Br)cc1 33410113 MZLBHUWXWSHCTL-AQTBWJFISA-N 481.321 5.721 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccc(I)cc1 33789184 LLLQIRXNGMAMNV-UYRXBGFRSA-N 499.323 6.472 50 40 JKGB Cc1ccc(Sc2ccc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)cc1 35105502 WLQKXTGGRDOVPD-XMHGGMMESA-N 455.608 6.504 50 40 JKGB CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)cc(C)c5c4C)ccc32)cc1 38700736 IXRVMOUIHKQLAN-SANMLTNESA-N 496.588 6.517 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2)c1 59232827 DTLBLHWEJUNMGQ-XDHOZWIPSA-N 463.331 5.582 50 40 JKGB CCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103527891 UEVFHBGQGJQHEG-RXMQYKEDSA-N 466.072 6.084 50 40 JKGB N#CC1=C(SCc2ccccc2Cl)N=C2CCCC(O)=C2[C@@H]1c1cccc(Cl)c1Cl 104135187 RGBYMRGOVZOYIL-HXUWFJFHSA-N 475.828 7.850 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccc(Br)cc2)c1 207154051 HFGIZVPLOSXPFL-ODLFYWEKSA-N 481.777 6.536 50 40 JKGB CCN1c2ccc(/C=N/NC(=O)c3cccc(I)c3)cc2[C@H](C)CC1(C)C 208312018 NNLYMKMDLMQHOT-LZCVXGSNSA-N 475.374 5.167 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc2-c2ccc3ccccc3c2)cc1 408727992 YZFUXBKFQCJLDC-OCSSWDANSA-N 474.520 5.494 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2Cl)c1 408795597 MDCNLWULXRFESW-SRZZPIQSSA-N 465.380 7.043 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccccc1C#N 408816722 SCGBMRBQRKMFRS-RASHHNMQSA-N 451.526 5.320 50 40 JKGB CCOc1ccccc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(=O)(=O)c1ccc(C)cc1 408878278 ZKGXWXXBXTYGJI-UHFFFAOYSA-N 499.677 5.298 50 40 JKGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1OC 408887594 PELIKKXIFNJGOT-NYYWCZLTSA-N 470.696 5.508 50 40 JKGB Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1 408890494 UQZUIGDCWUZMLP-HZHRSRAPSA-N 466.968 7.235 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(F)cc1 408984110 PRRKHGKSYXOOHU-PXLXIMEGSA-N 460.936 6.641 50 40 JKGB N#C/C(=C/c1cccn1-c1cccc(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 409009903 CJYSAQLMWINNKK-LCYFTJDESA-N 461.146 6.092 50 40 JKGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1 409130554 IADVPCNPKVYJPL-OAQYLSRUSA-N 466.324 5.259 50 40 JKGB Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 409154954 PNJSCTLJKNXUTC-MUFRIFMGSA-N 498.410 6.140 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1F 409209077 FRIAAGMJDUCHNR-ODLFYWEKSA-N 452.869 6.429 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 409215747 AONXDZKGSCOCMV-LGJNPRDNSA-N 478.961 5.494 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)c1ccccc1 409221046 JXRQEYFISITYSX-CBAAQYGVSA-N 466.516 5.203 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)c1ccccc1 409231289 BQYYEKSFQUUYGG-UQRWVXEISA-N 450.498 5.382 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409258290 VWLDBDAFCFHPGU-HAHDFKILSA-N 483.568 5.574 50 40 JKGB COc1cc(C(=O)N/N=C\c2ccccc2OCc2ccccc2)ccc1OCc1ccccc1 409310086 QBNWUIPKGHKYBI-FSGOGVSDSA-N 466.537 5.617 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc(Cl)c2)cc1OCC 409313212 OVUOTSOQJQTKLU-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccc(Cl)cc1 1834592 WXDSMWXCWUSRLX-VULFUBBASA-N 488.444 6.000 50 40 JKGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 1906159 LHPVPGYMHZEBBK-AWNIVKPZSA-N 483.207 6.893 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 2248319 KDRYWROBBXMTDL-XMHGGMMESA-N 460.364 6.851 50 40 JKGB Cc1ccc(-n2c(SCC(=O)C(C#N)=C3Nc4ccccc4N3)nnc2-c2ccccc2)cc1C 3313099 OAOIWJWFCAQMDW-UHFFFAOYSA-N 478.581 5.485 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3cccc(Br)c3)c2C)c(C)c1 6195535 GSKNLXAIUWHAFB-LGJNPRDNSA-N 484.463 5.857 50 40 JKGB N#C/C(=C/Nc1ccc(Cl)c(Cl)c1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 8400486 SSMUOWUYTBCWNY-QINSGFPZSA-N 490.371 7.353 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 9310801 OMHLQNJDCSEANO-BWAHOGKJSA-N 455.561 6.951 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 16689039 QOSIMUJGVXVDRI-WOJGMQOQSA-N 483.351 6.222 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccc(F)cc1 19826134 VMHSIWPNJVFGNP-OVVQPSECSA-N 459.550 5.014 50 40 JKGB C=CCN(c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1)S(=O)(=O)c1ccccc1 19937026 RBTONUAQFASNAM-WGOQTCKBSA-N 488.396 5.139 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(CC#N)c4ccccc34)o2)cc1 33450627 INZXRDSZACHDTM-LJUMEUDFSA-N 491.551 5.508 50 40 JKGB CC(=O)Nc1cccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)c1 33827240 WNYUBWSTYYXDMM-RWPZCVJISA-N 458.949 5.374 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 34703592 LJRBEGMLOGYJSR-MUFRIFMGSA-N 487.943 5.283 50 40 JKGB CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)Sc3nc4ccccc4s3)o2)ccc1Cl 34863958 IFROKPGLUURNFC-FOWTUZBSSA-N 466.971 7.043 50 40 JKGB Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)c(C)c1 67196973 NCCKCZSMFYSJIH-MRUKODCESA-N 451.737 6.053 50 40 JKGB N#C/C(C(=O)c1c[nH]c2ccccc12)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 101178529 ZKCBSZUYPQOPOY-GOHCDNDPSA-N 467.525 5.616 50 40 JKGB CC(C)CN1C(=O)/C(=N\NC(=O)c2ccc(CSc3cccc4cccnc34)cc2)c2ccccc21 102132903 FGPPNPGWKIBJGL-QVTSOHHYSA-N 494.620 5.664 50 40 JKGB Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccccc1)=N/NC(=O)c1ccccc1 104315714 YXSCJIQLOCNIKL-FOQCXOFVSA-N 463.545 5.504 50 40 JKGB CCCCCCCCCCC/C=N\NC(=O)C(=O)N/N=C/CCCCCCCCCCC 104375738 DAFBTKQYABQJAJ-VRQWBOTBSA-N 450.712 7.032 50 40 JKGB Cc1nn(-c2ccccc2)c2c1[P@](=O)(c1ccccc1)/C(=C1/N(C)c3ccccc3C1(C)C)C=N2 104990513 FGKLFSGVWKOSLC-PLDHZEAYSA-N 478.536 5.850 50 40 JKGB CC(C)N1c2ccc(/C=N/NC(=O)COc3ccc(Br)cc3)cc2[C@@H](C)CC1(C)C 223544462 VWJXZFYQPSLUSG-HSOLMKNUSA-N 472.427 5.479 50 40 JKGB CCOc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(Cl)cc1 408606485 MDBMLZYGZNFGAK-FQEVSTJZSA-N 493.991 5.122 50 40 JKGB O=C(NNc1cccc(OCc2ccc(Cl)cc2Cl)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 408606921 MOQBWGLUZSCXNR-QGZVFWFLSA-N 470.356 5.069 50 40 JKGB C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 408836753 VCRWVAKXYUGIPJ-PTGBLXJZSA-N 494.978 7.183 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cccc2ccccc12 408885878 GGTBJGDNBPDDSE-LQKURTRISA-N 458.901 5.485 50 40 JKGB COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2OC)cc1 408888512 WINAARZTJSHEKX-GZTJUZNOSA-N 497.334 5.775 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc(Cl)cc1 408893121 FNXLAABJBDGRBO-KBKYJPHKSA-N 468.167 6.643 50 40 JKGB CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 408900604 WSOHFGYSAQHLBY-RIYZIHGNSA-N 464.157 5.464 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Cl)c1OCc1ccccc1C 408924509 OVELEXBYXTWNMD-MUFRIFMGSA-N 458.945 6.153 50 40 JKGB O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)c1cccc(C(F)(F)F)c1 408962850 KFMNHFBUDCIALN-YCPBAFNGSA-N 472.206 5.944 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc2ccccc2c1 408985102 VGIBTCWHDBVQBL-CFRMEGHHSA-N 482.967 6.935 50 40 JKGB O=C(O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)cc1 409032524 CITAWCJSLXNUNI-RHANQZHGSA-N 461.477 5.624 50 40 JKGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1 409378653 RBEAWNHFUSPLAE-SFQUDFHCSA-N 483.421 5.408 50 40 JKGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4(CBr)OCCO4)CC[C@H]32)C1 2049238370 MSDUUFXAHQPGOH-JDAKRHAISA-N 481.471 5.635 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2c(OC)ccc3ccccc23)nnc1-c1ccc(Cl)cc1 2331924 DVVSMMASRCHOME-VULFUBBASA-N 479.993 5.023 50 40 JKGB Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 3036916 FNVPKKMCKZQPOO-YSURURNPSA-N 462.289 5.308 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cc(OC)c1OC 3242294 CKZIXGKUDGRQKO-VULFUBBASA-N 493.610 5.378 50 40 JKGB CC(/C=C/c1ccccc1)=N\NC(=O)COc1c(Br)cc(C)cc1Br 8386818 RZFWFOOAYFPLFD-LXCYGRFXSA-N 466.173 5.104 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(C)cc2)cc1 8798576 SEZIVLBQZWMZGV-FYAMCCBRSA-N 488.012 6.022 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccc(Br)cc1 12363620 OEHCHTRMSSVION-JVWAILMASA-N 460.375 5.703 50 40 JKGB CC(C)c1ccc(OCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2)cc1 13778095 YPCGYOSMUCZMGB-DICXZTSXSA-N 481.390 5.681 50 40 JKGB COc1cccc(/C=C(/C#N)c2nc(-c3cc4cc(Cl)cc(Cl)c4oc3=O)cs2)c1OC 16228166 SHWFIPAIPGILQJ-NSIKDUERSA-N 485.348 6.305 50 40 JKGB CCOC(=O)/C(C#N)=C1/SC=C(c2ccc(Cl)cc2)C(C#N)=C(N)N1c1ccc(C)cc1 16681994 NLJULSYCKLIGCN-BSYVCWPDSA-N 462.962 5.235 50 40 JKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1OCC 16736010 VVUYIPYAQGOMTP-XDJHFCHBSA-N 496.629 5.927 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 20197790 FUQFNLRFRZZYHO-JFLMPSFJSA-N 457.357 6.125 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(C#N)c3)c(OCC)c2)cc1 20197996 GGTUFQPIVXHOOQ-RDRPBHBLSA-N 457.530 5.089 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 20764219 RYKYMNGAJJOTIA-STBIYBPSSA-N 458.945 6.235 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3[nH]2)cc1C 27018847 NDJMOCAKNOJPMT-XLNRJJMWSA-N 457.537 6.353 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccccc2Br)c(C)n1-c1ccccc1Cl 28216097 KXKDEKUVSXPUAM-BRJLIKDPSA-N 490.854 5.894 50 40 JKGB CCSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 33927752 HFKBYHDNFZKCMU-MDZRGWNJSA-N 472.941 5.327 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OC(C)C 35074463 BYMHRZPIJDMYCA-NVNXTCNLSA-N 473.314 5.336 50 40 JKGB COc1ccc(/C=N\NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1CSCc1ccco1 35315713 BTWZRGKWCWWHCQ-IHZOFJBVSA-N 476.642 6.273 50 40 JKGB CCOc1ccc2nc(NC(=O)/C(C#N)=C/c3ccc(Sc4ccc(Cl)cc4)o3)sc2c1 41074203 VLQGZJWDVJFEQJ-SDNWHVSQSA-N 481.986 6.638 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)C(O)(c1ccccc1)c1ccccc1 58871532 JYHOTUKNOUMRBC-STKMKYKTSA-N 486.571 5.805 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 59266308 NAKIECAFAFIRCR-NDENLUEZSA-N 481.379 6.689 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(C(=O)O)cc1 59336079 LYWFYHZSRIHGIJ-BOPFTXTBSA-N 454.313 5.645 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1nc2ccccc2s1 95100357 ZHZQGSMSAUSLRX-GZTJUZNOSA-N 480.376 6.728 50 40 JKGB C[C@H]1[C@H](C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1(Br)Br 95749426 PIPWLIJJJNWSQC-AVRDEDQJSA-N 489.211 5.733 50 40 JKGB CCCCCCCCCCCCCCCC(=O)N/N=C/c1c[nH]nc1-c1ccc(OC)c(OC)c1 97965591 LRLGSNKXEZEMAN-XHLNEMQHSA-N 484.685 7.025 50 40 JKGB C(=C(\C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)\c1ccccc1 104145833 OGQLKJNFHLOXLI-URGPHPNLSA-N 456.569 6.954 50 40 JKGB CC[C@@H](C)Oc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1 107899695 WWCWLZFBRLFHGE-BXIPXKNPSA-N 485.584 6.207 50 40 JKGB CCCCCCCCCCCC(=O)Nc1cccc(C(=O)OCC(=O)NNC(=O)c2ccccc2)c1 138584244 GZLYBULLADMNLQ-UHFFFAOYSA-N 495.620 5.164 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)[nH]c2cc1C 408545123 YVDQHXRSYYSOIM-LICLKQGHSA-N 455.430 5.853 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1cccc2ccccc12 408568908 LLDRLLKMHWQPHS-MTJSOVHGSA-N 497.957 7.550 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 408724051 DEOYNLXRHCJMRV-RDRPBHBLSA-N 475.508 5.673 50 40 JKGB CC(=O)Oc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)o1 408744580 YOVBQLCYXCRKJW-XNTDXEJSSA-N 496.269 5.524 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 408746016 QFSYBSQBIOVJSR-WQRHYEAKSA-N 453.325 6.127 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc(Br)cc1 408746054 WXMKJRIJMKLUDK-AQTBWJFISA-N 451.295 5.713 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 408753695 HGQBGBJWDUJEKY-RGEXLXHISA-N 496.972 5.361 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408759918 OAZILPGSMHCPAF-UVHMKAGCSA-N 486.355 5.092 50 40 JKGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)o2)cc1Cl 408764654 JSRHPFIUNBXAHM-ZROIWOOFSA-N 485.721 5.695 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)cc1 408878503 BNOWTWJDESANQP-YBFXNURJSA-N 470.878 6.792 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c([N+](=O)[O-])c1 408926208 WCLLPRSSPQYIAX-FRKPEAEDSA-N 485.327 5.863 50 40 JKGB O=C(O)c1cccc(Cn2cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c3ccccc32)c1 408967861 SLGCPJQNOAKIRT-VFLNYLIXSA-N 465.431 5.171 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1OCc1ccc(F)cc1 409075928 VRCHOVWRSNKBLG-HYARGMPZSA-N 490.962 6.731 50 40 JKGB Cc1ccc(SCCC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 409129279 GDKFHUBLPQFFDI-MFKUBSTISA-N 470.436 5.798 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(OCc4ccccc4Cl)cc3)CC2=O)cc1C 409162912 JLQBSONNFIBPCS-RUEQZMELSA-N 475.976 5.039 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1O[C@@H](C)CC 409237709 LCJQMPZVPZBDGC-SBGXLDQMSA-N 485.422 5.681 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)cc1OC 409322636 LBWKGKNHRJASNE-MWLSYYOVSA-N 496.991 5.797 50 40 JKGB COc1cc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1COc1ccc(F)cc1 648513 FUFJFXLZSLXBAA-RDGATRHJSA-N 454.505 5.007 50 40 JKGB Cc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1CSc1ccc(Cl)cc1 651029 IUVLHWVLFABZKF-OAQYLSRUSA-N 471.047 6.453 50 40 JKGB N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)c1ccc(Br)cc1 1101689 FQBMAKGGBCADAS-XMHGGMMESA-N 456.343 6.107 50 40 JKGB CCn1c(SCC(=O)N/N=C(\C)c2ccc3ccccc3c2)nnc1-c1ccc(Cl)cc1 12466045 PEOMAXJVLJQVSZ-WGOQTCKBSA-N 463.994 5.404 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1C 13809744 JJIJYAPHAYWNOZ-RCCKNPSSSA-N 452.514 5.063 50 40 JKGB N#CC1=C(N)N2C(=C(C#N)[C@]13C(=O)N(Cc1ccc(Cl)cc1)c1ccccc13)Sc1ccccc12 15084615 FFCVIKDQRDBKTQ-HHHXNRCGSA-N 493.979 5.180 50 40 JKGB Cc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1ccc(F)cc1 15231212 XPIAFVIFQIXSAZ-OKCVXOCRSA-N 469.585 6.187 50 40 JKGB COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)c(OC)c1 16311266 FPRHPJLRMDBFST-JVWAILMASA-N 493.633 5.018 50 40 JKGB COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 33732464 DNGPERJNOQTPDH-SFQUDFHCSA-N 479.895 5.051 50 40 JKGB C#CCOc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1 33783616 GMOIJEZSVLQMQE-MIXAMLLLSA-N 467.525 5.042 50 40 JKGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2cccc3ccccc23)c(I)c1 59334195 ILRCJBWADLOXKB-UNOMPAQXSA-N 482.321 5.019 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC#N 59336260 XQPYKMMGTXKUOQ-GHXNOFRVSA-N 481.133 5.213 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(Br)c2)cc1C 59432613 HYCMQCRHSWCDOP-AWNIVKPZSA-N 450.130 5.080 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1C 96822596 MCVOUMTZNIOQFA-HMAPJEAMSA-N 469.541 5.184 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(OC)c1OCc1ccc(C)cc1 107938248 JKCSKMZUFUIAAA-BIZUNTBRSA-N 494.591 6.237 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OC 207852617 GSXVHTFVEOYSKJ-SDQBBNPISA-N 470.150 5.709 50 40 JKGB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@]4(C)CC(=O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@@]12C 299754821 VJESLMVYXPLTHU-ULZMUMJFSA-N 479.587 8.440 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 408533492 SORTWKSJFOWQQL-KBKYJPHKSA-N 466.257 5.290 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCC(=O)Nc1ccccc1 408566883 BGMRLBXRUNDLSR-SXGWCWSVSA-N 476.895 5.446 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OCC 408580779 RRNLRZLDYGUSLM-NTUHNPAUSA-N 488.152 6.460 50 40 JKGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Cl 408747378 NBNGBTUBPZQBKP-JYRVWZFOSA-N 450.119 5.314 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Cl)cc1 408756221 YFVJSAKZKIEPCZ-GZTJUZNOSA-N 454.755 6.056 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3Br)cc2)c1 408756366 USZDXQHNUKOJNK-GHRIWEEISA-N 477.314 5.223 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)cc1 408798267 VNORIIBFLASYPH-RQZCQDPDSA-N 498.322 6.035 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408804384 FGKNGHRQCJXLGQ-LZYBPNLTSA-N 492.189 7.425 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(OCc2cccc3ccccc23)c1 408819902 YYXVBRJWABEXSU-HYARGMPZSA-N 468.940 6.626 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408819983 SHPJVLUHBNMGNY-ZMFRSBBQSA-N 479.876 5.346 50 40 JKGB Cc1ccc2c(Cl)c(C(=O)NNC(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)sc2c1 408838460 FOFFAFGESLXVBU-UHFFFAOYSA-N 498.391 5.844 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(Cl)cc1 408869377 CLXARAQDHWNXIH-WOJGMQOQSA-N 486.196 6.892 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1 408885191 YGOWBXHKMAHUCV-SFQUDFHCSA-N 487.364 5.615 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)c1 409044483 VHCGEWWQESIDNO-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1 409059196 VHBWVPKLMQZWLC-VCHYOVAHSA-N 455.316 6.566 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OCC)c1OCc1ccc(C)cc1 409065511 IYOBTDPRKOLKFF-YZSQISJMSA-N 466.581 6.555 50 40 JKGB CN1C(N)=C(C#N)[C@@H](c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C2=C1CCCC2=O 409133221 PHFNGPGLBSZGCG-OAQYLSRUSA-N 472.347 5.441 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccccc1 409219150 JNRAEWMPZYRFLJ-SFQUDFHCSA-N 466.324 5.557 50 40 JKGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1C 409229997 ANMFSAJIRYWIDQ-UNOMPAQXSA-N 481.474 5.754 50 40 JKGB O=C(CCCl)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(Br)cc1 4179988 DAILWPXTTLCYIE-KRWDZBQOSA-N 470.592 5.518 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1Cl 8767311 HPCRLNBJCYZBHZ-RGEXLXHISA-N 482.996 7.265 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2F)N1 9076146 XCBIOSLSGLRHHF-XMMPIXPASA-N 488.544 5.125 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(-c2c(Cl)cc(Cl)cc2Cl)s1 9311092 QMBOQLJYGXOHDU-SFHVURJKSA-N 499.810 6.984 50 40 JKGB CC1CCN(C(=O)[C@]23CC[C@](C)(/C(=N\NC(=O)c4ccc(Br)cc4)C2)C3(C)C)CC1 9455672 YGRMXTYHNVJECM-UJJICASRSA-N 474.443 5.010 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1cccc([N+](=O)[O-])c1 12466143 HGZAMDMMYUCXIF-RPPGKUMJSA-N 467.312 5.669 50 40 JKGB CC(C)=NNC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 19926561 TYQSTIRSNCMLFQ-UHFFFAOYSA-N 469.994 5.170 50 40 JKGB C=CCN(c1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1)S(=O)(=O)c1ccccc1 19937027 CMFQKNSDXBSFCN-WGOQTCKBSA-N 488.396 5.139 50 40 JKGB CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)c2ccccc2)N1 20029146 ZCCTVMUXGFAYNB-HSZRJFAPSA-N 481.017 5.994 50 40 JKGB C=CCOc1c(Br)cc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc1OC 28217664 VJZIVOBJBGHDKU-WYMPLXKRSA-N 477.424 5.023 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cc(Cc2ccccc2Cl)ccc1O 30840626 QJGOHWSWJODMCN-YKQZZPSBSA-N 470.956 5.833 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 33959610 CSFHAMSSFSAZQQ-XODNFHPESA-N 475.854 5.027 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)cc1Cl 59333500 UDBOEHFPZZZLJK-CHHVJCJISA-N 498.204 5.729 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(F)c1 59336060 PLURASZLWFWVDZ-WQRHYEAKSA-N 485.342 6.656 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc(OCc2cccc3ccccc23)c1 59435238 DGOBSMVKNVYKBV-LQKURTRISA-N 483.618 6.271 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)c(O)c(Cl)c3)o2)cc1 106559410 AMUBSPYUXKNTDB-QDTIIGTASA-N 498.366 6.042 50 40 JKGB CCOc1cc(C(=O)Cl)cc(I)c1OCc1ccccc1Cl 217712783 DZYZPZGAGLVEQY-UHFFFAOYSA-N 451.087 5.301 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408548916 NHVKGLCNEGRLHT-MYYYXRDXSA-N 450.494 6.790 50 40 JKGB COc1cc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccc(Cl)cc1 408613084 ZHAFDVLEGQZASE-FQEVSTJZSA-N 493.991 5.041 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2-c2cccc3ccccc23)c1 408724422 KBGCCPWYKLXOAC-KBVAKVRCSA-N 499.401 7.072 50 40 JKGB C=C1CC(C(=O)N/N=C\c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C1 408733534 ZAGVJTLDGWLHHH-FSGOGVSDSA-N 476.536 6.136 50 40 JKGB Cc1cc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)o2)cc([N+](=O)[O-])c1C 408746907 HOYZWLRPEKIQAL-YBEGLDIGSA-N 466.291 5.780 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Br)cc3)cc2)c1 408758217 HPSXWILYECAKTM-XMHGGMMESA-N 490.357 5.321 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C)c(C)c2)cc1 408799921 JJFCWEOUDWXPNV-FYJGNVAPSA-N 491.385 6.199 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1c(C)ccc2ccccc12 408803931 UXELYLKQJQUJSS-HYARGMPZSA-N 482.967 6.935 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1 408809848 SDCHIOJVVUMZEG-XSFVSMFZSA-N 456.904 6.757 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccccc1F 408819796 RWNSYEVUSGCBDU-SXGWCWSVSA-N 475.734 6.911 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1O 408852253 QXEGUTCSLNJXFK-FSGOGVSDSA-N 465.553 5.659 50 40 JKGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1 408862816 JKSTWHLGAYJFPS-UXHLAJHPSA-N 499.636 5.031 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1Cc1cccc(F)c1 408865880 FCIKHJFXJVOVAM-SRZZPIQSSA-N 462.952 6.631 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 408872625 HRFNIVVQYQZKTM-DEDYPNTBSA-N 495.804 6.790 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3Br)ccc3ccccc23)cc1 408880524 JOOGVNSUJFWRCT-HAVVHWLPSA-N 481.393 7.047 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408887182 OVGAYDOLAKIMHW-MTDXEUNCSA-N 484.512 5.127 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1OCc1ccc(Cl)cc1Cl 408892289 AJTZUQRFGNJMND-WKULSOCRSA-N 479.363 6.498 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Cl)c1OCc1ccccc1 408895769 OECJNIVXGLSDIR-DHRITJCHSA-N 473.754 5.454 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 408897073 QLDIJQOQHDVOFC-RPPGKUMJSA-N 486.380 5.956 50 40 JKGB Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1 408897702 SPZYYNPGZXGYPM-BUVRLJJBSA-N 480.995 7.543 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)cc2)cc1 408904804 OXQHWPSYSSKTAS-WGARJPEWSA-N 495.377 5.239 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Cl)c1OCc1ccccc1C 408926180 VTZSBXGEQPNRSG-KEBDBYFISA-N 491.931 5.998 50 40 JKGB O=C(N/N=C/c1cccc(OC(=O)c2ccccc2F)c1)c1ccc(OCc2ccccc2)cc1 408949791 GCQZIAKSFBDLKX-UXHLAJHPSA-N 468.484 5.388 50 40 JKGB C[C@H]1CCCCN1c1nc2ccccc2cc1/C=C(\C#N)c1nn(-c2ccccc2)c(N)c1C#N 408976768 TULOHWRSPVSVJP-QZMYASAMSA-N 459.557 5.317 50 40 JKGB CCOc1ccc2ccccc2c1/C=N/NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 408977455 DMOZICPELAIURU-PLUOQXPISA-N 465.553 5.250 50 40 JKGB CCCCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(Br)cc1 409020104 LWVNYMVVNDYNOG-MFKUBSTISA-N 455.352 5.310 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C)c(C)c1 409038251 ZYEJVJDWKRGNJI-MZFJOGFUSA-N 472.592 6.690 50 40 JKGB N#C/C(=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NCc1ccccc1 409080769 MSUAHNUACMKHNP-LDADJPATSA-N 467.403 5.629 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409089780 KFLRWHBYMPJZQT-DEDYPNTBSA-N 457.442 6.097 50 40 JKGB O=C(NN=Cc1ccccc1OC(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1 409219363 LWWAFJQRQLAIOR-UHFFFAOYSA-N 497.938 5.575 50 40 JKGB Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Cl)c1 409256856 NVJUDLPAIGZDFH-YBFXNURJSA-N 494.378 6.173 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1OCC 409309459 HPVUDJTULJPLAO-MBTHVWNTSA-N 487.383 6.134 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)ccc1OCc1ccccc1 409368538 AYZXEXOIUHMKRR-STZFKDTASA-N 481.333 6.333 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCC(=O)Nc1ccccc1 409390674 GNFOBRPKVOWCAZ-ZDLGFXPLSA-N 481.321 5.678 50 40 JKGB Cc1ccc([C@H]2C(C#N)=C(n3cccc3)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CCC3)s1 1432879 OYGKPJKBNMURBF-XMMPIXPASA-N 470.554 6.078 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc(Br)c1OCC 3672641 UMQGXHFZCZUINX-NRFANRHFSA-N 465.347 5.618 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1F 4179074 WTWMRGMYLXWQHF-DEOSSOPVSA-N 462.521 5.254 50 40 JKGB CCCCC(=O)Nc1cccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)c1 8403053 BDSOYQAXWYLZQK-OGLMXYFKSA-N 463.965 5.812 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 9034219 AWASCKKJZOODHO-HIQWWTPOSA-N 458.565 6.115 50 40 JKGB COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1 9428147 VDVODOZOOAFOND-LLTKLJFCSA-N 489.645 5.675 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(F)cc3)C2=O)cc1 9909813 NSKPGYGQXXWQPY-FYAMCCBRSA-N 471.557 5.508 50 40 JKGB CCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OC)c3)n2)cc1 11853085 JLTDCKWCNOBELL-BUVRLJJBSA-N 452.579 7.024 50 40 JKGB CC(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 13239547 RGSMKMFNJXAJBU-RWPZCVJISA-N 477.033 6.104 50 40 JKGB C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 20158299 RHLCWDONPNKSFN-KNBZMSCYSA-N 497.798 5.194 50 40 JKGB COc1cc([C@H]2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)ccc1OCc1ccccc1 20533243 ZKQFSSGFXLHRKD-JOCHJYFZSA-N 487.581 5.082 50 40 JKGB aggregator C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OC 28218006 PHHWMGOPZUAGOI-LSHDLFTRSA-N 458.139 5.093 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 33594402 QWUXYKBQVCJRJG-WKIKZPBSSA-N 491.758 6.029 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1cccc(Br)c1 59104556 ILCRWPLVZABUBW-BKUYFWCQSA-N 487.401 5.604 50 40 JKGB N#CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl 59336601 MDPKBDICMQAMBO-WQLSENKSSA-N 451.107 5.204 50 40 JKGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Br 59432910 WSRYJTJAWXTHNX-VGOFMYFVSA-N 464.157 5.383 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1nc2ccccc2s1 95100356 AZWSHPVRBKQIOS-GZTJUZNOSA-N 480.376 6.728 50 40 JKGB O=C(O/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 102919463 GOTZURKUKIHJGI-FSRJSHLRSA-N 485.543 6.836 50 40 JKGB Cc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(C)c3)N=C3CCCC(O)=C32)cc1 104076373 WSWLKOAVZCHJBT-VWLOTQADSA-N 457.599 6.253 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1OC 105285482 FNRZLQAHMVWOOI-QQXSKIMKSA-N 495.845 6.614 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)c(C#N)c1C 108894247 SJRUNYYCKQTQNY-OVCLIPMQSA-N 493.472 5.131 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 408578745 ANYQFKUWZPFUNC-YBFXNURJSA-N 467.352 6.392 50 40 JKGB Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2Br)c1 408747609 QHXXIOCGGIAFFC-XKZIYDEJSA-N 461.359 5.560 50 40 JKGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC 408791275 VNLLPZSYQBSFMR-XNTDXEJSSA-N 459.727 5.059 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408807564 DHCMRABVQPUAKH-KMYAOZERSA-N 464.525 5.691 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)ccc1OCc1ccc(Br)cc1 408811491 LKUYKPAKJDDPRE-QUYZQLMHSA-N 457.368 5.248 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1cccc(C)c1 408812160 BNNUUVSSOAJELD-ODLFYWEKSA-N 495.348 6.030 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1 408819327 RGRIMQSLPRCVHG-WKIKZPBSSA-N 469.324 6.091 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(Br)c2)cc1 408875630 KUSYYOIZFARZQE-XDHOZWIPSA-N 465.322 5.733 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c([N+](=O)[O-])c1 408895801 OFNVSCZXIMQVNT-UKTHLTGXSA-N 452.810 5.271 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1cc2cc([N+](=O)[O-])ccc2o1 408963228 YDEOETPCAWVTKZ-DHRITJCHSA-N 494.301 5.446 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1c(C)cc(C)cc1C 408985530 MQBKSIINVYZYCW-LPYMAVHISA-N 474.988 6.789 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1Cl 408986120 ZQPARRODVRPGQU-MOSHPQCFSA-N 474.391 7.159 50 40 JKGB CCOc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC 409031358 AUAOGGQXSINEOE-NTFVMDSBSA-N 459.933 5.726 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)cc2c1 409186804 IBYIXLBHHPCOAO-YSMPRRRNSA-N 459.458 5.083 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3F)c2C)sc(C)c1C 409194268 JCFJSOLOKAXILI-WOJGMQOQSA-N 451.523 5.244 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3C)c(OCC)c2)cc1 409264346 OYHSPBHWSQEFPV-CJLVFECKSA-N 499.567 5.356 50 40 JKGB N#CC1=C(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)NC(=O)C[C@H]1c1ccccc1 409313667 QORYPZMPCFUTQP-AWEZNQCLSA-N 465.884 5.069 50 40 JKGB C=C(Nc1ccccc1N)/C(C#N)=C/c1ccc(Oc2ccc(Cl)cc2Cl)c(OCC)c1 409331118 CIACKNKVSQYJML-LDADJPATSA-N 466.368 7.299 50 40 JKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(I)cc3)o2)cc1Br 409372984 RLCHPYSWSILQRY-YBEGLDIGSA-N 490.138 6.686 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c2[C@@H]1c1ccc(Br)cc1 987132 ZVJYRUYLCSYWPE-OAQYLSRUSA-N 475.390 6.105 50 40 JKGB CCCCOC(=O)c1ccc(NC(=O)[C@H](Br)[C@H](Br)c2ccccc2)cc1 1801203 RHSUCNZCXOOCQP-QZTJIDSGSA-N 483.200 5.482 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1C 2335379 BBCLRZTYCJIXLY-GOHCDNDPSA-N 488.012 6.022 50 40 JKGB O=C1N=C(O)/C(=C\c2ccc3c(c2)CCN3CCCCl)C(=O)N1c1cccc(C(F)(F)F)c1 2422235 QDURWWSEKJPYMI-LDADJPATSA-N 477.870 5.204 50 40 JKGB Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccccc1OCc1ccc(F)cc1 2632082 QTJIODFBIVNBEX-WKULSOCRSA-N 476.939 5.375 50 40 JKGB O=C(N/N=C/c1ccc(Oc2ccccc2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 6147216 FOFGZERSYZYRGC-KOEQRZSOSA-N 477.567 5.105 50 40 JKGB COc1ccc(/C(C#N)=C/c2c(-c3ccc(Cl)cc3)nc3sc4c(n23)CCCC4)cc1OC 8782150 OIUVTSIGGCNMMF-QGOAFFKASA-N 476.001 6.676 50 40 JKGB COc1ccc(-n2c(-c3ccccc3)cc3c2CCC(C=O)=C3Sc2cccc(C)c2)cc1 8782266 ZPEGRZOMFNIGAF-UHFFFAOYSA-N 451.591 7.110 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 8812576 GUIILJPZJNSDCA-DHRITJCHSA-N 473.754 5.454 50 40 JKGB CCCCCCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(C)cc2C)cs1 8838324 DPITZKSHMYIJKN-HEHNFIMWSA-N 459.615 7.141 50 40 JKGB Cc1ccccc1C(=O)N/N=C/c1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12 9202549 GVHWTMLEWXRQLI-CCVNUDIWSA-N 450.369 6.377 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(N)N(c3[nH]nc(C)c3-c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1 9290384 FFDKPBXWDNPAJV-RUZDIDTESA-N 479.584 5.335 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)cc1Cl 16712655 SWRSOXXWYLEYLB-JCMHNJIXSA-N 482.971 5.815 50 40 JKGB O=C(Cn1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc21)Nc1ccccc1 33581345 KKQPHJGIAFBDJR-MZJWZYIUSA-N 497.536 5.167 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccccc1 33681117 BRYCDYIAQWPQGB-GRSHGNNSSA-N 465.303 6.009 50 40 JKGB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1 33692738 KAILWQAUIHJRHE-CPNJWEJPSA-N 475.932 5.220 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cccc(Cl)c1Cl 39884622 BEYMAPJJKTUWTD-DHZHZOJOSA-N 452.124 7.106 50 40 JKGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c1C 58927360 OQPOFQPRMASYHO-RDRPBHBLSA-N 453.611 6.459 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2F)cc1 59233014 YTMIPRZWARINAX-CPNJWEJPSA-N 450.897 6.002 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccccc1C#N 59333192 LJVKORDAENKIMG-XHPQRKPJSA-N 485.591 5.125 50 40 JKGB C[C@@H]([C@H]1CCC[C@H]1P(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1 59629254 IHERDRRKNNMAEF-WXKJZWBCSA-N 478.641 8.824 50 40 JKGB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](I)CC[C@]4(C)[C@H]3CC[C@@]21C 118912407 PMVJGSYGUZXDAR-PAMFVNDTSA-N 496.561 8.831 50 40 JKGB Cc1cc2c(cc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)[C@@H](C)CC(C)(C)N2C(C)C 223592770 DMZKLUKOJHEBSX-VCZNVQPKSA-N 483.656 5.882 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccc(C(=O)O)cc1 408570181 SNZPHQUAVHWQPG-ODLFYWEKSA-N 457.461 5.442 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc(Cl)c(Cl)c1 408585395 CUGMEEZLWSYULF-MOSHPQCFSA-N 464.779 8.443 50 40 JKGB COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)ccc1OCc1cccc2ccccc12 408598800 JUWPWMDQLAFRMF-PXLXIMEGSA-N 463.562 6.960 50 40 JKGB CCc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccc(Cl)cc4Cl)c3)CC2=O)cc1 408601175 AHDOLSXUCXBSND-LJQANCHMSA-N 498.410 5.631 50 40 JKGB N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)C(=O)Nc1ccccc1 408740649 CTUDSKQNGAPMNJ-SZXQPVLSSA-N 465.556 7.357 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccccc1 408742989 QZPQBGKPFXVLOB-PDGQHHTCSA-N 467.750 6.227 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl 408789691 RBNOCCDQLLANLQ-AWNIVKPZSA-N 453.709 5.134 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 408794564 JNBJDUDLLIEXTL-GIJQJNRQSA-N 499.325 6.044 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OCc2ccc(Cl)cc2Cl)c1 408800672 QLSCVRAOWMFIAY-WOJGMQOQSA-N 453.325 6.127 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OC(C)C 408816518 RUTWRGZIHUDEPI-RQZCQDPDSA-N 490.341 5.250 50 40 JKGB COc1cc(C)c(/C=N/NC(=O)c2c(-n3c(C)ccc3C)sc3c2CCCC3)cc1C(C)C 408845743 LKJWTVGRIIDXIL-RWPZCVJISA-N 463.647 6.239 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2Cl)cc1C 408877182 UCCFJVOPYLEDNX-FYJGNVAPSA-N 479.805 6.856 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1Cl 408891587 SWPUCQYWJCQHEM-KPKJPENVSA-N 484.575 5.728 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccccc1C(=O)O 408897942 JLCOMASXLZHWND-GZTJUZNOSA-N 467.308 5.816 50 40 JKGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 409047673 PQJFLSNRRNCUOY-UVHMKAGCSA-N 481.339 5.597 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Cl)c1OCc1cccc(F)c1 409101681 XDJUWTQHLUEZBW-HSZRJFAPSA-N 480.879 5.014 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1ccc(C)cc1 409243941 ZHYAMLIEXMLLCU-UVHMKAGCSA-N 499.036 5.275 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)c1C 409261995 GSBHPOQZJFAMCA-XDHOZWIPSA-N 494.378 6.173 50 40 JKGB CCCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 1773148 WRARIBVWIFEAJA-KNTRCKAVSA-N 473.485 5.747 50 40 JKGB N#C/C(C(=O)Nc1ccccc1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 1790545 FEBKCCPZRYCMSV-CKVBZJJFSA-N 477.948 5.544 50 40 JKGB CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 1844343 FRYLWHOKOVAEEZ-OGLMXYFKSA-N 485.613 5.192 50 40 JKGB Cc1ccc(C(=O)NNC(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)c2C#N)cc1 6246473 WFMXUGMHUHBUAM-UHFFFAOYSA-N 492.604 5.457 50 40 JKGB CC(C)(C)c1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2)cc1 8916104 LSYKDZFVGUHVNF-LYBHJNIJSA-N 454.570 5.665 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1 9264976 PCVPIHTUIBXGFB-CJLVFECKSA-N 453.973 6.760 50 40 JKGB COc1ccc(-c2nn(CCC#N)cc2/C=C(\C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 12933517 DCVMGIVEBKFURW-RELWKKBWSA-N 489.535 5.810 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2cccnc2)c(C)c1 16805159 KBJRCHKTMZUGIU-XQNSMLJCSA-N 475.552 5.031 50 40 JKGB CC/C(C)=N/NC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 19926564 QTSMJCPQEPBXIJ-OVVQPSECSA-N 484.021 5.560 50 40 JKGB Cc1ccccc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(=O)(=O)c1ccccc1 20060539 NAIIBWXUQGFJAZ-UHFFFAOYSA-N 483.678 5.967 50 40 JKGB Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3)c2C)c1 20243612 JPXVJABFNFWKKV-LGJNPRDNSA-N 484.463 5.857 50 40 JKGB CCCCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)cc1 33614996 QIGXKJMBGDYYTK-JVWAILMASA-N 474.586 6.324 50 40 JKGB CCOc1cc(OCC)c(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1Br 34703682 QUWQNZYCIDTISR-AFUMVMLFSA-N 471.351 5.172 50 40 JKGB N#CC(=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)/C(O)=N/c1nc2ccccc2s1 41120718 GGZVRFPWCNLYFX-QGOAFFKASA-N 479.521 6.403 50 40 JKGB CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC 59245206 DNBYDJUMOCSACP-OQLLNIDSSA-N 463.759 5.754 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 59292004 WENGPGSPXJNODD-LICLKQGHSA-N 491.296 7.137 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1ccc(C)cc1 59410678 XKVBKVXXGCCPON-AFUMVMLFSA-N 453.336 5.109 50 40 JKGB Cl[C@@H](CCCCCCCC[C@@H](Cl)CC(Cl)(Cl)Cl)CC(Cl)(Cl)Cl 100352647 DREMSNSFGXXOEH-TXEJJXNPSA-N 473.954 8.843 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3)N=C3CC(C)(C)CC(O)=C32)cc1 102649744 YWBVOFZIEYSKMY-VWLOTQADSA-N 487.625 6.281 50 40 JKGB C[P@@](=Nc1ccc(I)cc1)(c1ccccc1)c1cnn(-c2ccccc2)c1 102935626 QRYOLHXPAAUUAG-HHHXNRCGSA-N 483.293 5.590 50 40 JKGB CCS/C(SC)=C(/c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 103844427 BAHGJJPXMZPPKO-ZIADKAODSA-N 472.659 7.155 50 40 JKGB O=C(N/N=C\c1ccc(N(CCCl)CCCl)cc1)c1cc(-c2ccccc2)nc2ccccc12 104332307 ZPWLEHJLEADNJX-FSGOGVSDSA-N 491.422 5.950 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 107620668 USJBKBAWDJUTFA-MIXAMLLLSA-N 483.524 5.419 50 40 JKGB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C(Cl)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 118924976 IAZKUQHFBGEWGA-YIZNBMETSA-N 497.591 8.743 50 40 JKGB O=C(NNc1cccc(OCc2ccccc2Cl)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408606088 LMUVKYVHCWKKOC-QGZVFWFLSA-N 470.356 5.069 50 40 JKGB O=C(NNc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 408612372 YGUZACOONBJHNY-QGZVFWFLSA-N 470.356 5.069 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)c1ccc(N2CCCC2)cc1 408676669 MBOQWAFCCYHVKE-LQKURTRISA-N 496.380 5.531 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(Br)cc1 408735291 PUSLARBIDCYSEU-GZTJUZNOSA-N 454.755 6.056 50 40 JKGB N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408764374 MNGWINUNJNTAPA-WJDWOHSUSA-N 471.727 6.412 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1 408766988 YBJUFBXXJRXWEG-CJLVFECKSA-N 484.533 5.162 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2)c1-c1ccccc1 408782364 HIVZWNQSDLHRLY-KQWNVCNZSA-N 451.957 6.960 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 408792174 JBMVQODAZWZHES-RGVLZGJSSA-N 491.931 5.944 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(C)c1 408796433 YCPFBEWGTSJFRT-YDZHTSKRSA-N 474.988 6.789 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1c(C)cc(C)cc1C 408809353 HKQGDAJSMUWSMU-WSDLNYQXSA-N 474.988 6.707 50 40 JKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 408813706 RBDZOSGDUIXOPU-YBFXNURJSA-N 497.378 6.444 50 40 JKGB CCOc1cc(C=C(C#N)C#N)c(Br)cc1OCc1ccc(Cl)cc1Cl 408844804 IRPAOWOQRGHBMR-UHFFFAOYSA-N 452.135 6.164 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccccc1Cl 408846612 QLBATCSBPOEJAF-MUXKCCDJSA-N 483.351 6.481 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Cl)c1OCc1ccccc1C 408922907 HMBRCGHTVBSVMT-UXHLAJHPSA-N 487.987 6.181 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1 409023989 OTSQQPVPCHHEJF-SSDVNMTOSA-N 481.824 6.088 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccc(Cl)cc1Cl 409046605 RTHGMKIGIIZBIA-IPBVOBEMSA-N 491.205 7.067 50 40 JKGB O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)NNC(=O)c1cccc2ccccc12 409046961 SQIWZBQLHRNJLU-SAPNQHFASA-N 470.912 5.187 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1 409079133 KBKSQZJSQNZIHA-XNTDXEJSSA-N 464.821 5.494 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCc1cccc(F)c1 409128275 IUCJQUJAQOGYAC-QHCPKHFHSA-N 481.955 5.187 50 40 JKGB O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1 409224633 LAQBNLOXLDCYAJ-DICXZTSXSA-N 473.872 5.385 50 40 JKGB CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4c(F)cccc4Cl)cc3)CC2=O)cc1 409262658 JKQKZKBPHPELSF-IVMLMAQVSA-N 493.966 5.124 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1OC 409360879 GANBPYRKYGGFQQ-OCSSWDANSA-N 488.971 5.782 50 40 JKGB Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 1773236 PKRVTWKMKSHGGZ-LDADJPATSA-N 451.309 6.067 50 40 JKGB N#C/C(=C\c1ccccc1)C(=O)Oc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1 1777144 NGQQJHCMYYVCJC-QGOAFFKASA-N 461.395 5.991 50 40 JKGB CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2cccc(C)c2C)=C(C#N)[C@@H]1c1ccccc1Cl 2312233 BBIHCQXVRYOLGN-VXKWHMMOSA-N 498.004 5.297 50 40 JKGB Cc1ccc(C(=O)N/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)c(Cl)c1 2314071 JONWKGFDGQYIBC-GNVQSUKOSA-N 453.929 5.483 50 40 JKGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 4062342 MKJCSACSXXONNI-AMVVHIIESA-N 453.439 5.540 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1cccc(C#N)c1 8812417 BWXIEMNVMXATDQ-CCVNUDIWSA-N 451.885 5.092 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccccc2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 8916908 SZHWZCODSIATNU-UXHLAJHPSA-N 471.988 6.019 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccco1 9199423 YUMLAWMQNVJLAD-QFEZKATASA-N 486.384 5.467 50 40 JKGB Cc1c(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc2n1Cc1ccc(F)cc1 9203682 HKRQGQINLDPHKM-RWPZCVJISA-N 478.365 5.592 50 40 JKGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 9311161 VOFXGPRSGUIYAN-FOKLQQMPSA-N 475.244 5.366 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OCc1ccccc1Cl 12590254 HQFPCBGMLYRLQE-XDHOZWIPSA-N 477.904 5.690 50 40 JKGB O=C(NNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(COc2ccc3ccccc3c2)cc1 13101523 FYUOMFQVJHQSGF-NDEPHWFRSA-N 496.563 5.051 50 40 JKGB C/C(=N\NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 20059549 NFYHHYYSEDDCJP-YZSQISJMSA-N 490.412 5.038 50 40 JKGB Cc1cccc(C(=O)N/N=C2\C(=O)N(CN(Cc3ccccc3)Cc3ccccc3)c3ccccc32)c1 20407961 OVFDBVLYNFUGEL-OVXWJCGASA-N 488.591 5.136 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 33457638 WZTGFIVCGJEXBQ-YVLHZVERSA-N 483.293 6.148 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)c1cccc([N+](=O)[O-])c1 33571542 JBBNOUAPZVJNBD-NVMNQCDNSA-N 453.267 6.140 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OC(=O)c1ccc(Cl)cc1 59101833 MYWJDLTYBGBZKG-OGLMXYFKSA-N 473.916 5.122 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 59266394 AYRVPLLKHBVICA-LDADJPATSA-N 497.776 6.236 50 40 JKGB COc1cc(OC)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 59335976 ZBYDANTUMVPJEC-WDZFZDKYSA-N 456.123 5.319 50 40 JKGB C[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N=C2CC(C)(C)CC(O)=C21 102590458 BBIXGHLESUQPEB-LBPRGKRZSA-N 460.397 5.579 50 40 JKGB CCOc1ccc2ccccc2c1C=NNC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 245241854 RGCJZTVRBPPIMB-UHFFFAOYSA-N 466.581 6.094 50 40 JKGB Cc1ccc(COc2ccccc2/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1 408567871 GPFKKUIYOWTACA-JVWAILMASA-N 478.639 5.582 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 408612899 XIZVDSCREPJXLP-XODNFHPESA-N 475.854 5.027 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c1 408742599 BIBZPDKEJVZLHA-ZDLGFXPLSA-N 455.316 6.566 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c1 408756361 QQLNYVPWDXMUDA-XMHGGMMESA-N 461.315 5.522 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 408800544 PNIFJYAVPDSLRT-WOJGMQOQSA-N 493.903 5.390 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(C)c3)ccc3ccccc23)cc1 408807261 GQXDGXOAGDBWJL-XIEYBQDHSA-N 490.559 6.450 50 40 JKGB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(C)cc2)cc1 408832028 PRBXTBQITWCNML-HKOYGPOVSA-N 462.549 6.672 50 40 JKGB O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccco2)cc1 408840020 WYPVZTMCBBQOCA-LQKURTRISA-N 487.899 5.168 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 408884454 XFLKRJPZBZQMAL-LFIBNONCSA-N 489.400 5.058 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(Cl)c1 408892157 BMTMTNAENKPZIB-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB Cc1cccc(COc2ccc(/C=N/NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)cc2)c1 408982076 XMYMNVWRMMUEDX-AOYMVWLXSA-N 491.591 5.586 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OCc1cccc2ccccc12 409023366 LIVDJECLABFSGZ-UHBFCERESA-N 484.939 6.591 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 409053275 BRELDDLFDYKOKA-GZTJUZNOSA-N 499.876 5.922 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)c1 409063758 MURIKDYUNFBBSO-LDADJPATSA-N 472.907 6.377 50 40 JKGB Cc1ccc2cc(/C=N/NC(=O)CSCc3c(Cl)cccc3Cl)c(Cl)nc2c1 409117635 LSGVQGORYUCZHF-PGGKNCGUSA-N 452.794 5.887 50 40 JKGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 409130682 XHAOERPVMZDATF-UBXTYJAUSA-N 482.005 5.297 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)NC(=O)C[C@@H]1c1cccs1 409143898 OIGDDBFGIMAKHQ-NSHDSACASA-N 471.913 5.131 50 40 JKGB Cc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)C(C)C)cc2)c1 409218081 HCOKXVHRGXUJNR-MBTHVWNTSA-N 477.948 5.226 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)cc1OC 409312897 NAPVHINZGHACRT-YUMHPJSZSA-N 497.389 5.589 50 40 JKGB COC(=O)c1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c3ccccc32)o1 409392504 MYZXNUBUFBIAKL-VBKFSLOCSA-N 459.889 5.268 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)cc1 2421895 HAJPTYQQIAAYMC-XMHGGMMESA-N 484.943 5.611 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cccnc1Cl)C(N)=C(C#N)[C@H]2c1ccc(Br)s1 3645059 ZLYJSETVJMGPQI-KRWDZBQOSA-N 489.826 5.500 50 40 JKGB CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2cccc(Cl)c2)cc1 8386106 IOFXACWYTNIAAR-WBSLVUJQSA-N 474.992 5.107 50 40 JKGB O=C(N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 9281388 DAWCIQVYDHOBOA-AWUWXFTQSA-N 489.535 5.714 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2)cc1 9311044 FNMSOUKEANRWCF-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3cccc(OCc4ccc(Cl)cc4)c3)[nH]n2)cc1OC 9329457 DWAMBOBYZHRDTD-RWPZCVJISA-N 490.947 5.090 50 40 JKGB CSc1ccc([C@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)cc1 9693296 KOQVEDONWVUPFX-GOSISDBHSA-N 472.433 5.390 50 40 JKGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccc(N/N=C/c2cccc(C(F)(F)F)c2)cc1 12658447 ZRRPJRZUKVKNMZ-HNZHSOEWSA-N 478.396 5.934 50 40 JKGB CC(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)c1 13174289 PLYGRMTYJMPDHX-DEOSSOPVSA-N 492.000 5.344 50 40 JKGB CC1(C)[C@@H](c2nc3ccccc3[nH]2)CC[C@]1(C)C(=O)N/N=C/c1ccc(Br)cc1 16740806 KOYLXBQSRCOEFD-PXMKGOGNSA-N 453.384 5.386 50 40 JKGB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1 20347816 KSKYAZQNZLUVDH-AREMUKBSSA-N 499.592 5.399 50 40 JKGB COc1ccc([C@@H](C)/C=N/NC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)cc1 20550413 UNLQILWURIOAEM-PJLCQNFYSA-N 451.570 6.553 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 24494501 GBUUKMPHSMGWHZ-XDHOZWIPSA-N 467.352 6.517 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1ccc(Cl)cc1 59116996 JSABOUGILUHVBY-GZTJUZNOSA-N 480.782 7.195 50 40 JKGB Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1 59255071 ZIKKVOUDTHNWKL-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB Cc1c(/C=N/NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2n1Cc1ccccc1 67192567 BHBATKDWNBSZEZ-MZJWZYIUSA-N 476.920 5.089 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 107957011 WEPKSGPBVIUXNR-GRSHGNNSSA-N 473.916 5.875 50 40 JKGB COc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4cc(C)c(C)cc4[nH]3)cc2)c1 408606125 OKFAPLBJZJNJTE-DEDYPNTBSA-N 452.514 5.270 50 40 JKGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c(-c2ccccc2)n1-c1ccccc1 408772553 MYBOMQIDEMXYEX-PWVWVZBASA-N 468.564 5.660 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1 408795117 LABNSUUNGQYJKX-RCCKNPSSSA-N 483.955 6.065 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1cccc2ccccc12 408795216 KOHDZZXTRNSXCP-ZVHZXABRSA-N 496.994 7.243 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc3ccccc3c2)c(Cl)c1 408798618 WCQXHOUJLBFRMG-ZVHZXABRSA-N 452.941 6.926 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(F)cc2)cc1 408802043 YGZCHDULLOMBJM-KGENOOAVSA-N 474.488 5.136 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OCc1cccc2ccccc12 408809065 HEWXITWLVHFFBM-UQQQWYQISA-N 492.550 6.841 50 40 JKGB C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 408810218 JHBAPUSDSOAHOR-LYBHJNIJSA-N 460.533 6.529 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1cc(C)cc(C)c1 408880460 KBIOMLACLAARRT-CIAFOILYSA-N 476.960 6.186 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(Cl)c2)c(C)c1 408893989 HVGJJJYSPZQUHO-UDWIEESQSA-N 495.804 6.844 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1cccc(F)c1 408985071 UVURXHGQGGXDCN-NVMNQCDNSA-N 485.342 6.574 50 40 JKGB C#CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1 409043126 ZRAKKEQUPNFAEQ-LQKURTRISA-N 486.984 5.983 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1cccc2ccccc12 409132858 RTSDKWLVZXPJOS-AREMUKBSSA-N 452.510 5.242 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1 409200973 KXPOPZNJUSUWAZ-ODLFYWEKSA-N 469.324 6.943 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1 409234279 KAMUMKKOYJUCMH-MNDYBZJGSA-N 481.354 6.558 50 40 JKGB Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1 409362178 HYMWPDJZICAHFM-VYYCAZPPSA-N 485.809 5.991 50 40 JKGB O=C(CNc1cccc2ccccc12)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 409392480 PQRSGFZFURVGFN-WCMJOSRZSA-N 450.517 5.544 50 40 JKGB Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC(=O)c4ccc(Cl)cc4)cc2)C(C#N)=C(N)O3)cc1 985604 BKILZQVUSVMIPR-JOCHJYFZSA-N 482.927 5.476 50 40 JKGB COc1ccc(-c2csc(N(NC(=O)Nc3ccccc3)C(=O)Nc3ccc(Cl)cc3)n2)cc1 1415237 ZBLWOZVTCATMEU-UHFFFAOYSA-N 493.976 6.247 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 1769630 QUZMETGSZHSSRS-PXLXIMEGSA-N 492.579 6.422 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(Cl)c1OCc1ccccc1Cl 2726941 YRGBJUWUSZSHPY-CCVNUDIWSA-N 487.383 6.052 50 40 JKGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 3284439 VRQKRLSIEPSPHS-ZCTHSVRISA-N 459.549 6.486 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1 4008331 HEVYAIXGTZNHPG-DEOSSOPVSA-N 488.544 5.125 50 40 JKGB O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 8721813 QKQBLVBNYJFRBT-KYMQWJLESA-N 495.366 5.287 50 40 JKGB COc1cccc(/C=C(\C#N)c2nc3ccccc3s2)c1OCc1ccc(Cl)cc1Cl 8721999 TXRWPSAQOZFZRH-GZTJUZNOSA-N 467.377 7.255 50 40 JKGB N#C/C(=C\c1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3)c1cccc(C(F)(F)F)c1 8782149 LGRFRTISPAZKPI-GHRIWEEISA-N 483.946 7.678 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 9203263 MEVRZWDIBTWHND-MZJWZYIUSA-N 480.793 5.798 50 40 JKGB COc1cccc(/C(C)=N\NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)c1 9301412 MBKZFGQMCDMLNI-XKZIYDEJSA-N 479.052 5.125 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1 10476055 DPFLTPYGXUSOFA-RDRPBHBLSA-N 483.524 5.419 50 40 JKGB N#CC1=C(SCC(=O)Nc2cc(Cl)ccc2Cl)NC(=O)C[C@H]1c1cccc2ccccc12 12250490 XDNKYMCIOKEZDU-SFHVURJKSA-N 482.392 5.857 50 40 JKGB C/C(=N\NC(=O)c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(Cl)cc1 20158935 QFBUHHMDYULSSS-MFKUBSTISA-N 457.755 5.836 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1cccc(F)c1 33722289 FWAVJUKETRRDAG-ZDLGFXPLSA-N 492.348 6.425 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CSc4ccccc4)cc3)c2C)cc1C 58927372 ROFUESWUBPSDMC-UXHLAJHPSA-N 467.638 6.767 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCc1c(Cl)cccc1Cl 59116702 VJRNRQMKONBAAI-SFQUDFHCSA-N 453.325 6.127 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(CSc2ccccc2)cc1 59473569 UDUUXQLBVZUUEX-VUTHCHCSSA-N 452.579 6.322 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OCC 408539901 KJXVFRWDSPXSMS-CPNJWEJPSA-N 462.815 7.524 50 40 JKGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1OC 408747547 PKFHPGTZYKRGTE-JYRVWZFOSA-N 480.156 5.165 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1ccc(Br)cc1 408798828 XJTSLBLXMIWMHR-YBFXNURJSA-N 492.760 6.099 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 408806072 ACYJKOMPBKETEL-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(C)cc1 408818210 ZRKRYXOLKGQWKL-ODLFYWEKSA-N 495.348 6.030 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 408856932 IFAYAQNOJXXQCD-RCCKNPSSSA-N 497.938 6.835 50 40 JKGB Cc1ccc(COc2ccccc2/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1 408858968 VCWLNDDJEUKKIG-VQNDASPWSA-N 499.614 7.104 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3ccccc3Cl)c(OC)c2)cc1 408871027 VBYJXFDWWZLHMR-WOJGMQOQSA-N 467.352 6.147 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1ccccc1Cl 408882029 PQJDSSNLIYGVIK-LDADJPATSA-N 462.889 5.171 50 40 JKGB Cc1c(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc2n1Cc1ccccc1Cl 408905412 YKXGQZDBTQEZSS-MUXKCCDJSA-N 486.915 6.070 50 40 JKGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)c1 408965914 JWDOYZWMFRGMMR-FDAWAROLSA-N 461.569 5.814 50 40 JKGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 408974196 WRDQTHFDEHHPQD-HIWKEIFESA-N 498.435 5.574 50 40 JKGB Cc1cccc(Cn2cc(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)c3ccccc32)c1 408994930 IAGIZEKREDUHJF-QDTIIGTASA-N 466.368 5.834 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Br 409043461 QXHKJKJEOOVNHO-MDWZMJQESA-N 482.147 5.685 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cc(-c2ccccc2)nc2ccccc12 409046934 SKZMOMPQINIYDI-MUFRIFMGSA-N 496.910 6.487 50 40 JKGB O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1)[C@@H](Cc1ccccc1)c1ccccc1 1719326 LPZGJRUEMWWVFF-MIAXLKPRSA-N 468.428 5.447 50 40 JKGB O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)N/N=C/c1c[nH]c2ccccc12 1808786 UKGGFIWNEGAIAX-PPOKSSTKSA-N 482.587 6.997 50 40 JKGB CCOC(=O)c1c(C)sc2c1N(C(=O)CCCl)c1cc(Br)ccc1S2 2074922 QMJIRLYCQWMQLN-UHFFFAOYSA-N 460.802 5.754 50 40 JKGB N#CC1=C(SCC(=O)Nc2cc(Cl)ccc2Cl)NC2=C(C(=O)CCC2)[C@H]1c1ccco1 2229500 ZSFKCMGFIRWYRD-HXUWFJFHSA-N 474.369 5.387 50 40 JKGB Cc1c(Cl)cccc1N/C=C(/C#N)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2283444 RGGWTZRFRRFCCT-UVTDQMKNSA-N 464.890 5.763 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCC(=O)c1ccccc1 6906919 LZHBTYVTQUNRDT-MTJSOVHGSA-N 497.532 6.053 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8450432 YGTJBBIJVQPARV-LFVJCYFKSA-N 483.572 5.216 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1Oc1nc(Cl)ncc1F 8860784 JKVBALFFAOELDD-IPPBACCNSA-N 478.911 5.306 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1cccs1 9273079 UEBYHCNREAXVFO-XYGWBWBKSA-N 482.034 5.590 50 40 JKGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1nc(O)c2ccccc2n1 12779143 YBLBMMHXPKJWGD-XMHGGMMESA-N 455.477 5.998 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@@H]1[C@H]2c3ccccc3C=CN2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 36092602 UYDDPTCNFUMGFE-SYQUUIDJSA-N 485.562 6.572 50 40 JKGB O=C(COc1ccccc1Cl)N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 57476872 WENIIOIUAMZMDM-PGGKNCGUSA-N 458.128 6.089 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)c(Cl)c1O 59336631 BCKKOBGQOKVXIC-POHAHGRESA-N 490.568 6.059 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccccc1Cl 59398733 JCWDEGORJBDQPZ-WQRHYEAKSA-N 497.776 6.236 50 40 JKGB COc1ccc([C@@H](Nc2ccc([N+](=O)[O-])cc2)P(=O)(c2ccccc2)c2ccccc2)cc1 95681612 GYEVGYLPXZWGGE-SANMLTNESA-N 458.454 5.728 50 40 JKGB IP(c1ccccc1)(c1ccccc1)(c1ccccc1)N1[C@H]2CCCC[C@H]21 104127990 XQHRMWPGGYIBNV-MAOIWGCQSA-N 485.349 5.408 50 40 JKGB O=C(Nc1ccccc1C(=O)OC(=O)c1ccc2c(c1)OCO2)c1ccc(Oc2ccccc2)cc1 104479864 VPPCUGATTCKXHO-UHFFFAOYSA-N 481.460 5.457 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408534990 XBFKNCQPNCBXBU-NSKAYECMSA-N 466.803 5.089 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc2ccccc2c1 408540686 AYGXQDJYXVHPEN-QFEZKATASA-N 492.531 6.061 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c(C#N)c1C 408546034 CWNRKVQEJWAHBA-YBFXNURJSA-N 492.000 5.885 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(F)cc1 408740285 AWOJMBSUXVOCCU-WQRHYEAKSA-N 481.321 5.721 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1)C(=O)NCc1ccccc1 408748087 YFWUBDRSEXUIDR-OCKHKDLRSA-N 499.767 6.044 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCC 408758129 GVIKOYJSQOXEFC-ZROIWOOFSA-N 494.183 5.555 50 40 JKGB COc1c(Cl)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 408793509 PHNPPPIGNZOVCY-ONNFQVAWSA-N 460.542 5.964 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408793863 GHWJZHSKVNDDGM-LICLKQGHSA-N 451.841 5.512 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc([N+](=O)[O-])cc2)cc1 408799264 KBISVGIMRXWHTM-XSFVSMFZSA-N 473.485 5.127 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(Cl)c1 408804512 XZKQXNXDBKUDOH-CAOOACKPSA-N 498.322 6.035 50 40 JKGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 408827447 CZTRNIJKDDSMHO-LDADJPATSA-N 497.776 6.236 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)sc(C)c1C 408860264 ZMGOJKSEJIXGHL-ZMFRSBBQSA-N 463.559 5.459 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)c(C)c1 408911826 OMDPKUVOPDGPOS-FDAWAROLSA-N 488.031 6.441 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccc(C(=O)O)cc1 408921558 BCWFPXAMHMESBA-RCCKNPSSSA-N 482.923 6.316 50 40 JKGB Cc1ccc(Cn2cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c3ccccc32)cc1 408961302 MKJJOXVBTHAQPN-MZJWZYIUSA-N 452.470 5.416 50 40 JKGB COc1cc(/C=C(\C#N)c2ccccc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 409048108 RMTRHJAIUHCPGX-UDWIEESQSA-N 477.358 5.848 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Cl)c1OCc1cccc(F)c1 409050941 DWEJAKDYRIWVHQ-XODNFHPESA-N 475.347 6.183 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 409055062 IBEPBWDSXVQNTH-FRKPEAEDSA-N 492.189 7.425 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OCC)c1OCc1cccc(Cl)c1 409075006 WLHWGZDZUFWBFH-HYARGMPZSA-N 470.956 7.252 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(C(=O)O)cc2)cc1 409075151 VHTYUENNHGIMIL-VXLYETTFSA-N 481.335 6.125 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)o2)c(Br)c1 409165862 AZLUVHJYCAYKQS-AUEPDCJTSA-N 452.135 6.088 50 40 JKGB C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OCC)c1OCc1ccc(F)cc1 409234458 WVYCWTPBYLXDJD-LQNQUEJISA-N 464.512 5.364 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1C#N)c1ccccc1 409246182 GBYBRIYAINLUPC-VLZFXTDASA-N 486.369 5.684 50 40 JKGB Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccccc3)cc2Cl)c1 409267001 ZVSJVFQWGCNEHP-ZMFRSBBQSA-N 456.329 5.083 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1 409267069 SCEHNKJMEUPJMH-ZMFRSBBQSA-N 456.329 5.083 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OC)ccc1OCc1ccccc1 409313972 PZOMWSKYDPJRQR-YSMPRRRNSA-N 483.362 5.199 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OC)c(OCC)c2)ccc1OCc1ccccc1 409334463 LTFCZROIKCWQLB-NTFVMDSBSA-N 482.964 5.489 50 40 JKGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(COc2ccc(F)cc2Cl)c(C)cc1C 650564 SXDLIBUGCFRBNR-HSZRJFAPSA-N 470.928 5.320 50 40 JKGB CC(=O)N(NC(=O)C(O)(c1ccc(C)cc1)c1ccc(C)cc1)[C@@H](c1ccccc1)c1ccc(C)cc1 720628 OOOWHUPOIFNJCR-PMERELPUSA-N 492.619 5.517 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 1057053 CIKFUCBMLVPGQX-JOCHJYFZSA-N 478.390 5.399 50 40 JKGB C[C@H](Br)[C@H](OC(=O)c1ccccc1Cl)c1cc2c(cc1Br)OCO2 1614639 OYRYQINIKOPUTO-FVMDXXJSSA-N 476.548 5.513 50 40 JKGB N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2329353 DNTAOGUSSXZDSR-YMGIJWJESA-N 473.985 5.083 50 40 JKGB aggregator CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1ccccc1Cl 2774546 NOAQGJCOBALBFP-JFLMPSFJSA-N 452.938 5.399 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 2800879 FABMLIDLVNKUER-XDHOZWIPSA-N 487.342 6.911 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(I)cc1 10476100 MTGZMGQCVNTZTD-ZMOGYAJESA-N 490.728 5.288 50 40 JKGB CC[C@H](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](Br)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 12661156 KBSDBYDTKXUZDW-TZWMKDIRSA-N 493.614 8.686 50 40 JKGB biogenic CCOc1ccc(-c2cc(C(=O)N/N=C/[C@H](C)c3ccc(OCC(C)C)cc3)c3ccccc3n2)cc1 20176998 XRCSMEZIVCGOSF-ANRZLXOVSA-N 495.623 6.855 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1sc2c(c1C#N)CCCC2 35129018 GSCFWLSAZVEGTK-YVLHZVERSA-N 495.435 6.759 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cccc2ccccc12 59224554 YGDPWISYULMQBR-LTGZKZEYSA-N 452.897 6.258 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 209483525 KGRKKFRQYNNULU-RGVLZGJSSA-N 452.323 6.548 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccccc1OCc1ccccc1Cl 408535658 ZJMFCELEGOUSPZ-VFLNYLIXSA-N 461.871 5.500 50 40 JKGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1 408567356 MBJOQGWZTASWEL-OCSSWDANSA-N 458.005 6.333 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(OCC)c1OCc1ccc(Cl)cc1 408581448 WWNCUSFZROKJMG-BUVRLJJBSA-N 489.999 7.128 50 40 JKGB O=C(NNc1ccccc1OCc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408610910 VBVJUHXPUAEBSA-INIZCTEOSA-N 488.346 5.208 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccc(N2CCCC2)cc1 408676478 JDNMNXKIYARGOQ-LQKURTRISA-N 468.384 5.937 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)c(Br)c1 408745961 BMUQNOJIXOUVNY-OGLMXYFKSA-N 489.369 5.404 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(C)cc1 408754544 NWLORZQWVVBZPR-BKUYFWCQSA-N 491.385 6.281 50 40 JKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 408822130 LAKZAYZZFMZWRT-YBFXNURJSA-N 497.378 6.444 50 40 JKGB COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3c4ccccc4cc4ccccc34)cc2)cc1 408838194 CQTYYTQONNGZTL-ZCTHSVRISA-N 473.532 6.018 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 408870645 WFZUVDNLFPYVDF-BYNJWEBRSA-N 491.657 5.359 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccccc1Cl 408872852 KARWHUIKVZSUOK-WOJGMQOQSA-N 486.196 6.892 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC(=O)c1cccc2ccccc12 408882348 QVEXKAYLRKIOJC-XSFVSMFZSA-N 493.475 5.521 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2Cl)c1 408888079 WMXZQMJMJVSPEQ-SRZZPIQSSA-N 465.380 7.043 50 40 JKGB Cc1cccc(Cn2cc(/C=N\NC(=O)COc3ccc(-c4ccccc4)cc3)c3ccccc32)c1 408997589 RXNGTJVRWVFKJT-MZFJOGFUSA-N 473.576 6.194 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)cc2c1 409187097 LZBDFUNIDBGDCC-MNDYBZJGSA-N 498.514 5.328 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)cc1Cl 409259940 IBQRDUPJALPPEI-LICLKQGHSA-N 498.341 6.004 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(O)c(OCC)c2)ccc1OCc1ccccc1 409321856 HPOHCXGPSSWLLC-DICXZTSXSA-N 468.937 5.186 50 40 JKGB C=CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OCC)c1 409323991 QPJRFDCIISGLNY-QRQIAZFYSA-N 464.949 5.646 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccccc1C#N 409390661 GKEMCDVHABGSSK-UKWGHVSLSA-N 463.306 6.112 50 40 JKGB Cc1cc(N(CCCl)CCCl)ccc1/C=N/c1cc(Br)cc(Br)c1 1704199 WLAHXRQDYPUMKK-FSJBWODESA-N 493.070 6.555 50 40 JKGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 2298358 RZWKLXCBJMBKOF-UZWMFBFFSA-N 485.543 6.304 50 40 JKGB Cc1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)P(=O)(c2ccccc2)c2ccccc2)cc1 3177643 XXXLQIFFZBJXQH-SANMLTNESA-N 495.968 5.640 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)c2C)c(C)c1 12524563 DJHSFANRDNHHBM-XIEYBQDHSA-N 478.600 5.192 50 40 JKGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 13176775 IQKARVQQMKKHMO-JOCHJYFZSA-N 498.435 6.103 50 40 JKGB Cc1c(/C=N\NC(=O)[C@@H]2COc3ccc(C(C)(C)C)cc3O2)c2ccccc2n1Cc1ccccc1 13533298 RPOOVOFKNAOZCK-MTSMNVCVSA-N 481.596 5.586 50 40 JKGB N#C/C(=C\c1c(Br)cc(Br)c(O)c1Br)c1nc2ccccc2[nH]1 16525043 GMWVAQALHULSBB-VMPITWQZSA-N 497.972 5.620 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)cc1 16688909 UQBHKKKKPAGFAS-FYAMCCBRSA-N 488.012 5.967 50 40 JKGB CCc1c(C)sc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)c1C#N 20191305 YXMZOOUGJGUKIE-DEDYPNTBSA-N 450.567 6.039 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3[N+](=O)[O-])c2C)cc1 20198197 AKOADWBGAUKSDY-AFUMVMLFSA-N 454.914 5.208 50 40 JKGB O=C(N/N=C/c1cccc(Br)c1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 20240608 ZYLVJQNKODAYSR-VUTHCHCSSA-N 490.445 5.668 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl 59117228 AFUQQQFDYKVNGA-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Cl)c2)cc1 59335276 NOBHACQEWRLLFD-LSCVHKIXSA-N 481.335 6.155 50 40 JKGB Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@H](c2cccs2)C2=C(O)CCCC2=N1 95483887 CRIJRZZWCHKLOH-OAQYLSRUSA-N 470.019 6.351 50 40 JKGB COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCC(=O)Nc1ccc(C)cc1 101077514 BRHYFWSOLCWPIP-NHDPSOOVSA-N 491.551 5.030 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 408544087 RTDGDZIACUUMLV-RQZCQDPDSA-N 454.313 5.645 50 40 JKGB CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 408554679 SRJYOPSCHCWICM-RIYZIHGNSA-N 486.391 5.214 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1nc2ccc(F)cc2[nH]1 408570419 UUZUXSHYSXPLIS-SXGWCWSVSA-N 493.292 6.016 50 40 JKGB O=C(N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)C(=O)Nc1ccccc1Cl 408612922 XLKOCWBANGRGSJ-LUOAPIJWSA-N 494.737 5.454 50 40 JKGB N#C/C(=C\c1ccccc1)C(=O)Oc1ccc(C(=S)N2CCCCC2)cc1Br 408753289 NMZWTRUFYXLZSH-QGOAFFKASA-N 455.377 5.123 50 40 JKGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1OCC 408798720 WTNKXBUVBQELTC-LDADJPATSA-N 455.352 5.521 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2c(C)ccc3ccccc23)c1 408800756 PFKWXNMABZVDKG-HZHRSRAPSA-N 466.968 7.235 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1 408803099 LFWOWJVJNMFPAG-DEDYPNTBSA-N 462.933 5.872 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408806333 MQKZPWLALMDHHZ-RQZCQDPDSA-N 468.296 6.026 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1C 408819222 XDSFXPFAPVLEAS-UDWIEESQSA-N 451.353 6.735 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccc(F)cc1 408820447 WDCDNDTZSORTED-YVLHZVERSA-N 499.311 5.861 50 40 JKGB Cc1c(Br)c(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1 408856950 LUFCOXGIVXRYDT-WKIKZPBSSA-N 478.312 5.568 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(F)c2)cc(C)c1OCc1ccc(Br)cc1 408858235 XWQQIIGZZJAGIX-LGJNPRDNSA-N 455.327 5.548 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Br)c1C 408885549 BTRVJESNKSBOHV-KGENOOAVSA-N 461.359 6.191 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccccc1 408889570 FJKUDZGOFJGXOY-WOJGMQOQSA-N 453.325 6.127 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccccc1Br 408894372 HXRZLLOWZMROGT-FYJGNVAPSA-N 491.385 6.199 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccccc1C(=O)O 408923889 KXEBJGOWRIAYMH-HMMYKYKNSA-N 482.923 6.316 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1 409135376 URAKLCOWEPWDPV-JOCHJYFZSA-N 464.308 5.368 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(O[C@@H](C)CC)c(OC)c3)cc2c1 409186568 DWXMLYPSPZQUHO-IDFPFIHXSA-N 489.366 5.544 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1OC 409312516 LWXKJVDAZMXWCH-VYYCAZPPSA-N 456.901 5.229 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC 409318979 ZEKXQPWCZJJHCA-MBTHVWNTSA-N 487.383 6.134 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccccc2Cl)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1F 2369497 DHTPNUYRFKGCTK-JOCHJYFZSA-N 467.953 5.280 50 40 JKGB O=C(N/N=C/c1sc(Nc2ccccc2)nc1Cl)c1cc(-c2ccncc2)nc2ccccc12 8826275 FGBSXCUDNLSGSM-RWPZCVJISA-N 484.972 5.914 50 40 JKGB CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1OC 9292975 VOPIVPCTJSOIFT-RUZDIDTESA-N 494.551 5.281 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2ccc(F)cc2)cc1 16309698 ONRMEFDBCPREBF-UHFFFAOYSA-N 473.614 5.038 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@@H]1c1ccco1 20348196 IGXXHRKBMKXBAI-HSZRJFAPSA-N 488.540 5.431 50 40 JKGB COc1ccc(OCc2cc(/C=C(\C#N)C(=O)NC(C)(C)CC(C)(C)C)ccc2OC)cc1 20467911 UGKXHVZFHDREFO-XSFVSMFZSA-N 450.579 5.521 50 40 JKGB O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1cc(Br)ccc1O 23382504 GFNJZUZHDWRERY-JFLMPSFJSA-N 475.342 5.651 50 40 JKGB COc1cc(/C=N\NC(=O)[C@H](C)Oc2ccccc2)ccc1OCc1cccc2ccccc12 32114690 VNESBUPXJQHFPC-BEBKROGQSA-N 454.526 5.345 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Cl)c(Cl)c1 59202220 UFAQKIXPGDIZHX-CIAFOILYSA-N 495.406 7.134 50 40 JKGB COc1cc(/C=N\c2ccc(-c3nc(C)sc3C)cc2)ccc1N(CCCl)CCCl 104092256 MZNGBSPQEUDNPZ-YSMPRRRNSA-N 462.446 6.470 50 40 JKGB Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N\c1ccccc1)=N\NC(=O)c1ccccc1 104315709 YXSCJIQLOCNIKL-LWTAQIOSSA-N 463.545 5.504 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OCC)c1OCC 107594930 VMTBMLLNLSSBLM-CPNJWEJPSA-N 461.587 5.570 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408580843 SBLWWERSTNALLP-XDHOZWIPSA-N 468.431 7.177 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1OC 408582311 MVAMSYVZQDRYKE-VXLYETTFSA-N 497.378 6.401 50 40 JKGB Cc1c(Br)cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1Br 408598770 BAYNUHNXYRNFME-SSDVNMTOSA-N 452.190 5.581 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Br 408734656 IDFDKTWWJCNWOP-NTUHNPAUSA-N 496.586 5.975 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1F 408746607 SZYIQWXEFAUNHW-YBEGLDIGSA-N 472.745 6.195 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 408790664 XPEOMXWCUVHVQS-LFVJCYFKSA-N 484.552 5.695 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1C 408792127 IGWSFAFZXUTDMW-KEBDBYFISA-N 495.362 6.433 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OCC 408794443 SGVFTDQPEALSHQ-CXUHLZMHSA-N 475.770 5.920 50 40 JKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 408798489 FPRVBMQKLSVUOW-DEDYPNTBSA-N 473.485 5.045 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c(C)n1-c1ccc(I)cc1 408801422 SXNRLRWDJVDFRG-STSOMYGVSA-N 487.385 5.301 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1C 408804752 HEYJQTLMTMDRAS-UDWIEESQSA-N 495.804 6.844 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)c1C 408807630 DNYKWIFFNSXLRM-RGVLZGJSSA-N 495.804 6.844 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1OCc1ccc([N+](=O)[O-])cc1 408868209 MYXUQZZOEQQBHH-PXLXIMEGSA-N 471.513 5.681 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3cccc(F)c3)ccc3ccccc23)cc1Cl 408877894 XSKZPWBKVYHJMR-PXLXIMEGSA-N 454.932 7.077 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1cc(C)cc(C)c1 408879396 DEKCDHBHFSFBGO-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cccn2-c2ccc(N(C)C)cc2)cc1 408942920 LMFWMDQARDZZFW-JDCMOKTRSA-N 487.607 6.073 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc([N+](=O)[O-])c(Cl)c2)c1C 408981808 CQNDMCATLRYVEF-YVLHZVERSA-N 469.328 6.163 50 40 JKGB C=CCn1c(C)c(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c2ccccc21 409001556 JBDJNLLGPWOZJU-RLBBTWETSA-N 464.569 5.147 50 40 JKGB Cc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 409184564 GYVFUMADWXFMLC-ZMOGYAJESA-N 456.409 5.407 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 409268887 ZDADUBIMULYBRV-GZTJUZNOSA-N 468.296 5.983 50 40 JKGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3Cl)=C2C#N)cc1 409320807 RDPXMGINPCDFNU-MRXNPFEDSA-N 476.385 5.103 50 40 JKGB COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@]12C 888090841 XDHSPKUJYNEBHS-WYCCZNHPSA-N 481.471 5.308 50 40 JKGB Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1 2322165 CJESXNYGVVJJRU-UXHLAJHPSA-N 497.668 6.091 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(F)cc2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 2869042 PMULBCQYWCYDOD-VCHYOVAHSA-N 483.293 6.148 50 40 JKGB O=C(COc1ccc(Br)cc1Br)N/N=C/c1ccc(Cl)cc1Cl 8722433 DIUZWQRKLAWZJK-IFRROFPPSA-N 480.971 5.048 50 40 JKGB O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 9128848 KVTIUGKCXDEOCR-UHFFFAOYSA-N 472.010 5.021 50 40 JKGB C/C(=N\NC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 9763590 OUWSTWWWPIRXCK-FMIUBPIRSA-N 495.579 5.099 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 33382656 VCAMGMSLHZOATM-KBKYJPHKSA-N 490.412 5.803 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC)c(C(=O)OCC)c1C 35166670 WHHBSBZYLZKLIL-MHWRWJLKSA-N 489.977 5.181 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1F 59291984 ZLPCSCJUPJSXLD-DEDYPNTBSA-N 464.924 6.311 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(F)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 59292013 LICUSWKXEIFQIY-LICLKQGHSA-N 451.841 5.512 50 40 JKGB CCCCCCCOc1ccccc1/C=N/NC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1 100171839 FWKONMQFEVMGKO-TWKHWXDSSA-N 479.020 7.032 50 40 JKGB CCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103528101 CCNXQDBADRPQIJ-VIFPVBQESA-N 472.173 7.009 50 40 JKGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc21 208456876 PZBXIEOUFRXQOH-NDZAJKAJSA-N 453.586 5.013 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1OC 408539052 DXTAIIWSZCIYPG-VEILYXNESA-N 452.982 6.154 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408545367 YGSYASJEDRSNGL-JAIQZWGSSA-N 468.336 6.733 50 40 JKGB O=C(CSCc1cccc(Br)c1)N/N=C/c1ccccc1OCc1ccccc1 408719187 LFPGLNTYOCXBIF-AFUMVMLFSA-N 469.404 5.412 50 40 JKGB N#C/C(=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1 408734846 KNHWWXJKFYXANZ-XSFVSMFZSA-N 483.911 6.526 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)c1 408743636 HKJUHNWCLZRSLJ-ODLFYWEKSA-N 465.322 6.021 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)c1 408756446 VFLGJUTXTKMJAJ-HZHRSRAPSA-N 464.521 5.982 50 40 JKGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)o2)cc1 408764248 SOESAVRQMYTGTR-WJDWOHSUSA-N 451.276 5.041 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1cccc(F)c1 408790219 VFEWYDJKMGZZQT-RQZCQDPDSA-N 497.320 5.427 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)c1 408791148 UVPXGFNKPFFVHD-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(Br)c2)cc1 408797199 QHRYKBCHVATWDB-FYJGNVAPSA-N 461.359 6.191 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(OCc2cccc([N+](=O)[O-])c2)c1 408819099 YDYKVTADRVKHQK-LDADJPATSA-N 463.877 5.381 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1cccc(F)c1)c1cc2cc(Br)ccc2o1 408849292 VXLMBBGQZIQOOZ-ZMFRSBBQSA-N 467.294 5.677 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC(=O)O 408853000 YAALBXNTVZXUNC-DXJNIWACSA-N 493.563 5.409 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c([N+](=O)[O-])cc1OCc1ccccc1 408853711 QXKQHVOLKUPSIB-YVLHZVERSA-N 498.322 6.035 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 408862225 DOUDMSQNAJEVHU-TURZUDJPSA-N 451.035 7.106 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 408866074 FNFKVXVMQPDXAJ-DEDYPNTBSA-N 461.905 5.935 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1Cc1cc(C)cc(C)c1 408881121 JNWPOUMFVGKJQK-BUVRLJJBSA-N 473.414 6.765 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)c1OCc1ccc(Cl)c(Cl)c1 408883884 XALABUILYCAHHO-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OS(=O)(=O)c1ccc(C)cc1 408895627 NSQXRSQCPIQEHA-CPNJWEJPSA-N 496.972 5.279 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1cc(Cl)cc(Cl)c1 408924629 PRKVTRPFXOEUQS-BHGWPJFGSA-N 465.178 5.927 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)NCCc1c[nH]c2ccccc12 408953218 PEPGZGMZGYTTKT-JCMHNJIXSA-N 455.945 5.666 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1cc(-c2ccccc2)nc2ccccc12 409039578 WXQWMWCZSYQNNA-BIZUNTBRSA-N 491.978 6.898 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409045029 XNYVQQDKBFKYGS-UDWIEESQSA-N 489.959 5.529 50 40 JKGB C#CCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2cccc(C)c21 409046955 SPVOPNNKOQBGNZ-DXJNIWACSA-N 456.549 5.870 50 40 JKGB CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1 409050744 ZEJREBXIWSLWEQ-UXHLAJHPSA-N 492.604 6.870 50 40 JKGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)c1C 409117707 MCUFJMATJYCGTO-KKMKTNMSSA-N 474.457 6.401 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccccc1 409187605 SITVNUJNYZKEMC-XDHOZWIPSA-N 469.176 6.855 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 409358712 GBBPDFMFYYBLIN-YSMPRRRNSA-N 467.363 5.038 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccc2c(c1)OCO2 409369222 IEFWVWOVEMIONM-OPEKNORGSA-N 487.737 5.174 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)ccc1OCc1ccccc1C#N 409393560 YNDSNDHHJQGBAU-MTJSOVHGSA-N 450.498 5.485 50 40 JKGB COC(=O)[C@@H](C)c1ccc([C@@H](Br)CC(C)(C)C)c(-c2ccc(C(F)(F)F)cc2)c1 575362712 OSHXFLPIIDVOTF-XOBRGWDASA-N 471.357 7.521 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(C)c3)C(=O)N2c2ccc(Cl)cc2)cc1 935245 RHMMGHYHAGRFQW-NLTRVXJZSA-N 488.012 6.022 50 40 JKGB N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)cc1 941255 KJKCNNVQLARWAE-IWGRKNQJSA-N 496.530 5.741 50 40 JKGB CCOc1ccccc1N/C=C(/C#N)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 1773886 YTJWOFUUJXAWOF-QINSGFPZSA-N 460.471 5.200 50 40 JKGB COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 2176426 JYQAKTUQRVXMMI-WTCIIHMJSA-N 499.570 5.923 50 40 JKGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 8448727 JMTPSXFSBCCNEQ-ZRIRCBQDSA-N 455.385 6.805 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 8812103 XKDNMSLJYAJCSD-LUOAPIJWSA-N 481.738 6.137 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)sc2c1CCCC2 12437090 MRUVHIFJOZBTJZ-HKWRFOASSA-N 473.598 5.757 50 40 JKGB O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\C(Cl)=C\c1ccccc1 19849063 GEXUZTXXZDUANC-UDBQDAEISA-N 495.435 6.212 50 40 JKGB O=C(CCCCC(=O)NN=C1CCC(c2ccccc2)CC1)NN=C1CCC(c2ccccc2)CC1 20510038 NUWZCTOZLIOACB-UHFFFAOYSA-N 486.660 6.207 50 40 JKGB CC/C(=N\NC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1ccc(Cl)s1 20551542 PONXMEIYLLVRSM-XHLNEMQHSA-N 462.018 7.284 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1Cl 20921962 LRLPMQBZMXRXAN-SFQUDFHCSA-N 479.895 5.051 50 40 JKGB N#C/C(=C\c1c(F)cccc1Cl)c1nc(-c2cccs2)c(NC(=O)c2cccs2)s1 26771318 VPVRCWHVXAAVIN-ZRDIBKRKSA-N 471.991 7.042 50 40 JKGB COc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 28215913 VCIIHZBCJVPCOO-RPPGKUMJSA-N 476.429 5.793 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)c(C)n1-c1cccc(Br)c1 28216035 IZQHRENWSFNDDK-BRJLIKDPSA-N 490.854 5.894 50 40 JKGB Cc1cc(C(=O)Oc2ccc(/C=N\NC(=O)[C@H]3C[C@H]3c3ccc(C(C)(C)C)cc3)cc2)ccc1[N+](=O)[O-] 30738602 ZJLJIUJLFZGTMJ-JLUQKLKGSA-N 499.567 5.674 50 40 JKGB N#C/C(=C/c1ccccc1)C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1Cl 33678051 ZKHZSHRZUMZYOD-WJDWOHSUSA-N 472.353 5.340 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1cccc2ccccc12 33776161 QBCDBKRZRBVMSJ-UXHLAJHPSA-N 481.552 5.540 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cccc(F)c1 59297050 HHWHJMDFXDEBBK-VCHYOVAHSA-N 470.422 5.978 50 40 JKGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(CSCc4ccccc4)cc3)cc2)cc1 59473017 SJMSTUIVMHUXLA-ZCTHSVRISA-N 480.633 6.771 50 40 JKGB Clc1cc(C(Br)Br)c(Cl)cc1C(Br)Br 68563757 QLDHBIIXUQDUII-UHFFFAOYSA-N 490.642 6.570 50 40 JKGB CCCCCOc1ccc(CN2C(=O)/C(=N/NC(=O)COc3cccc(C)c3)c3ccccc32)cc1 103041319 NZDCSOCCTNCDCU-CCFHIKDMSA-N 485.584 5.010 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)Sc1nc2ccccc2s1 108052527 REKZWDZIISQBCZ-YBFXNURJSA-N 469.418 7.839 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)c1nc2ccc(F)cc2[nH]1 408566291 FQAVTYCSQYJJEV-IDUWFGFVSA-N 463.299 6.524 50 40 JKGB Cc1c(/C=C(\C#N)c2cccc(Cl)c2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 408598896 KTISTBQKDPRDQT-CPNJWEJPSA-N 451.784 8.022 50 40 JKGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 408725738 JGLJCEKGPPWYCT-DHRITJCHSA-N 473.754 5.454 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2Cl)c2ccc(C(C)C)cc2)cc1 408768949 MUHPBDLFEBJMIU-JVWAILMASA-N 484.021 5.117 50 40 JKGB CN(C)c1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 408786569 KWOKOWPMSWEBOU-XLNRJJMWSA-N 481.983 6.684 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c1C 408788043 AGSUARVRGXNINY-RGVLZGJSSA-N 461.905 5.990 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 408794500 JHXHLPKSUAZDNY-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3cccc(F)c3)c(OC)c2)cc1 408868310 NXKYVIFMYDLAMB-VCHYOVAHSA-N 450.897 5.633 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccccc1C(=O)O 408879763 FJECKYSOHWMPCN-GZTJUZNOSA-N 467.308 5.816 50 40 JKGB O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccccc1-n1cccc1 408885655 DLIAVMHKOSSZPP-TWKHWXDSSA-N 459.505 5.614 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(F)c2)cc1 408886336 JZMYNZQYMHPOML-XDHOZWIPSA-N 464.880 5.390 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408892853 DGHOGYAAGAAAOW-NTEUORMPSA-N 499.266 6.148 50 40 JKGB Cc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 408893779 NAMGDYUWWOQUJM-XMHGGMMESA-N 461.315 5.522 50 40 JKGB COc1cccc(/C=N/NC(=O)COc2c(C)cccc2C)c1OCc1ccc(Br)cc1 408909890 FKAVMPZTTHABNQ-MZJWZYIUSA-N 497.389 5.183 50 40 JKGB Cc1ccc(Sc2oc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)cc2Br)cc1 408913514 LMIGJWOSPNZFBB-UVTDQMKNSA-N 473.779 6.701 50 40 JKGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1 408978610 JJJHVSBYICPCEE-ONWFOFBKSA-N 477.564 5.277 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Br)cc1 408979464 QQZOWJSVZHYXGQ-CPNJWEJPSA-N 474.358 6.367 50 40 JKGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)COc1cc(Cl)cc(Cl)c1Cl 409015028 RKBQKRXCYKOBJM-RPPGKUMJSA-N 465.764 6.118 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1 409086575 WAOJVNNNXYFIFO-OQLLNIDSSA-N 489.793 7.032 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(C(=O)O)c1 409192004 SDQKSCSMSDSCOB-RPPGKUMJSA-N 473.312 5.043 50 40 JKGB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1O 409225302 MRWYKODHXCUQIB-BUANEJJOSA-N 455.297 5.082 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1OC 409363119 LAOOSULPRXYXKC-FDAWAROLSA-N 477.564 5.553 50 40 JKGB N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 935218 HOMPCDJDJODJME-YMGIJWJESA-N 491.975 5.222 50 40 JKGB CCCCOC(=O)c1ccc(NC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)cc1 1801204 RHSUCNZCXOOCQP-MSOLQXFVSA-N 483.200 5.482 50 40 JKGB Cc1onc(-c2ccccc2Cl)c1C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 2089883 XIRGDARUDQPJLC-WKULSOCRSA-N 468.944 6.070 50 40 JKGB O=C(NNc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3)c1ccc(Cl)cc1 2217920 FKVIBHITFXTUCH-UHFFFAOYSA-N 456.999 5.252 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9057405 HNPGYYPQEYMDOW-KPKJPENVSA-N 462.676 6.361 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(I)cc1 10476135 HSHZDMSTKKWRBW-LSHDLFTRSA-N 485.108 5.622 50 40 JKGB Cc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(OCc5ccccc5)c4)CC(=O)N3C2)cc1 12251015 KTOBYXQSQPNFOD-VWLOTQADSA-N 467.594 5.794 50 40 JKGB COc1ccccc1/C=C\C=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1 12466475 PAODBATXKCMOAQ-GSDRVJGFSA-N 491.063 5.400 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(C(=O)OC(C)C)c3)c2C)cc1 20197762 RCKRIWJIDCFSRD-OGLMXYFKSA-N 461.562 5.212 50 40 JKGB CCc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3nc4cc(C)c(C)cc4[nH]3)cc2OC)cc1 34846830 YJQNEMXOLKIHHD-HMAPJEAMSA-N 480.568 5.832 50 40 JKGB O=C(N/N=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccc(Cl)cc1Cl 35415589 WJEBYHBNUPAAGU-FXMZOFOKSA-N 491.205 7.067 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1O 97994788 BMRDNVWPHXFKAS-YVLHZVERSA-N 494.301 5.188 50 40 JKGB CC(C)c1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2cccc(C(F)(F)F)c2)C3)cc1 408726329 BGBVCMIRFHEUDU-CPDSRJINSA-N 451.492 6.113 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(I)c(C)c3)c2C)cc1 408771477 IGPJUEJXQBQISK-MOSHPQCFSA-N 495.364 5.861 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc2c(c1)OCO2 408796485 AIZMNUVJKKEGEZ-QMFLXTPQSA-N 470.525 5.177 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 408799161 YBDKFZPKHIRQEJ-DEDYPNTBSA-N 494.950 6.401 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408811724 AJAYPTTWDILRGM-YSMPRRRNSA-N 493.626 7.247 50 40 JKGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 408870085 UVANRNILUCVKKJ-NTEUORMPSA-N 451.242 5.578 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1F)C(=O)Nc1ccc(O)cc1 408877948 YVLHYJTUKHLJSO-LDADJPATSA-N 451.295 5.430 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(Cl)c2)cc1 408889110 DRPZYLPPWYKQRG-LDADJPATSA-N 497.776 6.236 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1O[C@@H](C)CC 408946110 OWVACBFVOBGNGQ-QOWQLIIWSA-N 493.785 6.189 50 40 JKGB CCCCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Br)cc3)o2)cc1 409064191 OGVYLBXXPHBHSW-MFKUBSTISA-N 469.335 5.430 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc(C)c4)c(Cl)c3)cc2c1 409187567 RYACHNKQFBUWSP-NUJZUDFISA-N 497.378 6.790 50 40 JKGB O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1cccc2ccccc12)c1ccc2c(c1)OCO2 409218164 DDZDENOJZAWHKU-MUXKCCDJSA-N 472.884 5.205 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)n1 409239610 ZPACMKOPKHXDAT-OPEKNORGSA-N 475.401 5.222 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)cc1 409255900 JIWUBBFWGOKFHY-PXLXIMEGSA-N 469.541 5.265 50 40 JKGB CC(C)Cn1cnc2c(N=Nc3ccc(N(CCCl)CCCl)cc3)nc3ccccc3c21 2362801452 GXSMMSBARNIKQE-UHFFFAOYSA-N 469.420 6.940 50 40 JKGB O=C(N/N=C/c1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1)c1ccco1 1061722 PSMUKQBNVYMZLB-PCLIKHOPSA-N 455.499 5.035 50 40 JKGB ClC(CN(Cc1ccccc1)Cc1ccccc1)CN(Cc1ccccc1)Cc1ccccc1 1661325 XIJQXCZGZXLICW-UHFFFAOYSA-N 469.072 6.999 50 40 JKGB Cc1ccccc1-n1c(SCC(=O)N/N=C/c2c(Cl)cccc2Cl)nc2ccccc2c1=O 2234519 YAOKXSIXIZUKGW-UVHMKAGCSA-N 497.407 5.243 50 40 JKGB Cc1ccc(Sc2oc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Br)cc1 8722173 IVUUIUCESNLCEU-GZTJUZNOSA-N 467.388 6.664 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 9262225 DIYHGEXSJIAMQO-WYMPLXKRSA-N 460.759 5.039 50 40 JKGB C/C(=N\NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1ccc(C2CCCCC2)cc1 12496861 WWDFNVRMQYMDIX-MTDXEUNCSA-N 456.615 6.597 50 40 JKGB N#CC1=C(N)OC2=C([C@@H]1c1ccc(Cl)cc1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12 20558424 UFKMFICEFZQZIM-JOCHJYFZSA-N 493.947 5.006 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc([N+](=O)[O-])c1O 36160083 YQORPJZLRSLFHK-AWNIVKPZSA-N 458.293 5.259 50 40 JKGB CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 38680383 NAENIWSAEGZUOE-XMMPIXPASA-N 492.934 6.095 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2ccccc2F)cc1 58925213 MAAAKQCNIMLXGZ-UHFFFAOYSA-N 473.614 5.038 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1cccc(C(=O)O)c1 59250546 DAODFBRKGHTDRZ-NHDPSOOVSA-N 453.498 5.530 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc(Br)cc1 59435254 RPFVZAUJWKWRRL-DHRITJCHSA-N 489.822 5.924 50 40 JKGB N#C/C(=C/c1sc(N2CCOCC2)nc1-c1ccccc1)c1nc2ccccc2n1C(F)F 96973280 MELVZGUEZFWIAS-VKAVYKQESA-N 463.513 5.456 50 40 JKGB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1 98005969 ABZBVOCCJRWUIA-UHFFFAOYSA-N 466.399 6.423 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2s1 108065645 ZSAYPJPFUDOBMZ-VULFUBBASA-N 454.511 5.576 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 209387175 YKPUSROOMRAAKS-GHXNOFRVSA-N 452.124 7.106 50 40 JKGB Cc1cc2nc(/C(C#N)=C\c3cn(Cc4ccc(F)cc4Cl)c4ccccc34)[nH]c2cc1C 408542506 JIDBVAIVEGAROG-ODLFYWEKSA-N 454.936 7.039 50 40 JKGB COC(=O)c1ccc(C)c(-c2ccc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)o2)c1 408568966 LPTBOFMXVAWNJH-VULFUBBASA-N 496.610 5.049 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCc1cccc(F)c1 408817222 KYSOAQHXZJWEEJ-HMAPJEAMSA-N 474.507 6.217 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccccc1F 408819691 RFZZMAISBZLEDD-YVLHZVERSA-N 454.860 5.751 50 40 JKGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1OC 408861823 DNMUABHTOGOIQD-WEMUVCOSSA-N 497.639 5.479 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1c(Cl)cccc1Cl 408887179 OTVCKHJXXDBYDP-WKULSOCRSA-N 479.363 6.498 50 40 JKGB CC(C)c1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 408906840 IZSHINPFRYNCPN-JVWAILMASA-N 484.021 5.194 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1)c1ccc(Br)cc1 408995360 BSMQGTBCRAUKHD-ZMOGYAJESA-N 456.727 5.119 50 40 JKGB CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Cl 409043405 MDTMGAZFIHKOCI-JFLMPSFJSA-N 476.989 6.370 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1 409088298 WRJSUHBDOVVQTB-MHWRWJLKSA-N 478.848 5.803 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1 409186976 KKIYGONKDPQXGU-JJFYIABZSA-N 460.005 5.936 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)cc2Cl)cc1 409236001 DVXYSCFMOXZLBC-WQFTWXBESA-N 465.380 6.665 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409256878 MPAQBLYCNFAWOP-FDVSRXAVSA-N 493.991 5.445 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2Cl)cc1OCC 409311043 XXHJJTZXYUCMQC-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1OC 409312303 KKDVKVZDOPAWFN-QDTIIGTASA-N 491.346 5.883 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)cc2)cc1OCC 409321239 FBHLSBMCTHSNPF-QRQIAZFYSA-N 464.949 5.646 50 40 JKGB CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)ccc3C)=C2C#N)cc1 409326239 IUIOFSVVPQXZMQ-KRWDZBQOSA-N 458.008 5.081 50 40 JKGB O=C(CNc1cccc2ccccc12)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 409391239 IGDJJBKFACEWKY-LQKURTRISA-N 451.555 5.316 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)[nH]c2c1 409393716 ZFIDLCJBSGBYKH-YVLHZVERSA-N 450.325 6.521 50 40 JKGB c1ccc([C@@H]2OC(c3ccccc3P(c3ccccc3)c3ccccc3)=N[C@@H]2c2ccccc2)cc1 1988182099 CWMZMWXTKNWZSZ-ZWXJPIIXSA-N 483.551 6.704 50 40 JKGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(COc2ccc(Cl)cc2C)c(C)cc1C 650557 IRBHPANWKBIAHG-QHCPKHFHSA-N 452.938 5.099 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1 870818 ZBWUOYVAHZMTNG-QHCPKHFHSA-N 464.949 5.378 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCc1ccccc1Cl 1306580 QHOVBRHRSUHXIE-SANMLTNESA-N 498.970 5.640 50 40 JKGB Cc1ccc(NC(=O)N(NC(=O)Nc2ccc(Cl)cc2)c2nc(-c3ccc(C)cc3)cs2)cc1 1415240 YQLSSPYQWGZGFK-UHFFFAOYSA-N 492.004 6.856 50 40 JKGB O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1cccc(OCc2ccccc2)c1 1789649 QZPBDIIVKLQBFB-MZJWZYIUSA-N 494.041 6.285 50 40 JKGB O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cc2cc(Br)ccc2o1 2268597 RIMDAIDUJWDMAD-SSDVNMTOSA-N 454.236 5.127 50 40 JKGB CC(/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C)=C\c1ccc(C(C)C)cc1 2319685 XTYZXPYIZHPQRW-PGOKMECLSA-N 468.026 5.557 50 40 JKGB N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 2670753 HJCCNOHHGUGFDF-FOWTUZBSSA-N 480.376 6.846 50 40 JKGB Cc1ccc(N/C(SCC(=O)NC2CCCCCCC2)=C(/C#N)c2nc3ccccc3s2)cc1 3223113 USCRJDJXUVVPJO-XTCLZLMSSA-N 490.698 6.871 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccc(Cl)cc1 3628347 DFWCQZCYVNFPLU-RUZDIDTESA-N 476.916 5.265 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccccc2)c(Br)cc1OCc1ccc(C)cc1 4196395 ZFYREXWIWXDFSX-CVKSISIWSA-N 467.363 5.038 50 40 JKGB O=C(CCCCC(=O)N/N=C\c1cccc2ccccc12)N/N=C\c1cccc2ccccc12 4706444 GXIKXKFOBBSRLO-NAZWXXJZSA-N 450.542 5.154 50 40 JKGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc4ccccc34)n2-c2ccccc2)cc1 9007870 LDIWPVJWYQZSNX-MIXAMLLLSA-N 493.592 5.339 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1 12466449 KFQHSFNGYNNAOH-IMRQLAEWSA-N 469.501 5.026 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 13388138 PAAIIWLRXVAGMA-LICLKQGHSA-N 481.867 5.521 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 17646086 AQADYMUAKDLPLG-DHRITJCHSA-N 485.949 5.078 50 40 JKGB CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1 33654512 SQZMYYUKTGDBSQ-DEDYPNTBSA-N 479.026 7.584 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(Cl)c1OCc1cccc2ccccc12 33790010 PUTLQTDWEAQKKF-HYARGMPZSA-N 497.019 8.145 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccccc1 59483952 PYQHZANFRNHHAA-NDENLUEZSA-N 477.358 5.891 50 40 JKGB Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C2=C(O)CCCC2=N1 100703118 NDQXZDFNJBYQAU-OAQYLSRUSA-N 453.951 5.883 50 40 JKGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1ccc(I)cc1 108234045 VMGBCCUFAMIVOR-ACCUITESSA-N 485.237 5.005 50 40 JKGB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@@]21C 118915920 XDHSPKUJYNEBHS-SHQYURJFSA-N 481.471 5.308 50 40 JKGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc21 208244782 GUCMBMOVEMUMMS-XKBFBRDOSA-N 462.808 6.914 50 40 JKGB Cc1nc([C@H](O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)sc1CO[Si](C)(C)C(C)(C)C 217390300 IKLGLYASSRKEHR-FUHWJXTLSA-N 456.725 5.796 50 40 JKGB CCOc1c(I)cc(/C=C(/C#N)c2ccc(Br)cc2)cc1OC 408530095 LASJHRNOHJIFCG-ZSOIEALJSA-N 484.131 5.525 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1Cl 408538620 APIQSCFMTHXUQP-GZTJUZNOSA-N 453.207 7.779 50 40 JKGB O=C(N/N=C\c1ccc(OCc2c(F)cccc2Cl)cc1)c1cccc(Br)c1 408601414 JROMBOYFJNIWFR-ROTLSHHCSA-N 461.718 5.585 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2 408677106 PHLJVKPDYSCJLI-STBIYBPSSA-N 471.630 5.270 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccccc1 408744112 WVGOOVHNAPCHDT-WQRHYEAKSA-N 451.295 5.713 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc1OC 408769407 TXLYUNOVCJSZDV-AQTBWJFISA-N 484.394 5.414 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1Cl 408795237 LSKFSSABTRDXHA-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc(Br)cc1 408807281 BPFMCUJXNRNNNB-RWPZCVJISA-N 493.788 6.599 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3c(C)ccc4ccccc34)ccc3ccccc23)c1 408816173 REGNLKZBCWKYSF-LGUFXXKBSA-N 482.583 7.735 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2ccc(C)c(C)c2)cc1 408838636 YSTYUSPKXJBESX-UHFFFAOYSA-N 455.624 5.024 50 40 JKGB Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1 408874034 XUBDUJPXSTUASD-LPYMAVHISA-N 493.832 7.164 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OCc1cccc2ccccc12 408886799 MFFSQBIYUILIIS-NLRVBDNBSA-N 484.555 7.126 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1 408923411 IIYMRQBUVWXKRQ-VXLYETTFSA-N 482.367 6.123 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1 408988049 GRYIGJMNSXMGOR-JAIQZWGSSA-N 495.804 6.844 50 40 JKGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(Br)c1 409047540 MXHAWYYJDFITDD-GNTGUULPSA-N 466.379 5.176 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409081572 QCFFQNMXFQIQEC-MHWRWJLKSA-N 478.848 5.803 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCc1ccc(Cl)c(Cl)c1 409206564 PLEQYVNYGBLNKM-DHRITJCHSA-N 463.386 5.725 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccccc1 409233264 FBEMNDXPLVNAQI-HAHDFKILSA-N 460.961 5.584 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)NCCCc2ccccc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 409239802 QOTZLNBGCUVHDH-MOHJPFBDSA-N 478.552 5.562 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1O[C@H](C)CC 409251353 PKJWHVSBRDWCIL-SLVCOGOPSA-N 466.887 6.480 50 40 JKGB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccccc3)cc2Cl)cc1 409270390 FGCWTBCONRCKMB-ZMFRSBBQSA-N 456.329 5.083 50 40 JKGB CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1Cl 409390532 DYBRNRNFNQNECK-RGXNXFOYSA-N 499.010 6.600 50 40 JKGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc1Br 867566 SQQPEZPSWQBMJS-VGOFMYFVSA-N 464.157 5.383 50 40 JKGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC 1932465 YTHNPCTYVQXKIP-HMMYKYKNSA-N 460.555 5.926 50 40 JKGB N#C/C(C(=O)Nc1cccc2ccccc12)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2244463 OHFGWLQRKQCUQV-SCHJHDHGSA-N 493.563 6.044 50 40 JKGB Cc1ccccc1[C@@H]1C(/C=N/NC(=O)c2ccccc2O)=C(c2ccccc2)Oc2ccccc21 2266938 FSKYTIOFWUAUNX-NGUGDGFLSA-N 460.533 6.052 50 40 JKGB N#C/C(=C1/SC=C(c2ccc(Br)cc2)N1c1ccccc1)c1nnc2n1CCCCC2 3180690 LCOXYUUOZAIZFQ-GFMRDNFCSA-N 490.430 6.211 50 40 JKGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 3237093 ZFDOAKZKFRQJSV-FDAWAROLSA-N 471.516 6.061 50 40 JKGB N#CC(C(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)=C1Nc2ccccc2N1 3427206 SHRFKLATKRRMLO-UHFFFAOYSA-N 457.993 5.251 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccc(Cl)c(Cl)c1 8757586 HPIHSBBEQVWMAH-WSDLNYQXSA-N 483.471 5.770 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 9262217 SNMXRIOEXOEQIL-LCYFTJDESA-N 451.172 7.564 50 40 JKGB O=C(N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12)c1nn(Cc2ccccc2)c(=O)c2ccccc12 9981009 YYPZSNZKTJTQRK-BIZUNTBRSA-N 497.558 5.357 50 40 JKGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 12401094 UMDYPTFZMHAFTN-XUVBOHMWSA-N 465.937 6.060 50 40 JKGB O=C(Cc1csc(-c2ccsc2)n1)NNC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 16644837 JGGHWMMWRDREDU-UHFFFAOYSA-N 484.002 5.108 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)c(C)c1 16701069 VYBMCYFQGJAUCJ-LTGZKZEYSA-N 466.541 5.453 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Br)c1)c1ccc([N+](=O)[O-])cc1 33538800 BNBWWORRPLEYBV-GZTJUZNOSA-N 496.292 5.578 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc(I)c1 33591770 KLRWFYDGSDZCQD-ZDLGFXPLSA-N 469.282 5.671 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 33627108 RQHPQMSHOPRCDD-ATVHPVEESA-N 479.895 5.051 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nn(-c2ccccc2)c(C#N)c1C#N 67299816 XXHUNXRFIXFHQT-MHWRWJLKSA-N 456.292 6.247 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C)N=C3CC(C)(C)CC(O)=C32)cc1 100706480 RNGIDIFKHGVEMT-RUZDIDTESA-N 487.625 6.281 50 40 JKGB O=C1N=C(O)/C(=C/c2ccc3c(c2)CCN3CCCCl)C(=O)N1c1cccc(C(F)(F)F)c1 103127231 QDURWWSEKJPYMI-PDGQHHTCSA-N 477.870 5.204 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 107674281 FAMINQNPDZMNAL-WKULSOCRSA-N 479.363 6.498 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1F)C(=O)Nc1ccccc1 108997598 MSGVXNGWNTYHJA-SFQUDFHCSA-N 494.320 5.151 50 40 JKGB CCCCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)Cc1cccc2ccccc12 110221651 QLMVXXKUZQONQX-BRPDVVIDSA-N 451.010 6.925 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 408579252 FJKKWZQHQJBHAH-CPNJWEJPSA-N 467.352 6.474 50 40 JKGB CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC 408725078 IVIPKNZQVCIBGD-WJDWOHSUSA-N 459.340 5.191 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3cccs3)cc2-c2ccc(-c3ccccc3)cc2)cc1 408726771 UMJBJSLCINNPFX-VUTHCHCSSA-N 462.578 6.340 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccc(F)cc1 408794457 SHKXQZRDXQIPFP-LICLKQGHSA-N 497.320 5.427 50 40 JKGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408805672 BPSNAQHTOZMDLP-HAWAYETMSA-N 466.412 6.598 50 40 JKGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c(C)n1-c1sc2c(c1C#N)CCCC2 408815636 IHSQNUZGOQRMHV-DCBBSRRISA-N 491.624 5.114 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408846618 QOZYIYRUHQMSEK-UWVJOHFNSA-N 454.404 5.574 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cc(C)c(OCc3ccc(Cl)cc3Cl)c(C)c2)cc1 408855522 DZCOBKDHVOAIIQ-UVHMKAGCSA-N 457.357 5.962 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(OCc2ccc(Cl)cc2Cl)c1 408878787 BEFGQSFUVFKHQL-LICLKQGHSA-N 471.315 6.266 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1cc(C)cc(C)c1 408890736 YJFNHVMYXSRTOT-LPYMAVHISA-N 471.513 5.735 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 408939485 SSVYSRAWJLSPOX-UNOMPAQXSA-N 466.946 5.270 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(Cl)c1 409052352 JSIJRRJEXDEEIG-KVSWJAHQSA-N 470.787 6.722 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccc(Cl)cc1 409053699 OLXJMVXDNHJRSF-MZJWZYIUSA-N 457.357 6.043 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1)C(=O)Nc1ccccc1Cl 409060169 YBLHCVQLKMCYRL-CXUHLZMHSA-N 475.734 6.911 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccccc1 409074348 PWZWGYXVRVMZMW-HZHRSRAPSA-N 483.524 5.847 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 409086472 ZRMGMKPLBLABKT-ATVHPVEESA-N 474.429 5.240 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1C(=O)O 409214305 WTLXQHNLTNSQDK-YBEGLDIGSA-N 454.313 5.645 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 409248338 PYCJRJANQZANSK-OQLNFPPLSA-N 470.525 5.147 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(Br)c1OCc1ccc(F)cc1 409317137 PDFRBIXNLYYBAB-BKUYFWCQSA-N 488.356 7.393 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(I)cc2)c2ccccc12)c1ccc(Cl)cc1 409354611 ADIYIAYHPZFRQG-UYRXBGFRSA-N 494.763 7.012 50 40 JKGB O=C(CNc1cccc2ccccc12)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 409393262 WORGRAYJNUNMHU-WCMJOSRZSA-N 466.972 6.058 50 40 JKGB COc1ccc(-c2cc(C(=O)N/N=C/c3cc(Cl)ccc3O)c3ccccc3n2)cc1OC 667506 LLUVKBRXLLDDEZ-MZJWZYIUSA-N 461.905 5.042 50 40 JKGB CCCCOc1ccc(C(=O)NNc2nc(CC)nc3sc4c(c23)CC(C)(C)OC4)cc1 2233463 SZFGYGGXFAJSBA-UHFFFAOYSA-N 454.596 5.041 50 40 JKGB O=C1/C(=C/c2ccc3c(c2)CCN3CCCCl)C(O)=NC(=S)N1c1ccccc1Cl 2396894 WWTVSYNSVGINBR-DTQAZKPQSA-N 460.386 5.003 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2cccc(F)c2)c(Cl)c1)OCO3 3628375 QRTYNOINQPAZOF-QHCPKHFHSA-N 450.853 5.005 50 40 JKGB O=C(CCl)Nc1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccccc2)cs1 8754850 FINCNNDHVNJBPN-UHFFFAOYSA-N 473.783 5.603 50 40 JKGB CC/C(=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1cccc(Cl)c1 12651436 DENJBTQWOGKMGJ-TVKQRKNISA-N 468.984 7.130 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1cccc(Cl)c1 16526311 SVYAPTNHSUFARO-RWPZCVJISA-N 493.788 6.599 50 40 JKGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 20240473 TUNLGZAUZQGUKO-STBIYBPSSA-N 481.427 5.075 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)c(C)n1-c1ccc(Cl)cc1 28216120 VWIKKNSSSWDJCJ-BRJLIKDPSA-N 490.854 5.894 50 40 JKGB CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc1OC 33516525 BLFFFPYVIHXTHL-TVEVAFHQSA-N 466.965 5.722 50 40 JKGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C3/C[C@@H](C)CCC3=C(C)C)cc2)cc1 33683323 HHAGPPBFEAXQLG-GPSJWWCRSA-N 469.607 5.128 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2c(OC(=O)c3sc4ccccc4c3Cl)ccc3ccccc23)cc1 58871793 YWJDOCVAVGNXDV-OKCVXOCRSA-N 498.991 6.999 50 40 JKGB CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)C(=O)N(C)C)c2-c2ccccc2)cc1 59333537 UQYWSMLXHFBEKN-LGUFXXKBSA-N 489.575 5.983 50 40 JKGB COC(=O)c1ccc(-c2ccc(SSc3ccc(-c4ccc(C(=O)OC)cc4)cc3)cc2)cc1 61997405 PQAZNHVFAPHZAR-UHFFFAOYSA-N 486.614 7.393 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2Cl)N=C2CCCC(O)=C2[C@H]1c1ccco1 102600462 OVPXTZFSBDCRPE-HXUWFJFHSA-N 474.369 6.228 50 40 JKGB Cc1ccc2[nH]c(/C(C#N)=C\c3c(OCc4ccc(Br)cc4)ccc4ccccc34)nc2c1 108242049 YPPODXUAZOPGHJ-QNGOZBTKSA-N 494.392 7.430 50 40 JKGB N#Cc1ccccc1COc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1Cl 108270235 AOXGTTAPLHDGIX-WKIKZPBSSA-N 483.311 5.045 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 408531376 NVDROPDQLKUSMA-VFLNYLIXSA-N 461.871 5.500 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCC 408539923 ZYQAENFPIHAACR-JWGURIENSA-N 469.025 7.332 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1Cl 408590299 OQEHFNCXUJSXTM-KKMKTNMSSA-N 456.760 6.414 50 40 JKGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 408724916 MYSVEFANLOAKLG-TWKHWXDSSA-N 487.519 5.878 50 40 JKGB O=C(CSCc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 408725763 HLNJJYHJSKRSBL-LQKURTRISA-N 485.565 5.711 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1Cl 408726822 VQMHVWOACXLGOD-MTJSOVHGSA-N 495.406 7.134 50 40 JKGB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 408796704 OVNBGYNVRZJUGF-XDHOZWIPSA-N 493.357 5.591 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)c(C)c1 408799051 XSEULTOGHLUTQT-UDWIEESQSA-N 451.353 6.735 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12 408818444 WWEKEXGCKJVNJE-OEAKJJBVSA-N 496.994 7.243 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(C)c(C)c1 408818996 WEFHURIOFRXIPT-FSJBWODESA-N 474.988 6.707 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1Cc1cccc(F)c1 408871856 YJKNDQOFHQSXJI-VCHYOVAHSA-N 495.348 5.829 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2OCc2cccc(Cl)c2)cc1 408896621 SMFLKKVCYNYNBH-RCCKNPSSSA-N 490.943 5.650 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1Cl 408897609 YWYOHFNZBYAHDY-BRJLIKDPSA-N 474.300 5.253 50 40 JKGB C#CCOc1cccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1 409047395 MMRSSPRUDDFWRH-LQKURTRISA-N 486.984 5.983 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1Oc1ccc([N+](=O)[O-])cn1 409216333 HHZCBUDZPPQRBH-UNOMPAQXSA-N 458.474 5.343 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccc([N+](=O)[O-])cc1 409218011 SBLMIYIPBHOHDS-WQRHYEAKSA-N 469.722 6.654 50 40 JKGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 409219610 SEGFTQPRLSZYHA-PPDIBHTLSA-N 491.809 5.250 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409231032 HVIYQFQAHGNZER-MTEVNVADSA-N 490.943 5.410 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1 409234755 MERQUMUTWUAJPM-RWPZCVJISA-N 470.598 5.376 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc2ccccc2c1 409246965 AAQJAQJFZZVZCF-HBZQPJQTSA-N 476.576 6.602 50 40 JKGB O=C(CNc1ccc(F)cc1)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 409351680 YESUVTYQRVIOBK-FJEPWZHXSA-N 461.924 5.774 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)ccc1OCc1ccc(Br)cc1 409366305 UDYSEVFXWFGLHU-NTFVMDSBSA-N 495.417 5.736 50 40 JKGB CC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2C)=C(C#N)[C@@H]1c1ccccc1Cl 1097697 KDGKMHPVWXWYKJ-DEOSSOPVSA-N 466.006 5.614 50 40 JKGB COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)c1 1251641 ZCKLCCFRJCGVAH-SDNWHVSQSA-N 469.444 5.920 50 40 JKGB Cc1cc(N(CCCl)CCCl)ccc1/C=N/NC(=O)[C@H](Cc1ccccc1)c1ccccc1 1719332 ORRVNBBORUQXSH-PLUOQXPISA-N 482.455 5.756 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)cc1COC(C)=O 2090228 OCUZJZTUDNDWAJ-OKCVXOCRSA-N 481.552 5.354 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)cc1 2211220 UQBHKKKKPAGFAS-BSSRNLCFSA-N 488.012 5.967 50 40 JKGB O=C(N/N=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1ccc(F)cc1 8812458 JIWLNXDPEALZAG-RWPZCVJISA-N 477.333 6.084 50 40 JKGB Cc1ccc(C(C)C)c(OCCOc2ccc(Cl)cc2/C=N/NC(=O)c2ccccc2)c1 8842885 IQMAKMNQBZLXDQ-OGLMXYFKSA-N 450.966 5.994 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(O)ccc4ccccc34)n2C2CCCCC2)cc1 9122292 GCXLSDUJBLKMJG-STBIYBPSSA-N 499.640 5.860 50 40 JKGB CC1=CC(C)(C)N2C(=O)C(=C(C#N)C#N)c3cc(OC(=O)c4ccc(Br)cc4)cc1c32 9846934 HNKRSGXPQWDKJL-UHFFFAOYSA-N 474.314 5.011 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)c(C)n1-c1cccc(Cl)c1 12590895 ZSWYEHGABDNTFA-GZTJUZNOSA-N 454.755 6.056 50 40 JKGB C/C(=N\NC(=O)c1ccc(CSc2nc3ccccc3o2)cc1)c1ccc(Br)s1 12599880 UBKKOIKBKCNONI-ZMOGYAJESA-N 486.416 6.098 50 40 JKGB CCOc1c(Br)cc(C=NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1OC 16688087 GJMOBPHFLGAWKF-KRWDZBQOSA-N 497.389 5.441 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Oc1nc(Cl)ncc1F 16689287 NARDRQBJJAGVFZ-ZROIWOOFSA-N 473.291 5.659 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC(=O)c1ccc(C)cc1 20366779 BELKHIMGTZMJLA-XDHOZWIPSA-N 480.442 5.787 50 40 JKGB Cc1ccccc1CN1c2ccccc2C2=C([C@@H](c3ccc(Cl)cc3)C(C#N)=C(N)O2)S1(=O)=O 20558665 MXLMJMUOZWNZAE-QHCPKHFHSA-N 489.984 5.175 50 40 JKGB CCCCCCOc1ccc(Br)cc1/C=C(\C#N)c1ccc(Br)cc1 33794608 LLWBWMASYDCIQX-QGOAFFKASA-N 463.213 7.235 50 40 JKGB CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2cccc(Br)c2)cc1 38651488 AFUCCFRUVBAESB-QHCPKHFHSA-N 491.341 5.285 50 40 JKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 48573691 DOICNBSFRGQOML-RWPZCVJISA-N 455.385 6.634 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 59281974 AFRAPEGKIGWYTA-LICLKQGHSA-N 491.296 7.137 50 40 JKGB Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)c1 103121072 OYPVHBMYKLKSNL-YRXWBPOGSA-N 493.195 5.214 50 40 JKGB CCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)F 103528662 OYPPJGXREVFCPD-HXUWFJFHSA-N 476.449 9.394 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F 108212710 CVZPYEQVKKPEEZ-VYYCAZPPSA-N 485.899 5.058 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1OC 408583642 WAWZBAIBHPSLBU-YBFXNURJSA-N 478.932 5.447 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(I)cc3)o2)cc1C 408789659 QRLPGLJALIJTJG-SFQUDFHCSA-N 468.294 5.714 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1c(C)ccc2ccccc12 408813493 XTFGFJPHWIOXJX-HZHRSRAPSA-N 466.968 7.235 50 40 JKGB CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(C)cc2)cc1 408829116 XCKRWABXSKXIRL-KGENOOAVSA-N 491.385 6.281 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc2c(c1)OCO2 408844479 CWYLATAIJOWULR-UHBFCERESA-N 498.535 5.632 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc(Br)c1 408848449 VBEPGTHHZCWZRG-LCYFTJDESA-N 495.623 7.673 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3Cl)ccc3ccccc23)c1 408876253 KJOGEXJRJWETGS-JJIBRWJFSA-N 450.969 7.247 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)c(Cl)c1 408880413 HRIRAYQTBWFAKB-OVCLIPMQSA-N 489.746 6.508 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OCc1ccccc1Cl 408889888 KNQQDRMDENRUPA-XDHOZWIPSA-N 462.889 5.171 50 40 JKGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br 408908711 CVQRCDXSUKKDHT-CICSQNLLSA-N 481.390 5.013 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1ccccc1Cl 408937075 MHUXLRVXWJCZCG-PDGQHHTCSA-N 467.750 6.227 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC 408983882 NXDNZHMZEXZGKY-CXUHLZMHSA-N 477.344 5.188 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCc1cccc(F)c1 408991561 QJLGLPOCRKFIIK-UUYOSTAYSA-N 490.962 6.649 50 40 JKGB CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 409049604 XEOXFIYVEIVZSE-MDWZMJQESA-N 480.156 5.252 50 40 JKGB N#C/C(=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)NCCCc1ccccc1 409239254 MGYKCWPDSRPHLL-PLRJNAJWSA-N 480.995 6.728 50 40 JKGB Cc1c(/C=N/NC(=O)Cc2cccc3ccccc23)c2ccccc2n1Cc1ccccc1Cl 409268038 XVPOIQKRGDXHDM-FDAWAROLSA-N 465.984 6.497 50 40 JKGB N#CC1=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)NC(=O)C[C@@H]1c1ccc(Cl)cc1 409319101 AFPWRPJGXCOPBY-MRXNPFEDSA-N 465.884 5.069 50 40 JKGB N#CC1=C(SCC(=O)Nc2cccc(Cl)c2Cl)NC(=O)C[C@H]1c1ccc(Cl)cc1 409323424 OYVRNPPSPIOUMY-ZDUSSCGKSA-N 466.777 5.357 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C/C(Cl)=C/c3ccccc3)nnc2-c2ccccc2)cc1 1821611 REDKXFWXKZQCFW-BSZFNXBBSA-N 488.016 5.717 50 40 JKGB COc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1 2264483 XYHFKKGQIDSLSC-IEQIIXMPSA-N 483.593 5.377 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Br)cc2)c(Br)cc1OCc1ccccc1 4196434 LFNXCOQXALHBOE-YBFXNURJSA-N 499.202 6.863 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CSCc4ccccc4)cc3)c2C)c(C)c1 6195543 MWRFTSFLNHFYIL-FDAWAROLSA-N 481.665 6.908 50 40 JKGB COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 8771157 PKWJHFQJIYDYDD-PXNMLYILSA-N 493.338 5.530 50 40 JKGB N#CC(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)=C1Nc2ccccc2N1 9368592 WROXVDROGRIOJC-UHFFFAOYSA-N 468.517 5.007 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@H](c3ccc(F)cc3)Nc3c(F)cccc3[C@@H]2[C@@H]1Cl 9428710 VMVWNRGZUWPWQV-VZQSUIEHSA-N 472.944 6.912 50 40 JKGB C/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(-c2ccccc2)cc1 12570205 YTQXPPGNHMRRRG-NLRVBDNBSA-N 475.595 5.370 50 40 JKGB C/C(=N\NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1cccc(Br)c1 15938808 IRAKLSDBVKFJEF-ZVBGSRNCSA-N 450.547 5.329 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C\C(Cl)=C\c3ccccc3)n2-c2ccccc2)cc1 19849206 UKZPOMTVTLEILD-ZDZWWMTKSA-N 488.016 5.717 50 40 JKGB COc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 28215920 DWCVCNVRZRYHDQ-RPPGKUMJSA-N 476.429 5.793 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3cc(=O)n4c(n3)sc3ccccc34)c2C)cc1 32738714 ULLKGHKISCZRPL-FYJGNVAPSA-N 494.576 5.276 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 58913174 NTPABJMNONLWTG-KBKYJPHKSA-N 477.779 5.452 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(F)cc1 59117519 CQMIAGYTRDJWCH-WOJGMQOQSA-N 485.342 6.656 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(=O)c1ccccc1 59282295 PUZBHWQOOALACO-GZTJUZNOSA-N 477.860 5.022 50 40 JKGB O=C(Cl)/C=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226341484 LLSVRYUZYZLQCU-DUXPYHPUSA-N 454.962 6.767 50 40 JKGB CC(C)c1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(C(C)C)c1O 408567741 GHIXIGUVSSADNV-DHRITJCHSA-N 458.649 5.647 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCc1ccccc1 408724735 HCGDUUBLIIVIJV-MTJSOVHGSA-N 491.385 6.199 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)c1 408745311 LJATXKCYOMHBFK-STZFKDTASA-N 460.505 5.748 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1 408746093 QTSYBLUDLKAXQR-ZDLGFXPLSA-N 471.771 7.080 50 40 JKGB Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Cl)c3)c2C)ccc1I 408774423 WQJCSTQGXWLHDM-WYMPLXKRSA-N 491.760 5.424 50 40 JKGB COc1cccc(C(=O)N/N=C/c2cc(C)c(OCc3ccc(Cl)cc3Cl)c(C)c2)c1 408853650 VZAJWUGJEQLDTP-UVHMKAGCSA-N 457.357 5.962 50 40 JKGB N#C/C(=C/c1cc(Br)c(Br)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408854502 GWCMWGZOHRCZIA-CLTKARDFSA-N 464.928 5.657 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Cl)c1OCc1ccccc1 408879941 GEIUWVNNRODXRU-OGLMXYFKSA-N 459.933 5.482 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 408889525 DPUYILFNYSDTKK-LGJNPRDNSA-N 488.327 5.643 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1C(=O)O 408891252 NMRXGOHPNXKZGR-MHWRWJLKSA-N 481.291 5.456 50 40 JKGB O=C(O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)cc1Cl 409044503 GSSYUJYTILYGEJ-UHBFCERESA-N 495.922 6.277 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1ccc([N+](=O)[O-])cc1 409050352 UXJZREJXKOUSCK-UXHLAJHPSA-N 489.535 5.981 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409232351 OFGUHRZRHMCFKV-BKAYVGFPSA-N 488.456 5.088 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1OC 1906202 ZBFQPZDYMGSADC-OVCLIPMQSA-N 474.369 5.604 50 40 JKGB Cc1ccc2c(c1)[C@H]1C(=S)SS[C@@H]1C(C)(C)N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3170450 UBFRPHDXYJIIDV-SJORKVTESA-N 465.021 6.170 50 40 JKGB Cc1cc(C(=O)/C(C#N)=C2/C(=O)Nc3ccc(Br)cc32)c(C)n1-c1ccccc1F 3192898 FUZLDBWHPZHKSD-HEHNFIMWSA-N 464.294 5.108 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OCc4ccccc4)c(OC)c3)n2)cc1 9059287 WYZCWOBPCBDHOX-HMAPJEAMSA-N 454.551 6.470 50 40 JKGB COc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccc(F)cc3)C3=C(CC(C)(C)CC3=O)N2)cc1 12250545 BNTVKGQVWGRLSA-XMMPIXPASA-N 476.573 5.516 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc12 14131070 AFMNXDZUQBIPAZ-ZVHZXABRSA-N 484.393 7.563 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OC(=O)c1cccc2ccccc12 15277313 BUNRUBHMSWKFLF-HAVVHWLPSA-N 476.532 6.312 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1 20175970 BBLFRPCLXHKFDR-SRZZPIQSSA-N 490.943 5.270 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])cc2Cl)c1 33407610 LUMXZCPSPHELSD-ZMFRSBBQSA-N 472.328 5.482 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 34720585 RYXSKXLYISIIRF-QRQIAZFYSA-N 490.559 7.518 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1Cl 35253521 DSGRFQGMTZFBHA-GRSHGNNSSA-N 469.324 6.943 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 59201231 CUECJMXGAOKTOE-QGOAFFKASA-N 453.325 6.127 50 40 JKGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c1 108275927 PYMMSYPEKHGPKK-LGJNPRDNSA-N 456.329 5.295 50 40 JKGB C/C(=N/NC(=O)Cc1c[nH]c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118932872 WBLZXQSVAXDGFP-ZVWHTXGGSA-N 487.688 6.142 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(N(C)C)cc1 209665244 QCBWERABFABLHP-XSFVSMFZSA-N 469.614 5.518 50 40 JKGB CCN1c2ccc(/C=N/NC(=O)COc3ccc(Br)cc3)cc2[C@@H](C)CC1(C)C 223528862 DUDBWHLLLGPRSW-MMDHUZEPSA-N 458.400 5.090 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)c1ccc2ccccc2c1 408548896 NAKDASBRVBSCPK-MXAYSNPKSA-N 465.350 7.117 50 40 JKGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccc1 408552875 LIJUSGXCGDBJKB-XDHOZWIPSA-N 480.351 5.234 50 40 JKGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)c2C)c1 408570765 YGIMMWNSXLQYQU-JFLMPSFJSA-N 479.671 5.719 50 40 JKGB COc1ccccc1/C=N/NC(=O)c1cc(-c2cccc3ccccc23)n(-c2cccc(C)c2)n1 408727153 UZYJNQCCAOCYBH-NDZAJKAJSA-N 460.537 5.773 50 40 JKGB C=CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)cc1 408747484 OPAKJOBKHNDIMW-HKWRFOASSA-N 476.374 5.967 50 40 JKGB O=C(N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)c1cccc2ccccc12 408765126 KHCMTDJKFZQEOM-KEIPNQJHSA-N 494.550 7.129 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCC#N 408792033 GUHYFRUGJJKGTO-KGENOOAVSA-N 487.943 5.766 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1ccc(Cl)c(Cl)c1 408807308 GZMUJWKZVIEQRX-IAUZIZESSA-N 473.400 6.183 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(F)c2)c(Br)cc1OCc1ccc(F)cc1 408856337 HIEODQYASMCBFT-UVHMKAGCSA-N 489.316 5.469 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1Cc1ccccc1Cl 408872812 JEKGYNWPORWNRS-RQZCQDPDSA-N 482.323 6.047 50 40 JKGB C=CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)cc1 408904793 OSOYOVBABLWIOC-YSMPRRRNSA-N 458.474 5.077 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2)cc1 408938396 QIJUVXYBLMZISL-UYRXBGFRSA-N 466.946 5.270 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(OCc2ccccc2F)cc1 408964173 BKVPEVJJEFMRGJ-KPGMTVGESA-N 484.506 5.587 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 408967869 SLVXQSMQJJPRMY-KPGMTVGESA-N 484.506 5.587 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)c(C)c1 409038757 AZEICYIHSVYHEK-VXLYETTFSA-N 485.798 7.388 50 40 JKGB N#C/C(=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2ccccc2o1 409082165 RHLCDJKXJZNRFH-RVDMUPIBSA-N 451.360 6.611 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3c(Cl)cccc3Cl)c2C)c(C)c1 409112345 FWWLXFOYAKYUTQ-KKMKTNMSSA-N 474.457 6.401 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409189952 OEWUKPFQCQOTAN-WQRHYEAKSA-N 469.925 5.192 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1cccc(C)c1C 409259204 XEUSLRRSLHTMJF-OEAKJJBVSA-N 483.568 5.492 50 40 JKGB N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 1888784 KHADTKVHOWSOBV-YDYXIROLSA-N 491.975 5.222 50 40 JKGB COc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1Cl 2077174 CTORUIFHJCOGJN-LGJNPRDNSA-N 459.329 5.110 50 40 JKGB Cc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1 2333661 NRMHSMMQHMGOSL-FSJBWODESA-N 487.379 5.007 50 40 JKGB Cc1ccccc1NCC(=O)N/N=C/c1c(C)c(C(=O)c2ccc(Cl)cc2)n2ccccc12 8687457 OSRZQJLPFRNZCR-WKULSOCRSA-N 458.949 5.003 50 40 JKGB CCc1ccccc1NC(=O)CSC1=C(C#N)C2(CCC(C(C)(C)C)CC2)[C@H](C#N)C(=O)N1 9108933 JTSOLGPONJXZPA-HOYUBGIKSA-N 464.635 5.148 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCc1cccc2ccccc12 10039250 FJBVXAXNKPOCFL-RDRPBHBLSA-N 454.526 5.590 50 40 JKGB Cc1ccc(Cn2c(C)c(/C=N/NC(=O)Cc3ccc(Br)cc3)c3ccccc32)cc1 13595786 JTGAEPGWSGXWLL-LQKURTRISA-N 474.402 5.762 50 40 JKGB COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)ccc1OCc1ccc(Br)cc1 16322155 RVTMRBOHRRRDDP-AEIQVQRHSA-N 499.430 5.668 50 40 JKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 18046861 FVALOFSEFLAQMT-MIXNUDJGSA-N 488.012 6.022 50 40 JKGB Cc1cccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c1C 30843291 GBGKKPCYMZTUFT-WKIKZPBSSA-N 471.340 5.359 50 40 JKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1 32116865 VAOOEJNDVPIVIB-PTNGSMBKSA-N 470.337 6.598 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)cc(Br)c1OC 33332330 NBEUHRSUJGDURI-MXAYSNPKSA-N 467.319 5.520 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)c1OCc1ccccc1Cl 33559916 VELOQVDWGZYCBA-BOPFTXTBSA-N 479.876 5.087 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccccc1Cl 34704998 SNYRMKHRKDPIDE-NVMNQCDNSA-N 499.748 6.662 50 40 JKGB CS(C)(=O)=N[P+](c1ccccc1)(c1ccccc1)[C@H](/N=N/c1ccccc1)c1ccccc1 97970889 MRKUMUJUVWCEOF-PBWKAQAQSA-N 472.574 6.780 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1P(=O)(c1ccccc1)c1ccccc1 103438713 QFKSDBYGNQVKML-QHNMYUOLSA-N 496.527 6.182 50 40 JKGB N#CC1=C(SCC(=O)NCc2ccccc2)N=C2CCCC(O)=C2[C@H]1c1cccc(Cl)c1Cl 104092467 BNXWOAMEUUNSOI-QFIPXVFZSA-N 498.435 6.312 50 40 JKGB Cc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)c(C)n1-c1cc(Cl)ccc1Cl 106953440 DMQMDZWOGIHINS-VFLNYLIXSA-N 491.378 5.665 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(I)c2)c1 408744592 MFGJFYMFUOOQJP-MOSHPQCFSA-N 494.332 5.724 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(OC)c1OCc1ccc(Cl)cc1 408746153 XOPSYPNBNGNCFQ-HAHDFKILSA-N 472.972 6.510 50 40 JKGB N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)Nc1ccc(Cl)cc1Cl 408783866 NXUUUQQXJIKCMI-XFXZXTDPSA-N 455.326 6.160 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1 408807076 KDFUWUHZRBTMFU-XSFVSMFZSA-N 473.359 7.271 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc2ccccc2c1 408858195 QMEZGALTRVXAMH-DXJNIWACSA-N 460.533 6.657 50 40 JKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)o2)c([N+](=O)[O-])c1 408893068 FETSEZLBCBTDDJ-KPKJPENVSA-N 487.255 5.924 50 40 JKGB O=C(N/N=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2o1 408907920 QHKPKXOUWUGSAL-UHBFCERESA-N 488.503 6.261 50 40 JKGB CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)cc1 408946504 ALSHWRJRLBCGGN-ITYLOYPMSA-N 464.613 6.184 50 40 JKGB Cc1c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc2n1Cc1ccccc1 408964500 HIABRSHTNNKTCD-JFLMPSFJSA-N 452.470 5.416 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1 409046341 KCODBNBGXSCRRU-CPNJWEJPSA-N 490.357 5.321 50 40 JKGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1OCC 409051319 BYTTUWTYMKUEII-FSJBWODESA-N 451.748 5.138 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1 409054817 GUERSKPKXFVALA-RQZCQDPDSA-N 487.770 6.780 50 40 JKGB C/C(=N\NC(=O)CSCc1c(Cl)cccc1Cl)c1cccc(I)c1 409117797 NDLNWRCDKAWREU-SRZZPIQSSA-N 493.197 5.372 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)C(=O)NCCCc1ccccc1 409230560 ZKNWNAUQPPBCKE-QNGOZBTKSA-N 491.950 5.153 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc(OCc4ccc(Cl)c(Cl)c4)c3)CC2=O)cc1 409251144 OOXSIUBLXPFDRD-DXJPSDTISA-N 496.394 5.384 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1C 409251534 AAAHOPXSSWZTRU-PXLXIMEGSA-N 469.541 5.265 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)ccc1OC 409311452 ZVJRLPUTDSXWRU-VYYCAZPPSA-N 473.356 5.744 50 40 JKGB CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3Cl)=C2C#N)cc1 409320999 DQBCLZMGNKAGEG-HNNXBMFYSA-N 478.426 5.426 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2cccc3ccccc23)nnc1-c1ccc(C(C)(C)C)cc1 1830729 KQTZWCXUMRBAOR-OGLMXYFKSA-N 471.630 5.658 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)NC(=O)C[C@H]1c1ccc(Cl)cc1 2309873 BEUDRJUVPDJPEO-QFIPXVFZSA-N 489.984 5.843 50 40 JKGB Cc1cc(Cl)ccc1OCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 2676280 UVQTZLLNIAQORW-WPWMEQJKSA-N 450.922 5.177 50 40 JKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1nc(-c2ccccc2)n(-c2ccccc2)n1 3112063 VDDFHQWRKUQDBJ-AJBULDERSA-N 467.532 6.005 50 40 JKGB O=C(NNc1ncc(C(F)(F)F)cc1Cl)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 3128120 MEWDEAFKDHADBR-UHFFFAOYSA-N 491.684 5.028 50 40 JKGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1 3219494 GJQOYAWGJQQXCK-WEMUVCOSSA-N 477.608 6.983 50 40 JKGB CCn1c(C)nc2cc(C(=O)N/N=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc21 3241947 DJTSFEIRAMFVIO-NJZRLIGZSA-N 473.580 6.598 50 40 JKGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 3666774 BITRHRDQESZPJB-GLYQIKNISA-N 484.408 5.532 50 40 JKGB Cc1cccc([C@@H](C)N(NC(=O)C(O)(c2cccc(C)c2)c2cccc(C)c2)C(=O)c2ccccc2)c1 3672544 GNYKQLHYVMXDPD-RUZDIDTESA-N 492.619 5.783 50 40 JKGB CCCCCc1ccc(-c2ccc([C@H](Cl)[C@@H](Cl)C3CCC(CCCCC)CC3)cc2)cc1 8383590 GXPDMEOIZKZMPY-XFEPQVJRSA-N 473.572 10.360 50 40 JKGB CCOc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCc5ccccc5)cc4)c32)cc1 8569295 MYILWLNEJMQHLX-DEOSSOPVSA-N 464.525 5.273 50 40 JKGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\c2cc(Br)c(Br)o2)cc1 12362703 QLEQWJISSOLVRA-OOUHKDHISA-N 468.189 5.356 50 40 JKGB Cc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)c(C)n1-c1cc(Cl)ccc1Cl 12524387 AHWRKVBWMLSLRN-YBFXNURJSA-N 450.394 7.589 50 40 JKGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(Cl)cc1Cl 12570573 MNVMZXLARNWXRH-DHRITJCHSA-N 496.803 5.602 50 40 JKGB COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OCc1ccc(Cl)cc1Cl 13032129 RUPBERYKADKXJF-WOJGMQOQSA-N 469.372 5.963 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)c1C 16666312 LYRKNPHBYOWECM-OGCOBRASSA-N 488.012 6.022 50 40 JKGB CCCCCOc1ccc(O[C@@H](C)C(=O)N/N=C/c2ccc(OCCC)cc2OCCC)cc1 27062604 JWBJBNSIAFRWOG-OJQDQQHHSA-N 470.610 5.751 50 40 JKGB Cc1cc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc(C)c1Cl 30937414 HYOMIHJAIPLCID-KIBLKLHPSA-N 451.737 6.053 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 59335884 DTKNHCOLBIBRPX-ATVHPVEESA-N 468.296 6.026 50 40 JKGB COc1ccc([C@@H](Nc2cccc([N+](=O)[O-])c2)P(=O)(c2ccccc2)c2ccccc2)cc1 104822559 JJAQLXBYFGDKSU-SANMLTNESA-N 458.454 5.728 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1Cl 207830062 CJOLZODWZKKJCN-UYRXBGFRSA-N 475.932 5.220 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OCc1ccc(Br)cc1 408599171 PPBKDPVVYKLDEV-NDENLUEZSA-N 468.778 7.144 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3cccc(C)c3)n2)cc1OC 408728007 ZBKUMILBVQMBLJ-ZCTHSVRISA-N 490.563 5.782 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1cccc(F)c1 408744608 MGTYHOBIPWPMPM-GRSHGNNSSA-N 450.897 5.921 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1 408752387 DZXZWSYEPYGMPA-NBVRZTHBSA-N 476.330 5.012 50 40 JKGB Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2C)ccc1I 408768931 MIFTXNDPNZOKIW-WYMPLXKRSA-N 491.760 5.424 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1O 408787738 FOICDVRACCHXAN-XDHOZWIPSA-N 493.357 5.678 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(F)cc1 408796741 PTZFTIMIDSZHSH-YBFXNURJSA-N 450.897 5.921 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1C 408802786 HIPXXHIERSHVRT-BUVRLJJBSA-N 466.968 7.235 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 408802949 JLYMXZOPDLATAT-WOJGMQOQSA-N 471.771 7.080 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OCc2c(C)ccc3ccccc23)c1 408811385 VJULGFMLRUGDEI-PXLXIMEGSA-N 482.967 6.935 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1Cc1ccccc1F 408872102 KLAGMKCTDZDWSN-LICLKQGHSA-N 483.312 5.872 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCc1ccc(Br)cc1 408888431 VIFDQWVGMDJIJE-WOJGMQOQSA-N 497.776 6.236 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC(=O)c1ccc(C)cc1 408888986 AGCBIPRWWILMPT-WOJGMQOQSA-N 481.335 6.075 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc2ccccc2c1 408905288 WRFNNWBFPCNQIY-DICXZTSXSA-N 452.470 5.666 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(I)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408968348 VTOLPXCXIWQGSJ-CVKSISIWSA-N 499.396 5.760 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2Cl)c2ccccc12 408981574 BTGVDABCXVFZMI-UYRXBGFRSA-N 460.364 6.851 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccccc1 408997255 MGOFWSTZAHJWOD-UXHLAJHPSA-N 497.938 5.575 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 409046427 KODYZEZGDBWKST-WOJGMQOQSA-N 490.903 5.120 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 409052315 JJZWJLAOJPRANI-KKMKTNMSSA-N 461.320 5.792 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Cl)c1OCc1ccc(Cl)cc1 409148128 OPAOOAYUWSHHMP-QHCPKHFHSA-N 483.351 5.895 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1 409202512 RKZGDJALKFWMFU-SSDVNMTOSA-N 453.441 6.449 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 409202868 UCKXOVMRCRGZLW-WQRHYEAKSA-N 495.894 5.868 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc(C(=O)O)c1 409215271 WNKIOPBGLOSOLE-GRSHGNNSSA-N 464.861 5.598 50 40 JKGB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1cccc2ccccc12 409224959 OKMGWPCJYDGNDN-WWODVZSHSA-N 499.910 5.784 50 40 JKGB Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)cc2Br)c1 409242090 LRMKEWDVKFTOFD-JVMBGAFUSA-N 475.386 6.121 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccc([N+](=O)[O-])cc1 409254716 FFFAZYRRSNJUIC-RDRPBHBLSA-N 483.524 5.419 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1OCC 409300714 AIPNMIRERPDFEW-MWLSYYOVSA-N 482.939 5.786 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(Br)cc1F 409377721 JEWUWMUIFBVXPM-YBEGLDIGSA-N 454.299 5.247 50 40 JKGB O=C(N/N=C/c1ccc2ccccc2c1)c1nn(Cc2ccc(Cl)cc2)cc1Br 1086805 JMRQNYUUZIWQBK-BRJLIKDPSA-N 467.754 5.264 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1cc(Cl)ccc1Cl 1107273 PIWGGKHHSGIYOL-HSZRJFAPSA-N 499.394 6.032 50 40 JKGB Cc1ccc(-n2c(SCC(=O)/C(C#N)=C3/Nc4ccccc4S3)nc3ccccc3c2=O)cc1 3222448 SLPQKBYZALMTKJ-CLCOLTQESA-N 482.590 5.308 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)c1 3368402 NQOWQVKFIXWEQP-OQKWZONESA-N 463.541 5.082 50 40 JKGB COc1ccc(C=NNC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1CSc1ccccn1 4403074 MXKHWPGAVXWWCT-UHFFFAOYSA-N 496.807 5.084 50 40 JKGB C=CCn1c(Sc2c(CCCl)c(C)c(C#N)c3nc4ccccc4n23)nnc1-c1ccccc1 8426353 IRDIDXCLRVCSQN-UHFFFAOYSA-N 485.016 6.045 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1 9259730 UMAGFQGEFBSVCZ-HMMYKYKNSA-N 455.945 6.287 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2C#N)ccc2ccccc12 9261766 FRQDOHQJHRWZAJ-OEAKJJBVSA-N 477.951 6.798 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1 20170596 RUTCVKFKZFOSOD-RUZDIDTESA-N 484.581 5.295 50 40 JKGB Cc1ccc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3ccc(C)cc3C)c2C)cc1 20243629 YOUOLZYUUXPMSC-UVHMKAGCSA-N 498.490 6.165 50 40 JKGB COc1ccc(C(=O)N/N=C/c2c(Br)c(C)n(-c3cc(C)cc(C)c3)c2C)cc1OC 20243871 ZAMXALVVJAFANA-LGJNPRDNSA-N 484.394 5.255 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1ccccc1F 33374826 CWRYCKJKJJREML-ODLFYWEKSA-N 461.924 6.706 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1OCc1ccc(Cl)cc1Cl 33459724 HABRHNYNMSHCRI-NDENLUEZSA-N 481.379 6.744 50 40 JKGB Cc1ccccc1[C@@H]1C(/C=N\NC(=O)c2ccc([N+](=O)[O-])o2)=C(c2ccccc2)Oc2ccccc21 100103904 OBEBQXKELCDIAN-AZFAFLPTSA-N 479.492 5.848 50 40 JKGB Cc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(SCc2ccccc2)s1 105969482 OWRAIYVSYVNYOW-UHFFFAOYSA-N 482.634 6.363 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 107876305 OCYZESAFTQPRGI-BOPFTXTBSA-N 479.989 5.932 50 40 JKGB CCCCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1C(F)(F)F 408538783 BQSZUNKNPKNSAL-NTFVMDSBSA-N 499.371 6.971 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1OCC 408539044 DUTYKLWTAAGSCS-MYYYXRDXSA-N 481.818 6.224 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCc1ccc(OCc2ccccc2)c(OC)c1 408540672 VANRNLSPPVMTHT-DXJNIWACSA-N 496.563 5.626 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccccc1C 408542165 HGXDQBQZOOAYAO-HMAPJEAMSA-N 480.568 5.969 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1c2ccccc2cc2ccccc12 408566942 BTAADBPDZBNNJO-JVWAILMASA-N 458.608 6.001 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)c1nc2ccc(F)cc2[nH]1 408570488 VUSAXTLNLSRSCS-MFOYZWKCSA-N 492.304 5.806 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)Sc1nc2ccccc2[nH]1 408599688 YOVCJNFUFSOOMD-DEDYPNTBSA-N 462.372 6.561 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)NCc1ccccc1 408745922 AWCZNFGCCGKZFD-FBHDLOMBSA-N 462.336 5.667 50 40 JKGB N#C/C(=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 408809157 KKVDOVHHGMTQBB-HMMYKYKNSA-N 483.911 6.526 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1F 408814015 GSVJUTRUSNXSMS-YVLHZVERSA-N 495.304 5.442 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)Nc1cccc(Cl)c1Cl 408850771 QWEXQYMAHBXMSK-WQLSENKSSA-N 461.688 6.151 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(Cc2ccccc2F)c(OC)c1 408874366 BOZFWSSBKAIMKQ-UDWIEESQSA-N 493.376 6.296 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)C(=O)Nc1c(Cl)cccc1Cl 408893785 NDKDQFWHYSQIDA-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)ccc1Br 408903948 BOAVARHLAFUYFQ-GATIEOLUSA-N 477.765 6.113 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3)c2C)c1 408965388 GTMVWHBGTMMHRK-UXHLAJHPSA-N 482.584 5.442 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1cccc2ccccc12 408968307 VFPLGCRBZHZFBG-OKCVXOCRSA-N 453.473 5.202 50 40 JKGB CC(C)Oc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 408973646 NIAFLYACGKTKNV-XFAVVLCKSA-N 487.625 5.054 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1Cl 408981375 ASNABWNKIIAAJI-UNOMPAQXSA-N 460.364 6.851 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OCc1ccccc1C#N 409017816 HQHRQSJOHWXMDU-FDVSRXAVSA-N 473.916 5.699 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1Cl 409148459 YVRRLELJLMZOTG-HSZRJFAPSA-N 484.383 5.311 50 40 JKGB Cc1cc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C#N)c3ccccc3)c2C)cc(C)c1Br 409193474 DKJKHRWZWXEKCS-VATWTLTGSA-N 463.379 5.231 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1 409273066 VDABDDMQGVIXRI-LFIBNONCSA-N 484.314 5.696 50 40 JKGB CC1(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)SCCS1 409364112 NBUPEMZASRYXJC-FSJBWODESA-N 499.883 5.718 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(F)(F)F)cc3)nnc2-c2ccccc2)cc1 1904297 XNIUTDDNOMOSTO-WKULSOCRSA-N 495.530 5.504 50 40 JKGB COC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl 2886747 JMLYCNGPTAUNSE-OQLLNIDSSA-N 457.338 6.054 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1ccc([N+](=O)[O-])cc1 9019046 YWTYGPAIARZWQZ-MTJSOVHGSA-N 494.023 5.025 50 40 JKGB COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 9086529 MHQPPEVRHUBMGN-VFCFBJKWSA-N 485.613 5.192 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 9311596 ORZACLLWRUWVBE-YUMHPJSZSA-N 481.684 6.918 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)ccc1OCc1ccc(F)cc1 10013820 NWEPSCCFVJZGLI-DEOSSOPVSA-N 482.515 5.330 50 40 JKGB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 21284468 SEDAWHDBBRDXHA-UHFFFAOYSA-N 488.253 5.231 50 40 JKGB Cc1ccc(OCC(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2)c(C)c1 30843687 NEUKHEWLQOTRNS-WGARJPEWSA-N 467.363 5.174 50 40 JKGB COc1ccc(/C=C\c2sc3ccccc3[n+]2CCCCI)cc1OC 31853524 XJWOAGFUUXJCDM-BENRWUELSA-N 480.391 5.592 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1F 33393395 BYYVOQVMQQCWDM-QGOAFFKASA-N 493.922 5.441 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(Br)cc1 33492047 KJAXTRLOJUFELO-MSXFZWOLSA-N 497.374 5.743 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c1 59201250 QSMDOKLDYZWLFG-DEDYPNTBSA-N 451.353 6.735 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 59336304 RNGSVDGTTOKKQO-YBEGLDIGSA-N 485.327 5.863 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1ccc(Br)cc1 59445282 CBFZIXDHLFCXRE-DHRITJCHSA-N 473.754 5.454 50 40 JKGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 59473672 NBOTVSHDTGBYQD-MUFRIFMGSA-N 475.013 6.456 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cccn2-c2ccc(Br)cc2)cc1 59678451 OVRKXCAFHUYJGD-WGOQTCKBSA-N 461.363 5.411 50 40 JKGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)COc3ccc(Br)cc3)cc21 208245587 RWPZRLIGWVLRQZ-DSKMXOTJSA-N 478.818 5.354 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 408583276 TVKZXZZFLDORNM-DEDYPNTBSA-N 462.933 5.829 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(OC)c1 408762810 LHXZQBUDSKLNGF-HYARGMPZSA-N 456.498 5.080 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 408775791 JVCCAEAZRZWZAT-XLNRJJMWSA-N 482.967 7.017 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c1C 408796811 QADFWYJNVNIFIU-DJKKODMXSA-N 469.343 6.874 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC(C)C)c(OCC)c2)cc1 408799856 IQFQCEOTCPHBLN-GZTJUZNOSA-N 473.367 5.579 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408803601 QZZSNXMEZXMBOQ-RQZCQDPDSA-N 457.744 6.771 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)c1 408804838 BRRKLMZOEBCZGE-RGVLZGJSSA-N 495.804 6.844 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1C 408805320 GFTTWAZIOFTDAS-RGVLZGJSSA-N 495.804 6.844 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccccc1 408806826 BVMWOBPVLMURFA-UNOMPAQXSA-N 450.897 6.002 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Br)cc1)c1ccccc1 408814365 PDDNNYTVRQGWSJ-LUJYGJGBSA-N 461.359 5.812 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 408828345 MJLNPAYMRSEQTD-VFCFBJKWSA-N 498.048 5.395 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccccc2F)c(Br)c1)c1cc2ccccc2o1 408856782 LFSLOLVZGKBVGD-ZMFRSBBQSA-N 467.294 5.677 50 40 JKGB COc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1OCc1ccc(Cl)c(Cl)c1 408881889 OYFLWLNCYDBMNZ-KKMKTNMSSA-N 493.774 5.764 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OC(=O)c1cccc2ccccc12 408881945 PDZNNCLEITZMLS-ZCTHSVRISA-N 474.516 5.985 50 40 JKGB CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)ccc1OCc1ccccc1Cl 409015479 AVMXBLRAFIYBOJ-UHBFCERESA-N 489.959 5.395 50 40 JKGB COc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C)cc1 409041443 VXZISDDVBMQAIS-DXJNIWACSA-N 474.564 6.082 50 40 JKGB CCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCCC)c(OCC)c1 409317948 SUWPQHHOZNQUCS-IWIPYMOSSA-N 463.372 5.189 50 40 JKGB COc1ccc(CC(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1OC 409365828 SGFFTWLVNNUICF-VYYCAZPPSA-N 473.356 5.282 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 1453203 RVLIHGGNQPIWAC-SDNWHVSQSA-N 485.487 5.550 50 40 JKGB CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 1769782 DXEQLSJDLNJDQB-HKOYGPOVSA-N 477.564 6.192 50 40 JKGB Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 1887959 RSJUMUKSVXJTMQ-FYAMCCBRSA-N 453.567 5.368 50 40 JKGB N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 2553576 WOGHRKJDNRERTN-LDADJPATSA-N 464.377 6.740 50 40 JKGB CCC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccc3c(c2)OCO3)c(C(C)(C)CC)c1 3226527 DNKQVRYBPSQQPY-RDRPBHBLSA-N 466.622 6.100 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3NS(=O)(=O)c3cccs3)c2C)c1 6093683 HBEVOMLMHMNQSF-WGOQTCKBSA-N 492.626 5.029 50 40 JKGB Cc1ccc(-c2cs/c(=N\NC(=O)c3ccccc3)n2C(=O)Nc2ccc(Cl)cc2)cc1 8694204 MBPMRXKMDKXBJO-COOPMVRXSA-N 462.962 5.504 50 40 JKGB CC(/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)=C\c1ccccc1 8817825 BCSQOXUTEUVQJW-SILQRRHJSA-N 494.064 6.401 50 40 JKGB O=C(NN/C(=N\c1ccc(Cl)cc1)C(F)(F)C(F)(F)C(F)(F)F)Nc1cccc(Cl)c1 8854759 GDEZUCMEPAKXHF-UHFFFAOYSA-N 491.194 6.183 50 40 JKGB O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 9311151 MJZGAMGXRORBCL-PPOKSSTKSA-N 480.571 7.057 50 40 JKGB COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3cccs3)n2-c2ccc(Cl)cc2)cc1 9763017 NNRVQRPTNVPMCG-MFKUBSTISA-N 498.033 5.290 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C)cc1 20197764 URJLGQBKZURNRK-AFUMVMLFSA-N 454.914 5.208 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1cc(Cl)ccc1Cl 28216327 UHHSNWNLDRHEQR-NSKAYECMSA-N 485.198 6.237 50 40 JKGB CCOc1ccccc1/C=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1 30735483 WUYDWZIEYLDTBY-JJFYIABZSA-N 479.052 5.125 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)c1 33490360 YMPSDNPCKRSGIZ-RWPZCVJISA-N 461.949 5.433 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1Cl 59336561 UFAWDPRFWJRVKA-YBEGLDIGSA-N 492.189 7.425 50 40 JKGB COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)/C(C#N)=C/c2ccco2)[C@H]3c2ccc(OC)cc2)cc1 67321611 DHWUBFOYUAUVOK-XIADIYTJSA-N 493.563 6.027 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@@H]1C=C(c2ccccc2)C=C(c2ccccc2)S1 68564773 BMSPKHNLODMGNR-LJAQVGFWSA-N 450.543 7.198 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Cl)c1OCc1cccc(C(=O)O)c1 108267398 FEQHEPYQKZTLPW-JAIQZWGSSA-N 487.943 6.265 50 40 JKGB N#Cc1ccccc1COc1ccccc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1 408569743 PTYKMGLZTRWCEW-LQKURTRISA-N 489.622 5.145 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 408578793 AZCJIWUGBGEMOG-XSFVSMFZSA-N 498.398 5.988 50 40 JKGB CCc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccccc4Cl)c(Cl)c3)CC2=O)cc1 408612290 YCDUJBCBYSBCIQ-LJQANCHMSA-N 498.410 5.631 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3cccc(C)c3)n2)c1 408726789 UVOFVUABYVMQCH-RUMWWMSVSA-N 486.575 6.287 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1Cl 408727093 YHUFEBMZAOHVQU-MTJSOVHGSA-N 495.406 7.134 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CCCCC3)c2C)cc1I 408727804 XKMIYYRGJQQDHT-XDHOZWIPSA-N 487.385 5.363 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1cccc(Br)c1 408738300 UTLPANHFIUDGJK-ZMOGYAJESA-N 488.179 5.555 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)COc3cc(Cl)cc(Cl)c3Cl)c2C)c1 408763884 POMIJZXEMHDZCK-KBKYJPHKSA-N 464.780 5.892 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 408779753 JTKPQQKFOVTQKE-QJOMJCCJSA-N 466.968 7.180 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 408794620 JRAVRYJTAFHMAX-UDWIEESQSA-N 451.353 6.680 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1cccc([N+](=O)[O-])c1 408799610 ZPDMFKLVPVHQIV-CIAFOILYSA-N 457.486 5.345 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1ccc(F)cc1 408809170 KMDISNJJJWQCDY-DEDYPNTBSA-N 464.924 6.311 50 40 JKGB O=C(N/N=C/c1ccc(O)cc1)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1 408840680 CZQKQSOZFQLUAR-BRJLIKDPSA-N 494.916 5.185 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1cccc(C)c1 408842715 CELVAJQFZDVHKS-RHANQZHGSA-N 454.526 5.821 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 408888785 ARAWRYZDAUHNAA-QGOAFFKASA-N 482.945 5.052 50 40 JKGB O=C(N/N=C/c1cccc(OC(=O)c2cccc3ccccc23)c1)c1ccc(Cl)cc1Cl 408889368 DBFADLOOHOZMDL-RWPZCVJISA-N 463.320 6.130 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(C(=O)O)cc1 408985154 VWWFQXAAIOOKBA-UDWIEESQSA-N 476.916 5.480 50 40 JKGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 409042407 MVDNZZBXEIIIMV-DHRITJCHSA-N 458.301 5.173 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)c1C 409089686 NLXATSFUYPIJRG-WQRHYEAKSA-N 481.430 6.568 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 409195332 OQTUJLSZOXOQNT-CLQLBINOSA-N 482.367 5.729 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 1455692 JLNGRVWGBRXSIT-GZTJUZNOSA-N 480.376 6.846 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(F)cc3)n2-c2ccc(Cl)cc2)cc1 1738479 PIAYZLDLEFDNEE-MZJWZYIUSA-N 479.968 5.278 50 40 JKGB COc1cc(N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)c(OC)cc1Cl 2280049 HRAXNKLFCKQQDT-RAXLEYEMSA-N 476.783 6.220 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3C)N(c3ccccc3)C2=O)cc1 2284432 USIGMUACXOJNFX-MZOFLMDJSA-N 453.567 5.368 50 40 JKGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccc(C(C)C)cc1 2310796 OATFRVKDUYMCGM-GOTSBHOMSA-N 477.586 5.068 50 40 JKGB Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NN=C3c4ccccc4-c4ccccc43)cc2)c1 3249914 ZHTCACLDKNPOIY-UHFFFAOYSA-N 460.577 6.860 50 40 JKGB COc1ccc2nc(Cl)c(/C=C(\C#N)c3nc(O)c4cc(Br)ccc4n3)cc2c1 9090434 ZWNXJOZYVRCDTC-NTUHNPAUSA-N 467.710 5.372 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCCOc2ccc(C)cc2)cc1 9762288 DYWORNIKYQBFDG-DEDYPNTBSA-N 481.379 6.614 50 40 JKGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 12641031 UKFTWFQXTJUNNF-KCSSXMTESA-N 499.574 5.567 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccccc1Cl 20171368 BURGSTRZPOEYIL-QFIPXVFZSA-N 471.409 6.352 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@H](C)SCc3ccccc3)c2C)cc1 20243840 ZPCFPQKOZVZJMC-FOGHPNEFSA-N 484.463 5.937 50 40 JKGB C/C(=N/NC(=O)c1sc2ccccc2c1Cl)c1cccc(NC(=O)/C=C/c2ccccc2)c1 22710019 NGUSOSAIAXRAEF-MMJMHBKGSA-N 473.985 6.361 50 40 JKGB N#CC1=C(SCC(=O)c2ccc(Cl)cc2Cl)NC2=C(C(=O)CCC2)[C@H]1c1cccnc1 25425055 OGDIHIILUWYNIX-NRFANRHFSA-N 470.381 5.434 50 40 JKGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1cccc(OC(=O)c3ccccc3Cl)c1)CO2 30696710 LATXTMYUKODGOA-XSKYCKKESA-N 492.959 5.147 50 40 JKGB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C\c1cc(OC)ccc1O 33339742 IRXNIHTYAWBMOB-YBEGLDIGSA-N 482.945 5.505 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cccc(C(=O)O)c1 33447159 JIMLOXBHGGUDPE-UNOMPAQXSA-N 477.314 5.272 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 33560801 NMYZUEBSLRHSHC-IUXPMGMMSA-N 470.268 6.453 50 40 JKGB CCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OCC)c1 35155509 JMXGQRBHDJFLRG-MIXAMLLLSA-N 480.992 6.261 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1Cc1ccc(Cl)cc1 59336132 NCMDYCIJPPNXEG-AQTBWJFISA-N 494.809 7.504 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2F)cc1 59536593 ALXVSAKUUOYQOF-LDADJPATSA-N 481.321 5.721 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1 207058975 FOMXPMJSZIQTCK-XESZTULISA-N 451.353 6.357 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(C(C)C)c3ccccc23)c(C(=O)OCC)c1C 408546033 CUKNRZMZBHNETQ-LDADJPATSA-N 492.597 5.664 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 408579197 DOMVCEFFBKIQLI-WOJGMQOQSA-N 497.776 6.193 50 40 JKGB COc1ccc(/C(C#N)=C/c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1OC 408584048 ZQQBKRZEALXKFA-RGVLZGJSSA-N 462.933 5.747 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1cccc(Cl)c1Cl 408590865 QUSLJNJUUUYYTD-RWPZCVJISA-N 450.369 6.247 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)Sc3nc4ccccc4[nH]3)c2C)cc1Br 408598869 KQBWWNBZZKLPMX-YBFXNURJSA-N 463.404 6.698 50 40 JKGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 408719893 OJHWBIXANZUHMW-LGJNPRDNSA-N 459.398 5.956 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Br)cc1 408725655 MAZZNXBXAUDPLA-BKUYFWCQSA-N 491.385 6.199 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 408787867 HBKCNDDDGNJRSN-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1ccccc1Cl 408798241 VLZYUNFBHCYRAL-GIJQJNRQSA-N 482.754 6.643 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OCc2ccc(Cl)c(Cl)c2)c1 408812597 MDYLVUDMHSBGHE-LDADJPATSA-N 453.325 6.127 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OCc1ccccc1Cl 408818634 PVXRVTWLZVOROW-STZFKDTASA-N 476.935 6.341 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 408858530 PWGSBOAXSOLOKI-HKOYGPOVSA-N 486.546 7.565 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(OCc2ccccc2Br)c1 408893614 HEPXXKXSXKTFAC-DEDYPNTBSA-N 477.358 5.891 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Br)c1 408894510 JJCZXTIDBRJKTP-KGENOOAVSA-N 461.359 6.191 50 40 JKGB CC[C@@H](C)Oc1c(Br)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC 409244954 LEUWXARXKSZVIP-KZZLEIPFSA-N 457.368 5.419 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2)cc1OC 409319183 BSUHBDJVGIKTRA-YUMHPJSZSA-N 450.922 5.256 50 40 JKGB COc1cc([C@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(Cl)cc1Cl 409371498 GHGVVMKYBNQADS-HXUWFJFHSA-N 476.429 5.924 50 40 JKGB Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)[C@@H](Cl)[C@@H]4Cl)cc2)c(C)c1 801486 URCMITFKECEGNF-FGZHOGPDSA-N 489.424 6.238 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(Nc3nc(-c4ccccc4)cs3)cc2)c(O)c1 2303944 AZSYGUXQBOAJKN-OGLMXYFKSA-N 485.613 5.869 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 2670770 CJZGDMYGFYRXPU-SFQUDFHCSA-N 480.376 6.846 50 40 JKGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 3084739 LCZKOFRPSQREBB-MUFRIFMGSA-N 475.013 6.456 50 40 JKGB C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 3166856 BBTDRUMRGLKZCA-HEOQCTJZSA-N 487.781 5.599 50 40 JKGB Cc1cc(C(=O)N/N=C/c2c(-c3ccccc3)n(C)c3ccccc23)c(C)n1-c1ccc(F)cc1 3285785 VBLNTGTZEGOBED-FDAWAROLSA-N 464.544 6.156 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 9203281 HWWVJZVRVYSPEN-MZJWZYIUSA-N 464.338 5.284 50 40 JKGB CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 12401430 OSZOMTQXLYKHSY-KBKYJPHKSA-N 495.407 5.549 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)OC[C@H]2CC2(Cl)Cl)c(C)n1-c1ccc(Br)cc1 12526788 YVDPGYDREIOANH-WPBGYSLVSA-N 468.178 5.501 50 40 JKGB Cc1cc(NC(=O)c2ccc(CCl)cc2)ccc1S(=O)(=O)Nc1ccc(Br)cc1 12649053 TWYDDLHIJPPXOZ-UHFFFAOYSA-N 493.810 5.549 50 40 JKGB CC(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)c1 13174291 PLYGRMTYJMPDHX-XMMPIXPASA-N 492.000 5.344 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/C=C\c1ccco1 13898633 AUCNOQQIVYPWBV-DHJNWAGISA-N 498.395 5.742 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc4ccccc34)nc3ccccc3c2=O)cc1 16712427 DOFXCFQQXRJUNE-RHANQZHGSA-N 478.577 5.090 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(F)cc1 20195236 YTOSONUKVBDIEE-WKULSOCRSA-N 468.956 5.766 50 40 JKGB Cc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c(C)n1-c1ccccc1Br 20241652 YWTXUOINNQZIGD-AFUMVMLFSA-N 490.854 6.143 50 40 JKGB Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(Cl)c3)NC3=C2C(=O)CCC3)cc1 20348382 ORJTZVSLGXTONQ-XMMPIXPASA-N 478.017 5.758 50 40 JKGB C/C(=N/NC(=O)c1sc2cccc(Cl)c2c1Cl)c1ccc(NC(=O)C(F)(F)F)cc1 22710096 WSHVJTXPSJHGQS-WMDMUMDLSA-N 474.291 5.863 50 40 JKGB N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 33567987 UFGJAISMADDNSR-UVTDQMKNSA-N 450.338 6.530 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 33827071 KXLQLOZGZKYWRE-AMVVHIIESA-N 497.353 6.637 50 40 JKGB C[C@H](Oc1ccc(/C=N\NC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1)C(=O)O 59249043 HIALRABNMSICAN-KWVURHNMSA-N 461.562 5.162 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1cccc(F)c1 59335705 JTRRBGNKXVUXJA-UCQKPKSFSA-N 456.517 5.996 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c([N+](=O)[O-])c1 98087421 BQQIVRHTRWWNHP-PDGQHHTCSA-N 486.915 5.805 50 40 JKGB CCN1c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2C(C)=CC1(C)C 208506709 VCOSAKNJKWQNAJ-TWKHWXDSSA-N 453.586 5.095 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 408543609 PHEFEWKUMVHVPX-JAIQZWGSSA-N 476.916 5.437 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)c3ccccc32)c1 408544453 WCQBGZZTNOQKDN-HAHDFKILSA-N 463.537 5.639 50 40 JKGB C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OCC 408555905 ZTXHEYVMXLPXOS-XSFVSMFZSA-N 471.582 5.183 50 40 JKGB CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408711882 OTCFNBQOCLIIFR-YUMHPJSZSA-N 452.938 5.019 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 408749356 NQCXQZQHGCNIKV-AFUMVMLFSA-N 453.336 5.109 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408792739 BWLFBQUKWXHMHA-LZYBPNLTSA-N 486.286 6.165 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408799101 XVFPLERHHVLUMR-RGVLZGJSSA-N 491.931 5.998 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)c(C)c1 408911870 OUDCPZZRLQHERF-AJBULDERSA-N 466.581 6.209 50 40 JKGB CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br 408981323 AHOSYPKBHFYLEH-OQLLNIDSSA-N 463.759 5.754 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409008307 VPDWJCOUFHCRCJ-HAHDFKILSA-N 483.568 5.574 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OCc1ccc(C(=O)O)cc1 409022678 PAJISRGHYKPATP-MUXKCCDJSA-N 492.915 5.526 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1cc([N+](=O)[O-])ccc1O 409041913 KUTURQUMSNCCLR-KBKYJPHKSA-N 483.311 5.374 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OC)c1OCc1ccc(C)cc1 409187483 RAPSNNJLBHYMPC-MNBJERMJSA-N 498.579 6.220 50 40 JKGB N#C[C@H](C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1 409203795 ZIFSSLKWKSXJSH-ICSRMJQJSA-N 498.380 5.939 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409258969 WHHVGWIZFUXGCW-HMAPJEAMSA-N 469.541 5.184 50 40 JKGB Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)c1C 409264388 LBUOJROGCSLQFD-YBFXNURJSA-N 494.378 6.173 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)cc1 585145844 WBSOGOCKXCLARZ-GFPSIVFYSA-N 473.576 6.425 50 40 JKGB COC(=O)c1ccc(C(=O)OC)c(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c1 2307799 UUESWGUPQBGEHC-RVDMUPIBSA-N 498.358 5.122 50 40 JKGB N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2335290 VDIRWHHKAVXNED-CKVBZJJFSA-N 494.403 6.058 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)sc(C(C)=O)c1C 2391690 AXRISMDNDYTKQO-GDNBJRDFSA-N 455.536 5.675 50 40 JKGB Cc1cc(C)c([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(Cl)cc1 2726831 ANWPMWPXPFDRDA-ZEQKJWHPSA-N 468.988 6.129 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1cccc2ccccc12 2774443 QKXHDGGETFOYAO-XQNSMLJCSA-N 492.531 6.061 50 40 JKGB C[C@@H]1CCc2sc(C(=O)N/N=C/c3sc(N4CCCCC4)nc3-c3cccs3)cc2C1 3383410 QBKOMASLLJVNHU-LZCVXGSNSA-N 470.689 5.812 50 40 JKGB Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4n3C)c(Oc3ccc(C(C)(C)C)cc3)nc12 9191796 KZCDLNIVBBESDJ-LVZFUZTISA-N 489.579 6.044 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCCOc2cc(C)cc(C)c2)cc1 9280214 SPBMQOWSJSFVFD-FYJGNVAPSA-N 495.406 6.922 50 40 JKGB C/C(=N\NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)c1ccc(Cl)cc1 12311314 RVKILMLGXNMGOB-STBIYBPSSA-N 453.929 5.808 50 40 JKGB O=C(NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(COc2ccc(Cl)cc2)cc1 12567109 VCIUXTSSRXMFRG-UHFFFAOYSA-N 473.960 5.354 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ncc(Br)cc3[nH]2)ccc1OCc1ccccc1 12630838 QIYAFYYFQFDYMQ-RQZCQDPDSA-N 461.319 5.372 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1cccc(O)c1 19826510 MEZYDZONSKMDGN-NLRVBDNBSA-N 463.607 5.097 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3C)c2C)cc1C 20243623 CVEPWHOAXCZQJE-UVHMKAGCSA-N 498.490 6.165 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CSCc3cccc(Br)c3)c2C)c1 28216111 QTBZPDAFYPOFGV-DHRITJCHSA-N 470.436 5.549 50 40 JKGB C/C(=N/NC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccc(C2CCCCC2)cc1 33679529 IMLGWYIUKPMEJD-NVMPUMLXSA-N 477.608 7.016 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Br 59335220 FREGETCFHPSYFR-ZSOIEALJSA-N 464.157 5.464 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 109020423 HIPWQFRMLDSBBN-ODLFYWEKSA-N 486.959 5.923 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OS(=O)(=O)c1cccc2ccccc12 113833294 KTMWOHCKHXRGEA-HMMYKYKNSA-N 481.533 5.557 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccc(Cl)cc1Cl 207148474 KLWPSQIZNIZSNU-BKUYFWCQSA-N 495.406 7.079 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(C)C 223546712 VXAFGVCSNRMVKK-HEOQCTJZSA-N 472.427 5.722 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 408543462 PEMPXFHXLYLFTQ-VXLYETTFSA-N 478.379 7.138 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)c1ccc(Cl)cc1 408578876 BHXJOLYDZBMPTG-GIJQJNRQSA-N 458.728 6.988 50 40 JKGB O=C(NNc1ccc(OCc2ccc(Cl)cc2Cl)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 408612837 YXSXVVIXFYGWEU-QGZVFWFLSA-N 470.356 5.069 50 40 JKGB Cc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 408725039 NSOPTSCVWLEQHT-NJZRLIGZSA-N 456.549 6.279 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccccc1 408744092 WMHHGIGGKBTXGV-YVLHZVERSA-N 457.744 6.771 50 40 JKGB O=C(N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 408767616 YYUXYIOKDGAMHH-UXHLAJHPSA-N 489.487 5.884 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)c1 408793051 CWEYEYUGOUAURU-HZHRSRAPSA-N 452.941 6.926 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OCC 408810579 JZWJWVJGLDUGFU-CXUHLZMHSA-N 477.786 6.144 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408815084 UFZVYCOMYRVQTD-NDENLUEZSA-N 467.352 5.804 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2cccc(F)c2)c2ccccc12 408815655 XQCNDEZRHIVTHR-XSFVSMFZSA-N 457.936 6.645 50 40 JKGB N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccccc1 408818062 XSBRXRHQMBLJNA-YBFXNURJSA-N 469.176 6.855 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccnc2)c(Br)cc1OCc1ccccc1Cl 408847458 MLIYERUHGKINRB-LGJNPRDNSA-N 488.769 5.239 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1Cc1ccccc1F 408877612 WFARXKIDCJYIGC-RQZCQDPDSA-N 455.316 6.278 50 40 JKGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCCCCCCC1)c1cc(Cl)ccc1Cl 409025398 QRMNAPYIPQDOPY-UHFFFAOYSA-N 476.470 5.536 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Br)c1 409042751 OSEMZRULQGWIPE-CPNJWEJPSA-N 490.357 5.321 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cc(-c2ccccc2)nc2ccccc12 409045977 QNMDOIXQVRMPLA-OKCVXOCRSA-N 486.358 7.233 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1OCc1ccc(Cl)cc1 409070179 DTRBMFBKZYZQGN-KGENOOAVSA-N 455.945 6.597 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1 409072618 UCACJDONZZMCPJ-CPNJWEJPSA-N 496.972 5.361 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Cl)c1C 409267607 ONTPQNNTJZGXKN-LPYMAVHISA-N 473.960 5.198 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409268394 SSJMNFXPZSYEPD-CPNJWEJPSA-N 477.904 5.729 50 40 JKGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 409363602 MNOSORIAXIVBCU-IPPBACCNSA-N 494.378 5.460 50 40 JKGB N#C/C(=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccc(C#N)cc1 409368462 WZVQTXDEVJHWQF-JMIUGGIZSA-N 494.186 6.726 50 40 JKGB COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1 1791568 NZTQMRGQCRDURC-DHRITJCHSA-N 494.667 5.543 50 40 JKGB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1 1932481 WAINFLDUVFKTGD-DEDYPNTBSA-N 479.001 6.914 50 40 JKGB N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2329359 DNTAOGUSSXZDSR-YDYXIROLSA-N 473.985 5.083 50 40 JKGB aggregator Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1 2797281 DLXHLLWMXKDMDC-UKTHLTGXSA-N 475.810 6.381 50 40 JKGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 3042275 MPANQMRJYLCZTP-MUFRIFMGSA-N 467.009 6.843 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccccc1Br 4083524 VBHWLBZYRUCFQH-STZFKDTASA-N 487.401 5.604 50 40 JKGB COc1cc2c(cc1N/C=C(\C#N)c1nc(-c3ccc(CC(C)C)cc3)cs1)oc1ccccc12 9007905 RFGBJXUUJHTXRF-LTGZKZEYSA-N 479.605 7.893 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(F)cc3)N(c3ccc(F)cc3)C2=O)cc1 9209500 HVRJDXHLLAPYRT-GPSDDGMOSA-N 475.520 5.338 50 40 JKGB N#C/C(C(=O)Nc1cccc2ccccc12)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 9379733 ANACNVMZHFQITH-IYQUHZLLSA-N 475.573 5.905 50 40 JKGB N#CC1=C(SCC(=O)Nc2cc(Cl)ccc2Cl)NC(=O)C[C@@H]1c1cccc2ccccc12 12250489 XDNKYMCIOKEZDU-GOSISDBHSA-N 482.392 5.857 50 40 JKGB CC(=O)c1cccc(-c2ccc(/C=N/NC(=O)N/N=C/c3ccc(-c4cccc(C(C)=O)c4)o3)o2)c1 16322041 BNBADTOSDLPYFD-QSXCDPBRSA-N 482.496 5.279 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@H](C)Sc3ccc(Cl)cc3)cc2)cc1 28214188 JGOZCABOPIAXFW-FLOSOGMCSA-N 482.005 5.297 50 40 JKGB COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)cc1 33646041 OHAHACUXSCKJIK-MOSHPQCFSA-N 489.959 5.529 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117453 ZZVAJWJVLRIUCQ-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 59297501 NHGBANMQMVTKIA-GZTJUZNOSA-N 468.296 6.026 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1 96265089 GVRSEUHAVNGUQA-PDGQHHTCSA-N 456.889 5.797 50 40 JKGB CCCCCCCCCCCCCCCC(=O)NNC(=O)c1c(O)n(CCC)c2ccccc2c1=O 102531568 PUEFJBQTWRBGIT-UHFFFAOYSA-N 499.696 6.359 50 40 JKGB CCCSc1[nH]c(C(C)(C)C)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 104476120 SKFTZOCTTOLDCH-UHFFFAOYSA-N 459.619 5.829 50 40 JKGB N#C/C(=C(\Nc1ccc(F)cc1)SCC(=O)c1ccc(Cl)s1)c1nc2ccccc2s1 105838162 MNSBGWXAQNNRBA-QNGOZBTKSA-N 486.018 7.071 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cc(Cl)ccc1Cl 209385129 LAQBICMUZMTDSV-XFFZJAGNSA-N 462.676 6.361 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc(C)cc1 408541248 FOFBPECRRLNDLQ-NHDPSOOVSA-N 490.943 5.870 50 40 JKGB CCCOc1c(I)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OCC 408582702 PDXYEFUEYOSWTI-LICLKQGHSA-N 493.341 5.560 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccc(Cl)cc1Cl 408588702 JIULSDZEZPRNCD-RWPZCVJISA-N 450.369 6.247 50 40 JKGB O=C(NNc1cc(Cl)ccc1OCc1c(F)cccc1Cl)[C@@H]1CC(=O)N(c2ccccc2)C1 408603181 FUJDBAKYTJKFRC-OAHLLOKOSA-N 488.346 5.208 50 40 JKGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)c1C 408608198 GSXGBVYTYFVSCY-KVSWJAHQSA-N 488.346 5.417 50 40 JKGB CCc1cccc(CC)c1N1C[C@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O 408653958 QFIJLQMGAWRUNP-TZIWHRDSSA-N 476.400 5.241 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 408724976 FQBQEFQZQATFFH-NDENLUEZSA-N 481.379 6.689 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2-c2cccc3ccccc23)cc1 408725431 OXBDMRVFVIYVBC-KBVAKVRCSA-N 499.401 7.072 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1Cl 408735421 RRTAMRBZJMTTRX-UDWIEESQSA-N 481.379 6.825 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)c(OCC)c2)c1 408744579 GCCQDZFYLFVUEN-UQQQWYQISA-N 492.575 6.762 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(I)cc1 408785929 JYTHALHMUIESBU-YBEGLDIGSA-N 493.175 7.070 50 40 JKGB CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2c1 408789063 IWAHNWCOQSKWKE-WJDWOHSUSA-N 455.341 6.490 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccc(C)cc4)cc3)cc2)cc1 408828549 MZGKMFNYJWGHES-TURZUDJPSA-N 488.587 7.007 50 40 JKGB Cc1ccc(NC(=O)Cn2cc(/C=N\NC(=O)c3cc4ccccc4o3)c3ccccc32)cc1 408853554 PJBMDIKCAVBZAW-MBTHVWNTSA-N 450.498 5.099 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408888617 XXEYOQSHSUHCBG-VCHYOVAHSA-N 482.323 6.335 50 40 JKGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OC(=O)c1cccc2ccccc12 408889001 ANKRLBHMYLJOEJ-MUFRIFMGSA-N 488.927 5.250 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc2ccccc2c1 408889932 LFJWPNFEWMVPIG-IPPBACCNSA-N 483.782 7.143 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)c1 408968848 ZRHKZCLNKAWPDA-ODLFYWEKSA-N 482.367 6.123 50 40 JKGB Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 409020090 ZDGVAOJGTHKOPF-SXLHCEKXSA-N 495.623 5.670 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OC)c1OCc1ccc(C)cc1 409067598 FXFASICJWDPXOS-WGOQTCKBSA-N 452.554 5.535 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409085961 PHYFCEAJNGKJKV-GZTJUZNOSA-N 476.401 5.666 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1OC 409312055 JDELKSRJPZIKKJ-MBTHVWNTSA-N 496.947 5.179 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1OC 409321855 HOVQTFFPSBQWDN-NTFVMDSBSA-N 464.949 5.565 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccc(Cl)cc1 409361720 QSMUTCCSBHAROM-KBKYJPHKSA-N 473.312 5.074 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3C)C(=O)N2c2ccc(F)cc2)cc1 935077 KNJXXSVEJYVPOG-NLTRVXJZSA-N 471.557 5.508 50 40 JKGB CC[n+]1c(/C=C\c2ccc(N(CCCl)CCCl)cc2)ccc2cc(Br)ccc21 5732316 XLSRVTVULMJCGF-UHFFFAOYSA-N 479.269 6.364 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)C(O)(c1ccccc1)c1ccccc1 8893735 AFQAIZHFBVHQAQ-NDZAJKAJSA-N 470.956 5.305 50 40 JKGB CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccccc1Cl 9186803 NIHKLVONHTUHIG-QFIPXVFZSA-N 455.942 5.136 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)cc1 9263060 JQDPGWLBLSPZOW-HYARGMPZSA-N 485.971 5.675 50 40 JKGB Cc1ccc(Cl)cc1N/C=C(\C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 9445051 WOGNYTPJEFNTHF-GXDHUFHOSA-N 498.789 6.617 50 40 JKGB C/C(=N\OCC(=O)NN=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1)c1ccc(Cl)c(Cl)c1 13306837 RMMXCQYPMLANHJ-IPPBACCNSA-N 478.420 5.734 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccccc1Cl 13584288 XTWKQFVUEBFLIU-USHMODERSA-N 490.032 5.837 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OC(=O)c1cccc2ccccc12 15277321 BHNXLOFJVDMOCX-LTGZKZEYSA-N 476.557 7.132 50 40 JKGB COc1ccc(N2C(=O)C(C#N)=C(C)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1 16750983 VUDAKWCEHKCLEN-BKUYFWCQSA-N 489.325 5.515 50 40 JKGB COc1ccc(C(=O)NC(C#N)=C(Sc2ccc(Cl)cc2)Sc2ccc(Cl)cc2)cc1 27988131 DEMXTMZBARMTRA-UHFFFAOYSA-N 487.433 7.009 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 34702940 CVNPAPNHAHBDRH-JVWAILMASA-N 455.470 5.100 50 40 JKGB O=C(N/N=C/c1ccccc1Br)c1ccc(CSc2ccc(Cl)cc2)cc1 58915994 SAYHDBSCLJYYQJ-ZMOGYAJESA-N 459.796 6.159 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 59297509 GYMDFDPBRNWLHV-LICLKQGHSA-N 491.334 6.450 50 40 JKGB CN(C)C(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 59333936 IZIXCVXENOYVNP-AUWJEWJLSA-N 498.602 5.439 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1F)c1ccc(Cl)cc1 59445014 AQZHIBIYPZMOND-BRJLIKDPSA-N 461.718 5.585 50 40 JKGB COc1ccc(C2=NO[C@@](C)([C@H]3CC=C(C)/C(=N\NC(=O)c4cc5cc(F)ccc5[nH]4)C3)C2)cc1 100225965 KTLIHWUTBYFXDM-JQTHSBKBSA-N 474.536 5.341 50 40 JKGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Cl 110220498 FWLOVWNMSLRUQH-SFQUDFHCSA-N 479.895 5.051 50 40 JKGB O=c1[nH]c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)nc2sc3c(c12)CCCC3 196586841 IGTQRSCILBYVFK-UHFFFAOYSA-O 481.581 5.358 50 40 JKGB CC(C)[Si](Oc1cc(N)c([C@@](O)(C#CC2CC2)C(F)(F)F)cc1Cl)(C(C)C)C(C)C 198120303 ANQURARMFOGDLJ-NRFANRHFSA-N 462.028 6.640 50 40 JKGB in-vitro COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 408552405 SWXRFODQFGXZPQ-UUYOSTAYSA-N 486.930 6.723 50 40 JKGB CCOc1c(Cl)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Cl 408569735 PSMCPVXQUZXNCE-FOKLQQMPSA-N 471.431 5.400 50 40 JKGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2cccc(Cl)c2)cc1Br 408722897 OAKHDVINZQJVCZ-UFFVCSGVSA-N 472.564 5.194 50 40 JKGB CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)s1 408731072 KHIWPCGOGHHXQV-WGOQTCKBSA-N 459.575 5.056 50 40 JKGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc(C(C)(C)C)c1O 408760986 BKBZDBZXAVKFNK-UZWMFBFFSA-N 486.656 6.649 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408792877 BSUGGSNVGVFEKP-UDWIEESQSA-N 491.931 6.080 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc3ccccc3c2)c1 408792975 CLHXVXBBUDCZDO-BUVRLJJBSA-N 497.392 7.035 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 408794284 RUXFJNDQCKQJCK-UDWIEESQSA-N 481.379 6.825 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408797290 RBMAMMVFBGGKDI-WOJGMQOQSA-N 478.302 5.482 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408798662 WOICJXUHJWLHLG-RQZCQDPDSA-N 498.322 6.035 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1cccc(Cl)c1 408820042 ZYVRRWWINFROHK-VXLYETTFSA-N 467.352 6.435 50 40 JKGB CCN(CC)c1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(OC)c1 408849737 YAVSMDRJXOXZOV-YQYKVWLJSA-N 480.612 6.071 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 408877511 RZTOGZRLFMYSKO-PXLXIMEGSA-N 486.493 7.292 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1Cc1cc(C)cc(C)c1 408882253 LZQLAZSKAYDAFX-KEBDBYFISA-N 465.380 6.755 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Br)cc1 408896918 UTYAEUAUWSBMEB-CPNJWEJPSA-N 481.777 6.536 50 40 JKGB CC[C@@H](C)Oc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 408949915 STFQVYCUXPPZPX-RMJYUUNHSA-N 494.183 5.899 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1cc(Cl)ccc1Cl 408963405 NVMHBIYZOWBFTG-LUOAPIJWSA-N 454.279 6.184 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1 408980031 PONCJLQNYHAIDB-RAQUAXEKSA-N 474.344 5.581 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1 408987256 FJZZWTOEFLUPKM-JAIQZWGSSA-N 495.804 6.844 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cccc3ccccc23)c(C)n1-c1sc2c(c1C#N)CCCC2 408994945 JWUSFEDZZGRDAL-MWLSYYOVSA-N 452.583 5.823 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OCC(=O)Nc1ccc(C)cc1 409019673 VNAJEBQQFFUYPT-MUXKCCDJSA-N 491.931 5.185 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1 409048863 UHTNIQAQZVHMIP-UNOMPAQXSA-N 475.932 5.220 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1Cl 409053168 LRYFAQRMYRHCCY-LUOAPIJWSA-N 465.739 6.437 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 409091835 SGWLAQFOGTUFEZ-LDADJPATSA-N 481.430 6.568 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4cc(C(=O)OC)ccc4Cl)o3)cc2c1 409187026 KZYVRMUAABWTDG-ZMFRSBBQSA-N 466.877 5.295 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)C(=O)NCCCc1ccccc1 409235827 CDWAXACOZGGDRN-QJOMJCCJSA-N 464.525 5.254 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1sc2c(c1C#N)CCCC2 409240215 RXEYMGXVRFBUPH-WQRHYEAKSA-N 494.542 6.471 50 40 JKGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 409264910 LRULDHNNXYVORR-FMFFXOCNSA-N 473.620 6.833 50 40 JKGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccccc1OCc1cccc2ccccc12 409265305 SAMPDGVEWPSSIY-JVWAILMASA-N 455.470 5.100 50 40 JKGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 409363100 KYGKXKNHUGSYLC-FDAWAROLSA-N 475.548 5.307 50 40 JKGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(c2ccccc2)c2ccccc2)o1 409390479 DCJKVDQKPWXWDX-NDZAJKAJSA-N 460.537 5.723 50 40 JKGB CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccccc2)sc2c1CCCC2 1454095 ILEQCHVCDFQHIG-SFQUDFHCSA-N 460.559 5.128 50 40 JKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)cc3C(=O)c3ccccc3)n2)cc1 1764651 UUXPFOQXDYUSSY-HMMYKYKNSA-N 455.970 6.980 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 2246028 VHYSDWPYIMZRIV-CXUHLZMHSA-N 498.764 5.754 50 40 JKGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1Br 3217478 ZNKIHAZTCPYRME-LGJNPRDNSA-N 468.738 5.317 50 40 JKGB COc1cc([C@@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)ccc1OCc1ccccc1 9693550 FRRTYRALMKEJMH-QHCPKHFHSA-N 497.620 5.802 50 40 JKGB O=C(N/N=C/c1ccccc1Br)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccn1 12531223 KSZMXARQWJOAKN-VULFUBBASA-N 480.753 5.114 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccc(Cl)cc1 20130415 XLQRCDPTAXGLAF-DEOSSOPVSA-N 494.016 5.446 50 40 JKGB CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC 33383127 PBKKVQPXFIFKGE-OBTCNRAFSA-N 453.753 6.378 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OC(C)C 59104402 ZAPPIJHLSINBMK-ODLFYWEKSA-N 496.405 5.382 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 59201379 UZYLWAXBRSVTII-NDENLUEZSA-N 481.379 6.825 50 40 JKGB C/C(=N\NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1 59473589 ZGSLHINJQMDHPI-DCMOEJRUSA-N 451.979 5.613 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(F)cc1 59536363 FAIYXGVPYBZXNF-XDHOZWIPSA-N 465.322 6.021 50 40 JKGB CCCCCCCC[C@@H](Br)[C@H](Br)CCCCCCCC(=O)OC 100051943 QNMTXFWVHQDSNR-QZTJIDSGSA-N 456.303 7.168 50 40 JKGB Cc1ccc(NC(=O)[C@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1 100848638 REKYONRMOXMTDQ-ZLIFDBKOSA-N 494.065 5.619 50 40 JKGB C[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N=C2CC(C)(C)CC(O)=C21 102590455 BBIXGHLESUQPEB-GFCCVEGCSA-N 460.397 5.579 50 40 JKGB COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(C)c3)N=C3CCCC(O)=C32)ccc1O 102619410 XIZZDSBKNXBQAG-VWLOTQADSA-N 489.597 5.659 50 40 JKGB CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)cc1 252478494 ANRVFHYXBNDAPS-GZTJUZNOSA-N 458.867 7.288 50 40 JKGB CCCCCCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)NCc1ccccc1 408538513 OAZMYOKSCIFBQT-CJLVFECKSA-N 469.423 6.412 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 408544434 WBFBHIKMELLFMO-ZDLGFXPLSA-N 490.346 6.240 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccccc2O)cc1-c1ccc(-c2ccccc2)cc1 408724414 JXPLYGUWXGXWOE-AJBULDERSA-N 472.548 5.984 50 40 JKGB C/C(=N\NC(=O)CSCc1ccc2ccccc2c1)c1cccc(I)c1 408728224 XCHWXRBYICHDHL-HZHRSRAPSA-N 474.367 5.218 50 40 JKGB O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1cccc(O)c1 408733530 YYJLPIIODYXPKF-RGXNXFOYSA-N 491.978 6.934 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3Br)c2C)c1 408743838 BXIIHMXWKNLVNG-UYRXBGFRSA-N 464.363 5.801 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1C#N 408787520 BETYGLXGFCFDMS-ZVHZXABRSA-N 451.526 5.699 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)c1 408787763 FWMYWTIZIXSVIX-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 408792161 IXCWKWICQLBUIU-VXLYETTFSA-N 469.343 6.820 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408795989 NWKBGEZESOUMTF-WSDLNYQXSA-N 473.359 7.271 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c1 408800377 OPKZSUPTJUPXOD-XQNSMLJCSA-N 477.520 6.490 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)cc3Cl)c(C)c2)c1 408859532 XUIYKYHIIIHZDP-WSDLNYQXSA-N 479.407 7.352 50 40 JKGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccc(I)c2)c1C 408968539 WXBZAZYRDGKUQO-ZVHZXABRSA-N 471.342 5.025 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCc1ccc(Br)cc1 408980099 UTUIPOXTKCCKHU-UDWIEESQSA-N 480.362 5.488 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1cc(-c2ccccc2)nc2ccccc12 409035333 POPVZRLZJSIGJT-MUFRIFMGSA-N 496.910 6.487 50 40 JKGB N#CC1=C(SCc2ccc(Cl)c(Cl)c2)NC(=O)C[C@H]1c1cccc(Br)c1 409315280 IGUFXTWKJXMVIS-AWEZNQCLSA-N 468.203 6.028 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)c2C)cc1Cl 409393707 ZDQSRXDNJMMWGI-UXHLAJHPSA-N 455.989 6.338 50 40 JKGB O=C(CSSCC(=O)Nc1ccc(Br)cc1)Nc1ccc(Br)cc1 1617563 VJGBPTWSPRDFRI-UHFFFAOYSA-N 490.242 5.170 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1Cl 2355462 NWINUPDOWQAFKP-HVBJHMBASA-N 491.975 5.853 50 40 JKGB CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)sc2c1CC[C@H](C(C)(C)C)C2 2366284 MABMKMSZQIVDNI-DGDHUYAWSA-N 491.682 7.176 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc(CSc2ccc(Cl)cc2)cs1 8815944 RQDAMGIORBLYQS-HXUWFJFHSA-N 457.020 6.145 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 9057482 AXUGJLJAKXSFEE-YRNVUSSQSA-N 456.773 5.101 50 40 JKGB CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)cc1 9066458 CETZPNVTSLLJNR-LTGZKZEYSA-N 462.578 7.000 50 40 JKGB O=C(COc1cccc2ccccc12)N/N=C/c1cc(Br)c(Oc2ccc(Cl)cc2)o1 9261900 YHMOAQHMXNFVHS-LGJNPRDNSA-N 499.748 6.170 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C3SCN(c4ccc(C)cc4)CN3CN2c2ccc(C)cc2)cc1 12250562 DCQQEFRLBLNWKG-HHHXNRCGSA-N 468.626 6.036 50 40 JKGB COc1cccc(/C(C)=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c1 12465327 JGBFYUYMBKSNIM-PCLIKHOPSA-N 494.667 5.625 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cc4ccccc4)cc3)cs2)cc(OC)c1OC 12559650 QTOUPBSFMDZVBB-OEAKJJBVSA-N 468.578 6.491 50 40 JKGB C/C(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)=N\NC(=O)c1ccc2ccccc2c1O 12629269 UIZWXAWXLXMFIZ-KVSWJAHQSA-N 463.843 5.352 50 40 JKGB Cc1ccccc1C[C@@H](C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1 16157913 HQENGQFKTVDOGB-FNLZXBKISA-N 487.943 6.293 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 32116839 AEYVSFAIAQMNRW-VBKFSLOCSA-N 465.918 5.954 50 40 JKGB COc1ccc(/C=N\NC(=O)c2sc3ccccc3c2Cl)cc1Cn1nnc2ccccc21 33365304 SMJPWYTXGXKEIY-ZMFRSBBQSA-N 475.961 5.120 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)ccc1OCc1cccc(C(=O)O)c1 59247920 NMEGTZCLZNPMKK-OCSSWDANSA-N 497.551 5.144 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1OCc1ccc(Br)cc1 59445288 PGXYPGBKNODYKI-LQKURTRISA-N 489.369 5.954 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 105066842 FOJSGOBQTQABBH-BRJLIKDPSA-N 474.300 5.010 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(Cl)s3)o2)cc1 107886035 PLFSEJDKDUFYTG-MXAYSNPKSA-N 453.951 5.745 50 40 JKGB Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cccc(Br)c1)[C@H](C)CC(C)(C)N2C 208231790 XYSUQWNZPQEQET-LTKMBJGESA-N 452.396 6.025 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N\NC(=O)COc3cccc(Br)c3)cc21 223505876 UMKFOHROSBINPL-VYYCAZPPSA-N 484.438 5.697 50 40 JKGB Cc1cc2c(cc1/C=N\NC(=O)c1cc3cc(Br)ccc3o1)[C@H](C)CC(C)(C)N2C(C)C 223612049 SMWYZWDNXJCCLN-RYPKJOHWSA-N 496.449 6.768 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccc(F)cc3)Nc3ccc(Cl)cc3[C@@H]2[C@H]1Cl 245232643 ZFEGTITZQRQEDZ-DHMZULSFSA-N 489.399 7.426 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3cccc4ccccc34)c3ccccc32)c1 408542568 MFQABOSGPJFCFH-OCSSWDANSA-N 461.521 5.393 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccccc1 408544466 WFNSLGPXGYPBOC-JAIQZWGSSA-N 476.916 5.562 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccc(F)cc1 408570479 VRNXRBXWDLEKCU-MFOYZWKCSA-N 465.887 6.536 50 40 JKGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2cccc3ccccc23)c1C 408591942 WOYRRZFWUFWUHK-RDRPBHBLSA-N 453.542 5.117 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4c(Cl)cccc4Cl)c3)CC2=O)cc1C 408612805 YUGXHEHFNKEPAE-SFHVURJKSA-N 498.410 5.685 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1cccc(F)c1 408676115 FLXHNTZTILAVBX-OCSSWDANSA-N 495.982 5.821 50 40 JKGB CCN(CC)c1cc(OC)c(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1Br 408722554 KKEISHDYVNMUAC-FOKLQQMPSA-N 473.198 5.375 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 408793793 GRMRNZWBAJXUNF-LICLKQGHSA-N 468.296 6.026 50 40 JKGB C[C@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1 408802102 CZXWTIMJVZJVOZ-CQHJRZBDSA-N 459.933 5.142 50 40 JKGB N#C/C(=C\c1c(OCc2cccc(Cl)c2)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 408802169 XJPYPIMVHQQSEX-HMMYKYKNSA-N 473.359 7.271 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OC(C)C 408835075 WUKOTOXJHIHDFA-LPYMAVHISA-N 490.987 6.569 50 40 JKGB O=C(N/N=C/c1ccc(O)cc1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 408845161 PEFQGDZKFLFLTM-RPPGKUMJSA-N 484.364 5.930 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1Cc1cccc(F)c1 408868790 OUHKSFKFWAXPQH-SRZZPIQSSA-N 462.952 6.631 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OC(=O)c1ccc(C)cc1 408879516 GORWGNCCSOLQCR-KGENOOAVSA-N 474.944 6.120 50 40 JKGB N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccc(F)cc1 408881573 NFAACXGBQAENKG-WOJGMQOQSA-N 453.286 5.864 50 40 JKGB Cc1cc(C)cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1 408891456 QULFLSKYFTXKDE-YDZHTSKRSA-N 489.413 6.807 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OCc2cccc(F)c2)c1 408896788 STTBFZWGDRCFLD-WOJGMQOQSA-N 470.422 5.978 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1 408901080 ZXOFOTBRURMARP-MUFRIFMGSA-N 474.944 5.853 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1O[C@H](C)CC 408942898 LLMUEMKOYCNUKX-GKBXUSSOSA-N 459.340 5.535 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccc3ncccc3c2)c1C 408967971 WDQQRLXFNVSJPT-MZJWZYIUSA-N 477.362 5.177 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C 409231948 NDLQQFGXQYAHNC-YVLHZVERSA-N 484.434 5.575 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1C#N 409245163 OGUNPOJLTMBXII-OMMIQNFISA-N 471.944 5.584 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409259535 AHWFGBAUVFVIHX-WOJGMQOQSA-N 493.922 5.359 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1OC 409326718 NEOLDSFPZJPFNG-VYYCAZPPSA-N 473.356 5.744 50 40 JKGB CC(C)c1ccc(C(=O)[C@H](Br)[C@@H](Br)c2ccccc2)c(C(C)C)c1 1671995 SZMRSEVTGQLZEF-VQTJNVASSA-N 452.230 7.016 50 40 JKGB Cc1ccc(C(=O)NN(C(=O)NC2CCCCC2)c2nc(-c3ccc(Cl)cc3)cs2)cc1 3768083 HFZXVGYGMXZQES-UHFFFAOYSA-N 469.010 5.966 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1 9311320 CGWHZKXRQGROFU-UDWIEESQSA-N 491.341 5.580 50 40 JKGB O=C1Oc2ccc([N+](=O)[O-])cc2[C@H]2c3sc(=O)n(-c4ccccc4)c3S[C@@H](c3ccccc3)[C@H]12 9427792 INXHNHDHJSVIEL-NJYVYQBISA-N 488.546 5.321 50 40 JKGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(Cl)c(Cl)c1 12560658 NHNSHNATKFUGRW-DHRITJCHSA-N 496.803 5.602 50 40 JKGB CC(C)(C)c1ccc(OCc2ccc(C(=O)NN=C3CCC(c4ccccc4)CC3)cc2)cc1 12564764 XPAUWGGSEHWDGN-UHFFFAOYSA-N 454.614 7.007 50 40 JKGB C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1 12629505 KPTYKRJRYLRSRU-GZZLJNBRSA-N 491.591 5.996 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 33668791 ILSVYZCLLURTPI-ZDLGFXPLSA-N 480.879 5.268 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)o1 33714509 KBGFMDJLNKYMDH-SSDVNMTOSA-N 450.432 5.050 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)ccc1OCc1c(C)cc(C)cc1C 35225779 CKIBCFYQRVAMDE-MUFRIFMGSA-N 476.573 5.371 50 40 JKGB COc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(F)cc2)N3)cc1OC 58917513 ANFBFEIJQYEYFZ-OZGCCQIPSA-N 485.559 5.823 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1F 59117158 WQORORHDBHOMBN-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 59536720 MZGFTAHOTNCBHZ-VULFUBBASA-N 487.781 5.844 50 40 JKGB Cc1nn(-c2ccccc2)c(C)c1[P@@](=Nc1ccc(F)cc1)(c1ccccc1)N1CCCC1 102140137 MCHFHWSCHCHUCK-MGBGTMOVSA-N 458.521 6.123 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C34C[C@H]5C[C@@H](CC(c6ccccc6)(C5)C3)C4)cc2)cc1 108228763 HPSZZOQVGQTYCK-UGNBBTABSA-N 488.631 7.030 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)cc(C)c1O 109390862 BNNJMHOYRLBJKC-ODCIPOBUSA-N 466.129 5.044 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc21 223503879 GCMCDTOBVRVNKV-UZWMFBFFSA-N 481.640 5.792 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 408537390 DKCVQODZFNPUHQ-DEDYPNTBSA-N 485.422 6.579 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(F)cc2)c(C#N)c1C 408545973 AXSGTBMZZJJHLO-UDWIEESQSA-N 488.540 5.542 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)c1ccc(Cl)cc1 408581436 WQVZZGPIBLNXAX-WOJGMQOQSA-N 459.170 7.399 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccccc1Cl 408799578 ZUNQSLKKYQIFEQ-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 408802222 YNDGOAZZVOTKDR-LICLKQGHSA-N 468.296 6.026 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OCc2cccc3ccccc23)c1 408807787 OTHQICAIEXUWSX-PCLIKHOPSA-N 462.549 6.590 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc(Cl)c1 408819175 YKOMRMJNDWSVBP-RGVLZGJSSA-N 481.379 6.825 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1Cc1ccccc1F 408873213 OQHBKPZAZJWPHD-WOJGMQOQSA-N 469.343 6.668 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)cc2OC)cc1 408890275 QRYLQHLJGXFVPY-CPNJWEJPSA-N 476.916 5.431 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)ccc1Br 408907363 MLERTECFEIWYAW-ROTLSHHCSA-N 483.366 5.327 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1 408938434 QOGMVHDQPCWTDB-WQRHYEAKSA-N 467.403 5.738 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OC(C)C)cc3Br)cc2c1 409187009 KTMZXERCRSACMU-MSXFZWOLSA-N 475.339 5.154 50 40 JKGB COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1OC 409324643 VHFVTQUQIACTPE-WKIKZPBSSA-N 473.356 5.662 50 40 JKGB CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 1905997 PURPGEXSURNSFE-XMHGGMMESA-N 451.979 6.112 50 40 JKGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1Cl 2310036 SFCFUTRSZUZGKJ-LEWJYISDSA-N 498.004 5.215 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 2657965 NVKQYBUTBVPHRM-XSFVSMFZSA-N 496.954 5.818 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)n1-c1ccc(Cl)cc1 2805714 VOFABNXXYRQPIK-MHWRWJLKSA-N 478.301 6.965 50 40 JKGB COc1ccccc1/C=N/NC(=O)COc1c(C(C)C)cc(Br)c(C)c1Br 3050478 JPRBRBIDUVRCHF-AUEPDCJTSA-N 498.215 5.181 50 40 JKGB CCn1c(SCC(=O)N/N=C(/C)c2ccccc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 9018935 HURDZBNOANNUJJ-QQXSKIMKSA-N 470.042 5.548 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)cc1 9057325 XPXZFMUZAPWFHI-XQNSMLJCSA-N 463.493 6.181 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccc(F)cc1 9204677 GLJNABKXHLIOGA-JFLMPSFJSA-N 485.353 5.259 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)N(CC)c3ccccc3)c2C)cc1 13095546 QRJLZSRFVJPGAS-DNQXDJSBSA-N 485.584 5.385 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3cccc(C#N)c3)c3ccccc23)cc1 20198120 PQRCOFPKJIUHLX-UXHLAJHPSA-N 450.542 5.422 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)c2cccs2)=C(C#N)[C@@H]1c1ccco1 20348220 QJIIBPCDTUBSBC-OAQYLSRUSA-N 476.579 5.354 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 33401258 JYPFFHQCQCZEPX-GZTJUZNOSA-N 479.895 5.051 50 40 JKGB Cc1ccc(Cn2cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c3ccccc32)cc1 33665402 SSMXJKJYLQKPFQ-MZJWZYIUSA-N 468.538 5.885 50 40 JKGB Cc1ccc(COc2ccc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)cc2I)cc1 33731812 YUJYCGUNQPAUCL-JAIQZWGSSA-N 496.304 6.151 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(F)cc1 35377620 WLBHQZGMQIMFKN-DEDYPNTBSA-N 473.504 5.014 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCc1c(Cl)cccc1Cl 59116913 SIAMNMPOZMJSQQ-LFIBNONCSA-N 487.770 6.780 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cc(Cl)ccc1Cl 59117367 CNQROOWJFPQXLP-LICLKQGHSA-N 457.744 6.771 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 59224826 IURWQFRPMGQUJC-XSFVSMFZSA-N 451.353 6.680 50 40 JKGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cccc(I)c3)cc21 208245673 PHLYPSBTRMRBRJ-ZGUVFNMESA-N 495.792 5.431 50 40 JKGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)COc3cccc(Br)c3)cc21 208466224 YNTBZETWYNVWEO-ROTLSHHCSA-N 476.802 5.263 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc21 223503692 HRIVQGUPDTWNJV-VULFUBBASA-N 466.607 5.556 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 408581539 ITWSXBQGERJIKE-XDHOZWIPSA-N 454.751 6.754 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3cccc(C)c3)n2)cc1OC 408724028 CPBFLUUXXQKDNX-ZCTHSVRISA-N 490.563 5.782 50 40 JKGB O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(-c2ccc(F)cc2)o1 408843197 QVUQCZBJZDXVNQ-KVSWJAHQSA-N 488.466 5.997 50 40 JKGB Cc1ccccc1-n1c(C)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1C 408848439 YZSJCRQZTLZLFA-HWIUFGAZSA-N 486.619 6.933 50 40 JKGB Cc1ccc(COc2ccc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)cc2)cc1 408850562 CAHHGBKBVFZSDS-VQNDASPWSA-N 499.614 7.104 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)NC1CCCCC1 408855315 CGQMHQUCVDTLPN-UNOMPAQXSA-N 483.362 5.082 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(OC)cc1 408884597 ZUNRKLUGUODUTK-XMHGGMMESA-N 476.916 5.512 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC(=O)c1cccc(F)c1 408889532 DTZZINDVHJSGFP-CXUHLZMHSA-N 495.850 5.161 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 408890734 YIUYBDMBDQKKSL-LFIBNONCSA-N 498.322 6.035 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)c1ccccc1 408980319 QNJDXSRKWCABAA-PVPASAESSA-N 466.969 5.075 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 408981354 AVYAEYAIYUKAMM-RPPGKUMJSA-N 486.380 5.956 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1nc2ccccc2o1 409049906 YOXBYIVWTQUYKL-CXUHLZMHSA-N 455.728 7.431 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc2ccccc2c1 409139506 BDAGVBUUKCDCMY-MHZLTWQESA-N 466.537 5.632 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 409221636 UBXWOYHBOQEPBA-GDNBJRDFSA-N 454.364 5.347 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(C(C)(C)C)cc3)o2)cc1Br 409251087 OGGYZVYWROUSKK-CVKSISIWSA-N 453.380 6.008 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409253724 BWFSZZRONQPKHU-FYJGNVAPSA-N 457.486 5.302 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)c1 409259958 IJFSGLSCMLOVBA-ODLFYWEKSA-N 494.378 6.173 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(C)cc2)cc1 935058 ZQVIIXFXQRKCMZ-NLTRVXJZSA-N 498.564 5.277 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 1454101 ODKBEXHOINTLJS-GZTJUZNOSA-N 463.921 6.332 50 40 JKGB Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)N/N=C/c3ccccc3C)n2-c2ccccc2)cc1 2097435 YJKKSTDMKUWLGJ-YJLDXCOUSA-N 484.629 5.127 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1sc2c(c1C#N)CCCC2 2168759 QMVQFBGABPHCSO-AMVVHIIESA-N 484.547 5.618 50 40 JKGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1c(F)cccc1Cl 2321683 TYSYXUSWGIWJFD-GZIVZEMBSA-N 487.434 5.519 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)nnc2-c2ccncc2)cc1 2698455 ZDVSYBQDDJDJQF-LQKURTRISA-N 470.602 5.004 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 6389485 ZLUCMTDTZZMEHS-UYRXBGFRSA-N 464.363 5.801 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1ccccc1Cl 8817429 ZTELUCREAROJEU-UUYOSTAYSA-N 483.471 5.770 50 40 JKGB Cc1ccccc1Cn1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc21 9203304 OWNBYQGROWNRCD-JFLMPSFJSA-N 460.375 5.453 50 40 JKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c1C 9203621 UPHPMSYLLYKKBK-DHRITJCHSA-N 458.787 5.511 50 40 JKGB CCOc1ccccc1N1CSC2=C(C#N)[C@H](c3c(Cl)cccc3Cl)CC(=O)N2C1 9693596 RJPHDFBWLORISN-CQSZACIVSA-N 460.386 5.612 50 40 JKGB Cc1nn(C)c(Cl)c1/C=N/NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 24975689 MHEDTDPMCZEGDL-FOKLQQMPSA-N 455.996 5.048 50 40 JKGB Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1 28216237 RFEDRZKCYBKBKC-WYMPLXKRSA-N 476.827 5.752 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 59536598 RIMIHINHILHGTI-LDADJPATSA-N 481.321 5.721 50 40 JKGB Cc1ccc(NCC(=O)N/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1C 59678732 NCHQSJXVEUTGDZ-OPEKNORGSA-N 492.826 6.026 50 40 JKGB CC(=O)Nc1cccc(C(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1 108162354 ZAXFWVMDTKBIRS-CFRMEGHHSA-N 468.922 5.122 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(I)c(OCc3ccccc3)c(OC)c2)cc1 408582722 POLMOUBXYBPXRD-UDWIEESQSA-N 497.332 5.952 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Br)cc1 408725948 NKWKMGLFZWJTJI-BKUYFWCQSA-N 491.385 6.199 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)OC)ccc3Cl)c2C)cc1 408742778 CANINWXPBKZMOE-MOSHPQCFSA-N 477.948 5.479 50 40 JKGB CN(C)c1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 408784290 QCSXSYIBBUWMKM-XLNRJJMWSA-N 481.983 6.684 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccccc1C#N 408791674 APGHJYXRGRBLMB-FSJBWODESA-N 485.971 6.352 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccccc1Cl 408793162 DHOZEOBGQBLASY-YBFXNURJSA-N 492.760 6.099 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OCc1ccccc1 408801178 RZDCLYWKNRKBCY-DEDYPNTBSA-N 462.933 5.872 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(OCc2ccc(C)cc2)c1 408805771 LLKASHIXSVDWDA-DEDYPNTBSA-N 477.358 5.891 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1ccc(Br)cc1 408818600 XLSHQDFJJHKVFS-PXLXIMEGSA-N 491.385 5.303 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc3c(c2)OCO3)cc1)c1cc2cc(Br)ccc2o1 408853613 QIYQAKOFRIFUKM-ZRGSRPPYSA-N 493.313 5.267 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1Cc1ccccc1Cl 408869223 PUPYSZNOZKEGNT-FYJGNVAPSA-N 465.380 6.837 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 408888723 ZPRQBISMOMUCIA-MZJWZYIUSA-N 452.938 5.317 50 40 JKGB CC[C@@H](C)Oc1c(Br)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 408947895 DMFVJNNYGUXCGI-VXIUPONVSA-N 496.405 5.382 50 40 JKGB CC(C)COc1c(Br)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Br 409057064 ORHSYSQPBWWRHT-VIZOYTHASA-N 480.156 6.219 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1F 409144000 NSNBQUMAELPERZ-QFIPXVFZSA-N 468.912 5.272 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccccc1 409187639 STJCERMLFLLLKC-ZMOGYAJESA-N 488.179 5.555 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccc(Cl)cc1 409223098 GJIAVBCZDHPSAI-CPNJWEJPSA-N 475.932 5.220 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1cccc(C)c1 409252232 WVKBYIQCJMYJJO-MBTHVWNTSA-N 499.380 5.567 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 409271756 MSNZVMHTYJOQBT-MOSHPQCFSA-N 489.959 5.529 50 40 JKGB N#CC1=C(SCc2ccc(Br)cc2)NC(=O)C[C@H]1c1cccc(Br)c1 409323329 NFUPDQIAWFSTCE-INIZCTEOSA-N 478.209 5.484 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 409394294 YDVRVBWXWLIFAT-OYKKKHCWSA-N 457.501 6.294 50 40 JKGB N#CC1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)s1 1436474 AVRSFRVFLKUSFL-SFHVURJKSA-N 494.336 5.834 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cn(CCC#N)c3ccccc23)sc2c1CC[C@H](C)C2 1803657 LQBRVHKIPCXOEJ-AATZCTEQSA-N 486.597 5.464 50 40 JKGB Cn1nc(C(F)(F)F)c(/C=N/OC(=O)C(Cl)Cl)c1SCc1ccccc1Cl 3052475 RKJBHDUPVYTCKE-GEVRCRHISA-N 460.692 5.065 50 40 JKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1NS(=O)(=O)c1cccs1 6147274 PDYHQYUWAITPEU-WPWMEQJKSA-N 485.590 5.619 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1nn(Cc2ccc(Cl)cc2)cc1Br 8780799 NLSIIBBQXASNMZ-LIMNOBDPSA-N 486.584 5.418 50 40 JKGB N#C/C(=C\c1cccc(Oc2ccccc2)c1)c1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 15227855 RSVBRBVCEUFLFW-XDJHFCHBSA-N 495.585 7.573 50 40 JKGB CC1=C(/C=C/[C@H](C)/C=N/NC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)C(C)(C)CCC1 18192172 CVFWIKZCLRWJCE-SXKGPCGLSA-N 474.048 7.923 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 20764834 DXFFNIOTJJPTSY-RWPZCVJISA-N 470.928 5.619 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1ccccc1Br 26123338 CTSDOMCEJKVFML-JVWAILMASA-N 459.343 5.945 50 40 JKGB CCc1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1 27345613 YVHLFNBCVCXPEO-XIEYBQDHSA-N 498.579 5.246 50 40 JKGB COc1ccc(/C=N\NC(=O)c2sc3ccccc3c2Cl)cc1COc1ccc([N+](=O)[O-])cc1 28632617 IQZWXCDEVRGIRT-ZMFRSBBQSA-N 495.944 5.814 50 40 JKGB O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C\c1ccc(OCc2ccccc2)cc1 32559970 YOHVXYMHZLBTPX-COEJQBHMSA-N 451.570 5.640 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(C)cc1 33525912 NUNRLKVMZXZRET-NHDPSOOVSA-N 493.357 6.708 50 40 JKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 96398841 NIRIFEZYRBDORS-ZHZULCJRSA-N 498.970 6.064 50 40 JKGB COc1cc([C@H]2C(C#N)=C(SCc3ccccc3Cl)NC3=C2C(=O)CCC3)cc(OC)c1OC 100863105 BWGWFFYKNKWXKT-QHCPKHFHSA-N 497.016 5.728 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(C)cc1 408541133 DWUCLUKUXRUDHX-XKZIYDEJSA-N 456.498 5.217 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccccc1C#N 408568604 KPQGPMRFOIHAEI-LSCVHKIXSA-N 458.880 5.879 50 40 JKGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408760569 AYQFESXSGATDOM-RGEXLXHISA-N 489.325 5.417 50 40 JKGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Br 408763758 JXWIMQQFFAXFSS-QPEQYQDCSA-N 494.570 5.423 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC)c(Br)c2)cc1 408787623 CUMSESIARPPCIU-RIYZIHGNSA-N 464.157 5.328 50 40 JKGB N#C/C(=C\c1cn(Cc2cccc(F)c2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 408788400 CTCMYZSAWYKOGG-GZTJUZNOSA-N 464.327 6.681 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1c(C)cc(C)cc1C 408811036 NGZOKLAVPMJVMY-LRULAXNGSA-N 468.597 6.374 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(F)c2)c(Br)cc1OCc1ccccc1 408852350 SQMJUJDTWIRTME-VULFUBBASA-N 471.326 5.330 50 40 JKGB CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 408876358 ORZYEZYSZRFRCH-AWNIVKPZSA-N 486.231 5.254 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OCc2cc(C)cc(C)c2)c1 408887351 PXLCDNKZWUFMFD-CIAFOILYSA-N 457.486 5.345 50 40 JKGB CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)Nc2ccc(Br)cc2)c1C 408959850 GWJCNURWNDWDEF-QFEZKATASA-N 453.384 5.883 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409041608 KCKUBYBWTAFXMZ-YBFXNURJSA-N 477.904 5.647 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(C(=O)O)cc1 409064509 CZKVOEJBOGJVPC-DEDYPNTBSA-N 460.461 5.047 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OC)c1OCc1cccc(F)c1 409070135 NBBRVEIUQQNMAR-ZVHZXABRSA-N 456.517 5.365 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(Cl)c1 409070373 YXILXUDQOPWEGK-FOWTUZBSSA-N 473.337 5.307 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409083615 VMPBTTFRAPOGBB-XNTDXEJSSA-N 499.401 5.666 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4sc(C)c(C)c4C#N)c3C)cc2c1 409186858 ITHMINCNRMWMKV-WKIKZPBSSA-N 460.559 5.553 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 409211212 LEVIGQXYIPPIIS-DHRITJCHSA-N 485.949 5.078 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 409245780 ZBHNFZGCHSQFQC-BYINCCNUSA-N 464.924 5.851 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2)c(C)c1 409259432 ZCKCKDIXZSQPFL-MOSHPQCFSA-N 459.933 5.520 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 409265061 SDAAECRZNFVAPX-GZTJUZNOSA-N 468.296 5.983 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1Cl 409323826 PUNHULMHAJVEBG-HMAPJEAMSA-N 474.387 8.188 50 40 JKGB N#CC1=C(N2CCCCC2)N=P(c2ccccc2)(c2ccccc2)N=C1C(Cl)(Cl)Cl 8386653 MWAOVPDMUGNGIG-UHFFFAOYSA-N 477.763 5.799 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1OCc1ccccc1Cl 9296211 AIABNVWRJDVDDW-MHZLTWQESA-N 482.967 6.689 50 40 JKGB CC(C)Oc1ccc(CN(CC[C@H](c2ccccc2)c2ccc(OC(C)C)cc2)C(=O)CCl)cc1 13541175 PQBJVQIGJQEGAF-GDLZYMKVSA-N 494.075 7.051 50 40 JKGB biogenic O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 13943625 LEUNFKCXZFBFPM-JVWAILMASA-N 475.342 5.905 50 40 JKGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCc2ccccc2)NC(C)=C1C(=O)Nc1ccccc1 19879984 DCKWFYRVVSLHHA-HHHXNRCGSA-N 481.621 6.353 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cccn1Cc1ccc(Cl)cc1Cl 20258739 WZXWDBIYJFAOMI-OQLLNIDSSA-N 460.748 6.051 50 40 JKGB COCCn1c(C)cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1C 34761256 OXAGGOGQGFHCRD-RHANQZHGSA-N 488.588 5.095 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 58900701 PXLAYDMEHGSPNP-BRJLIKDPSA-N 491.172 5.772 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1C#N 59336043 SKJAIZVXXUUJRX-NDENLUEZSA-N 492.362 6.388 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 59921376 OZXIJUUBPOHFEZ-DHRITJCHSA-N 481.986 5.411 50 40 JKGB Cc1cc2nc(/C(C#N)=C\c3cc(Br)ccc3OCc3ccccc3F)[nH]c2cc1C 408542792 KWVQFHNCPJCWBT-ODLFYWEKSA-N 476.349 6.725 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408566171 DWHGNMLRSUPHMB-UWVJOHFNSA-N 469.755 7.170 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408580276 NUAOMTRMAUOBHX-GZTJUZNOSA-N 465.849 6.412 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1cccc2ccccc12 408742557 ASYHKQXDVLZQAR-UCQKPKSFSA-N 482.967 6.935 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2F)c(Br)c1 408743501 GECAULAWTJDSBR-UNOMPAQXSA-N 465.322 6.021 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c1 408745825 VURQFLFAWVGPLZ-NVMNQCDNSA-N 482.323 6.335 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1)C(=O)Nc1cccc(Br)c1 408754956 SVQFYZSNDIYCBU-WQLSENKSSA-N 483.234 5.071 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Br)cc2)cc1 408762826 CBNCMPYAYLTXDO-XMHGGMMESA-N 490.357 5.321 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OCc2ccc(Cl)cc2)c1 408795288 BUVADRWPEMWBCY-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC 408818512 VTUBMHGLDNOMCK-RIYZIHGNSA-N 453.753 6.380 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2F)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 408891999 WZQMGKMQZYDOOH-CPNJWEJPSA-N 491.349 7.410 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(=O)Nc1cc(Cl)ccc1Cl 408893582 HAXDVAXXGRYZTL-CXUHLZMHSA-N 479.279 6.111 50 40 JKGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 408922151 DMXPOLCPPMOWNZ-LTGZKZEYSA-N 496.950 6.404 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cccc(F)c1 408962381 HXAYXKBRYCYDPD-XKJRVUDJSA-N 480.845 5.849 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1 408984057 PNKDPKUZAAWDMY-UDWIEESQSA-N 481.379 6.825 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccccc4s3)o2)cc1Cl 408987177 ARDGQZLSEOSDBT-GXDHUFHOSA-N 451.960 6.548 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409008565 XYTOOKBTACLAII-JCMHNJIXSA-N 469.541 5.265 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 409045082 FJMAMGJJHJKNRW-LICLKQGHSA-N 489.336 6.042 50 40 JKGB N#C/C(=C/c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1ccccc1Cl 409064779 FMFZHPNPCCNHCN-VBKFSLOCSA-N 473.337 5.307 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1ccc(Cl)cc1 409139005 KZVKJOQBHNTANQ-QFIPXVFZSA-N 485.367 5.786 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)cc2c1 409188786 GHAVNMBMFHIQGG-BRJLIKDPSA-N 452.850 5.207 50 40 JKGB CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3OC)o2)ccc1Cl 409217046 NNAXIFMLBAFCTC-FOWTUZBSSA-N 450.878 5.331 50 40 JKGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 409227820 RKTOCOPNDFNYTB-ZSOIEALJSA-N 481.268 5.587 50 40 JKGB N#C/C(=C/c1cccn1-c1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 409246740 AVIHJUCJTIJVLD-KAMYIIQDSA-N 460.253 5.804 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4)cc3)CC2=O)cc1C 409261739 ASSQZIZVPTYZBJ-RUEQZMELSA-N 475.976 5.039 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2Cl)NC(=O)C[C@@H]1c1ccc(Cl)cc1 409322239 IPCGDQVWLDDWEY-CQSZACIVSA-N 466.777 5.357 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(OCC)c2)cc1OC 409325355 YAJGTBICPDPBDS-RHANQZHGSA-N 478.520 5.141 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)ccc1OCc1ccc(Br)cc1 409381957 JCORCNZUELAGMX-NDENLUEZSA-N 480.362 5.132 50 40 JKGB Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(-c4cccc(Cl)c4)o3)s2)cc1Cl 1454157 BZHWBIALVCUXJE-LDADJPATSA-N 494.403 7.155 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3F)n2-c2ccc(Cl)cc2)cc1 1804802 AXFBTEOJLAWOEG-MZJWZYIUSA-N 479.968 5.278 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(O)(c1ccccc1)c1ccccc1 3144654 ICLNCXAUYZQJHC-LQKURTRISA-N 465.336 5.640 50 40 JKGB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCc2ccccc2Cl)N1 12250345 OXYKQGVJGLSZMK-DEOSSOPVSA-N 492.069 6.978 50 40 JKGB C/C(=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 13523594 KHCHAXDQQVFVSS-NDZAJKAJSA-N 499.954 6.648 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)c(C)c1 20194995 BXFOXZNPOYLXGN-OCSSWDANSA-N 456.973 6.382 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c(C)c1 32116838 NOENVQPMHJQBDM-PDGQHHTCSA-N 463.946 6.562 50 40 JKGB CC1(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)SCCS1 34705902 KSYGRNJOCWMZEV-BRJLIKDPSA-N 478.470 6.033 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Cl)c1 59248707 JNFZECHMYDWTDY-WQLSENKSSA-N 494.197 7.046 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(F)cc1 59296960 JZJGRJSUSKOYML-WQRHYEAKSA-N 499.767 6.675 50 40 JKGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(OCc2cccc3ccccc23)c1 59435243 CFSBQWZQEHZAQT-LQKURTRISA-N 466.566 5.538 50 40 JKGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 83301804 MJYFQJHPDLTUOK-ISAGNRBTSA-N 466.965 5.282 50 40 JKGB N#C/C(=C/c1ccc(OCC(N)=O)cc1)c1nc(-c2cccs2)c(NC(=O)c2cccs2)s1 97427045 CYQUZEQGCOZVDL-PTNGSMBKSA-N 492.607 5.114 50 40 JKGB Cc1ccc(N/C(SCC(=O)N(C)C2CCCCC2)=C(/C#N)c2nc3ccccc3s2)c(C)c1 102135372 PNMQYCPQNXQNLZ-YYADALCUSA-N 490.698 6.742 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Cl)c3Cl)C3=C(O)CCCC3=N2)cc1 104083447 IYLVVFIQDHQXOV-JOCHJYFZSA-N 498.435 6.943 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccc(Cl)cc1 408580619 PZORLJVWMNMOQX-DEDYPNTBSA-N 464.779 8.443 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2Br)o1)c1ccc(N2CCCC2)cc1 408677936 WCSFRYDAVAJLHH-AFUMVMLFSA-N 456.315 5.212 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1c(Cl)cccc1Cl 408777869 KSRGRVLKXLAIFX-MOSHPQCFSA-N 495.406 7.134 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c1C 408778205 QXXOMFPQTPCCGA-BKUYFWCQSA-N 458.518 5.644 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 408790096 NOGKLCDAFGGJGP-LDADJPATSA-N 456.889 5.797 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408797068 QXDHNAGLWJEIPX-UDWIEESQSA-N 476.916 5.562 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1 408825500 KCHCYIDCPZTLOA-LTGZKZEYSA-N 491.385 6.363 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1F 408843787 FVKFWUGYUUTICZ-WKIKZPBSSA-N 497.320 5.686 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2)cc1Cl 408993740 XHZCNDGLKRHNGE-ODLFYWEKSA-N 481.777 6.536 50 40 JKGB O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cc(-c2ccccc2)nc2ccccc12 409036723 LTXOALLJJMGQEQ-MWLSYYOVSA-N 496.910 6.487 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1 409224974 OOIHMRNVBGRGKF-CPNJWEJPSA-N 475.932 5.220 50 40 JKGB Cc1ccc(Sc2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2)cc1 409243052 UXPKITPPZYTYFS-QFEZKATASA-N 465.372 6.419 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C 409266792 YKPLJRGERJAGHW-MBTHVWNTSA-N 479.964 5.137 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)cc2)cc1OCC 409310570 AYOQTXKDUIOFCX-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)cc1OC 1779515 MRDRWFMXHVBTHY-GMYFBSLISA-N 495.645 5.485 50 40 JKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)cc3C(=O)c3ccccc3)n2)cc1 1840767 AGOUWESDRLZTEB-HAVVHWLPSA-N 498.051 7.870 50 40 JKGB CCCCCCCOc1ccc(/C=N/NC(=O)c2cccc(NC(=O)Cc3ccccc3)c2)cc1 8385973 YGGDDZABOODPSQ-JBASAIQMSA-N 471.601 5.981 50 40 JKGB Cc1ccc(-c2n[nH]c3c2[C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(C#N)=C(N)O3)c(C)c1 8410502 OPHCPAAXKFHGOV-JOCHJYFZSA-N 470.617 6.212 50 40 JKGB COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)cc1 13174295 OQRLHBDWMAUQRH-HSZRJFAPSA-N 479.989 5.150 50 40 JKGB C=CCc1ccc(OCCOc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(OC)c1 13942288 IKVCCVQSRRHJFB-LYBHJNIJSA-N 468.553 5.736 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1OCC 19202529 ACUUJAUPNBLLGM-YDZHTSKRSA-N 465.413 5.020 50 40 JKGB O=C(N/N=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12)c1ccccc1Br 20761079 WKCDRAHCZYIBAR-LGJNPRDNSA-N 466.766 5.869 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)cc1 34746277 OMPAXCFZHOQLPU-GRSHGNNSSA-N 469.324 6.943 50 40 JKGB CC(C)(C)[C@H]1CC=C2[C@@H](C1)[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)C2(C#N)C#N 36046360 KPMDRDWXBMRHGE-XBHMSOGKSA-N 453.359 5.454 50 40 JKGB C=C(C)CSC1=C(C#N)[C@H](c2ccccc2Cl)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 40487562 CPOUODXMDAHBPD-WFXMLNOXSA-N 498.979 5.883 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 40889217 BIGRTIFEGONBOH-ATVHPVEESA-N 453.325 6.127 50 40 JKGB O=C(Cl)Cc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1Cl 41127466 WSQLQPJFPVINGK-UHFFFAOYSA-N 461.142 6.886 50 40 JKGB COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C 107771367 GQDLTGYZLKMHGH-MOSHPQCFSA-N 489.959 5.529 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccc(C)cc1 108246922 BEHYJHRAYHLNRA-WGARJPEWSA-N 498.420 7.953 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc(Br)cc1 408526655 CWTGMIUCJYQAGU-RCCKNPSSSA-N 474.785 7.899 50 40 JKGB CCOC(=O)c1cc(-c2ccc(/C=C(/C#N)c3ccc(Br)cc3)o2)ccc1Cl 408530428 LSKLGVORJDSRLR-WJDWOHSUSA-N 456.723 6.603 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 408534737 WQBHDMBMVHWNLH-RWPZCVJISA-N 451.954 5.188 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1Cl 408538162 JWVVDGWNDIGIMG-STZFKDTASA-N 473.444 7.895 50 40 JKGB CC[C@@H](C)Oc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 408552964 MDYIALOERPFWIH-BRYYZUPOSA-N 469.994 5.884 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c1C 408589959 NQXXGRQPNVIMEX-LQKURTRISA-N 451.998 5.746 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c(Cl)c1 408741519 QFTFCLMZFCFWSS-RWPZCVJISA-N 489.963 5.827 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12 408754965 SWEIDUVJDBKLEX-FCDQGJHFSA-N 498.538 6.766 50 40 JKGB N#C/C(=C\c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1cccc2ccccc12 408754991 PKIQPUOSGLSZNG-HMMYKYKNSA-N 499.504 5.061 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc2ccccc2c1 408792097 HUSFDZXYJFECFI-OEAKJJBVSA-N 468.940 6.626 50 40 JKGB Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)[nH]c2cc1C 408815561 JTKDQHMFYOYHNS-NDENLUEZSA-N 451.599 6.463 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OCc2ccc(Cl)cc2Cl)c1 408819501 XMYCHCHVNQDEOO-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c(C)n1-c1ccc(F)c(Cl)c1 408820053 UUAWEIALDVNXGR-YUUAZRQBSA-N 458.928 5.094 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2C)sc(C)c1C 408843199 CPWOBBRSACPSJZ-BKUYFWCQSA-N 461.587 5.803 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2Cl)cc1Cl 408864846 AJETWADRKLGQLZ-YBFXNURJSA-N 455.772 7.092 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1cccc(Cl)c1 408887806 RBDKMLYZJSETPQ-YBFXNURJSA-N 477.904 5.690 50 40 JKGB CCOc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C 408946042 ORJROELSRXVFRL-MXAYSNPKSA-N 454.914 5.000 50 40 JKGB Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1 408978237 LXJVEYDGFYPCTM-FYJGNVAPSA-N 465.944 5.931 50 40 JKGB Cc1ccc(C(=O)Nc2ccc3nc(Sc4ccc(C=C(C#N)C#N)cc4[N+](=O)[O-])sc3c2)cc1 408993547 WCCZCJIUEVHFGX-UHFFFAOYSA-N 497.561 6.347 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)cc1O 409038604 POMAXVIRZIKFBL-DICXZTSXSA-N 490.357 5.533 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1OCc1cccc(Cl)c1 409066338 ACTFPWKLXFZMSM-FYJGNVAPSA-N 493.390 6.855 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)cc2c1 409187048 LJJJSIZGAONUCR-YSMPRRRNSA-N 459.458 5.083 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 409224564 IHHMJDFOPPAGGX-XODNFHPESA-N 470.331 5.665 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)cc2)cc1OC 409320404 DBNHMSHZNYZQLW-YUMHPJSZSA-N 450.922 5.256 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1C 409374685 WPTXUTQDJGXREF-ZHZULCJRSA-N 452.514 5.352 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1cccc(F)c1 409392117 LEYGXXLTDCYRBL-IUXPMGMMSA-N 477.160 7.538 50 40 JKGB CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1OC 1782622 GJMOBPHFLGAWKF-AKBIMGJMSA-N 497.389 5.441 50 40 JKGB O=C(c1cc(F)ccc1OCc1ccccc1)[C@H](Br)Cc1ccc(C(F)(F)F)cc1 2565113 PKSUPQVRZCWNQP-HXUWFJFHSA-N 481.283 6.612 50 40 JKGB C[C@H]1c2c(-c3ccccc3)oc(-c3ccccc3)c2[C@@H](C)[C@H](Br)[C@@H]1Br 5160046 BGSVBYYZBVGWBJ-GOFCXKROSA-N 460.209 7.361 50 40 JKGB N#C/C(=C\Nc1ccccc1OC(F)(F)[C@H](F)Cl)c1nc(-c2ccc(F)cc2)cs1 9057817 LPXRQGBWEJOPLU-QHSLDKKCSA-N 453.848 6.432 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cc(Cl)cc(Cl)c1)C(N)=C(C#N)[C@]21C(=O)Nc2ccccc21 12402273 XAOQHKGDPWPARS-VWLOTQADSA-N 479.367 5.041 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2O)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 14134752 KXPSSQIPPJPMPP-JVWAILMASA-N 454.486 5.139 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Br 14151772 UOZITPZCODYVCI-NTEUORMPSA-N 456.365 5.205 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(C)cc1 16292458 XUXJPAPEOCYCMO-BUVRLJJBSA-N 465.553 5.330 50 40 JKGB Cc1cc(C(=O)Oc2ccc(/C=N\NC(=O)[C@@H]3C[C@H]3c3ccc(C(C)(C)C)cc3)cc2)ccc1[N+](=O)[O-] 30738598 ZJLJIUJLFZGTMJ-HCOVDNQSSA-N 499.567 5.674 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)O)o1 33386257 GGQIGTDMJOHTCM-ZSOIEALJSA-N 487.295 5.418 50 40 JKGB CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1 34910940 UKEIDMLIPSOFED-OKCVXOCRSA-N 454.496 5.294 50 40 JKGB COc1ccccc1C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 35128747 QNIRHHMNEVOBLL-UVHMKAGCSA-N 452.341 5.769 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OCC)c1OCc1ccc(C(=O)O)cc1 108240879 OTUHLQFSLCYYJG-HAHDFKILSA-N 457.501 6.294 50 40 JKGB Cc1cc2c(cc1/C=N/NC(=O)COc1ccc(Br)cc1)[C@@H](C)CC(C)(C)N2C(C)C 223592098 IFQGYJZZGLAUBA-JYSLEBDSSA-N 486.454 5.787 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=C(/C#N)c3cccc(C(F)(F)F)c3)c3ccccc32)c1 408543327 OVMKOEJENVQAQB-BKUYFWCQSA-N 460.455 6.559 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1OC 408580339 OPAXTWQYXCVMMZ-GIJQJNRQSA-N 474.771 7.307 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 408793612 FWYYDQAJWJBEHG-LPYMAVHISA-N 486.369 6.008 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)c1 408794559 JOMJRMPOHLSASO-CIAFOILYSA-N 460.917 5.780 50 40 JKGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl 408797445 ROTSUUZADWVTMQ-NTUHNPAUSA-N 453.709 5.134 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(OCc2ccc(F)cc2)c1 408816482 USTURRCJKVQRKE-YBFXNURJSA-N 450.897 5.921 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc(C)c1OCc1ccc(Cl)cc1 408842524 AKRNXJINJWPANO-UDWIEESQSA-N 495.804 6.844 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3ccccc3F)c(OC)c2)cc1 408873588 SMIXFKLVYOCPOM-XDHOZWIPSA-N 464.924 6.023 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1F)c1cccc(C(F)(F)F)c1 408964465 RTHNIULXLFBCQU-KVSWJAHQSA-N 495.270 5.950 50 40 JKGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(C)c(Cl)c3)cc2Br)cc1 409058710 SPCUDRHQLWDHII-LGJNPRDNSA-N 471.782 6.062 50 40 JKGB CCCCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(Br)c3)o2)cc1 409064298 OTENCHZYBZRERQ-MFKUBSTISA-N 469.335 5.430 50 40 JKGB CCOc1ccc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409309380 GJJKABZNLIPCHW-VQTJNVASSA-N 491.396 5.063 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2Cl)ccc1OC 409318641 ZDPWOZLKLNXLFH-VYYCAZPPSA-N 473.356 5.744 50 40 JKGB Cc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c(C)n1-c1ccccc1Br 409392232 OHDPITDKEKGSOL-RDRPBHBLSA-N 486.413 6.139 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1c(OCc2ccccc2)ccc2ccccc12 679129 KICKAMWCEFHYLO-SANMLTNESA-N 450.538 5.870 50 40 JKGB O=C(CCl)Nc1cc(-c2ccccc2)nn1-c1nc(-c2ccc(Br)cc2)cs1 1405152 YFUQLXOXBNDDOT-UHFFFAOYSA-N 473.783 5.603 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)N1 8336902 JPKAVCUIYJFFSW-AREMUKBSSA-N 498.608 5.603 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCCOc1cccc2ccccc12 8860837 VQMFSHUFFMOSRO-NCELDCMTSA-N 492.575 6.550 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1ccncc1 9271923 UVXOOKJIANBFFC-WGOQTCKBSA-N 469.014 5.131 50 40 JKGB CCCCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1Br 12137227 ATYHMVCLRSXNHB-INIZCTEOSA-N 485.378 5.010 50 40 JKGB CCCSc1nc(NNC(=O)c2ccc(OC)cc2)c2c3c(sc2n1)CO[C@@](C)(CC)C3 13770691 UMQUYNOHAHXZRA-QHCPKHFHSA-N 472.636 5.200 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1O 14134760 NFLRJFZVVTWYJI-WYMPLXKRSA-N 459.727 5.151 50 40 JKGB C/C(=N/NC(=O)c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(C(C)(C)C)cc1 14923657 UCUHALSCIXQULX-VEILYXNESA-N 479.418 6.480 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 20198065 GJMPVJKIWAYNRH-UXHLAJHPSA-N 472.972 6.625 50 40 JKGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(OC)c1 27345764 SDLJXLQOJYIKRK-CAPFRKAQSA-N 465.546 5.227 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)cc(OC)c1OC(C)=O 31906019 VLSAMSGCTYAFLO-APSNUPSMSA-N 485.359 5.579 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117456 BAMBXCJERFJWAQ-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc2c(c1)OCO2 59335713 XAPBLQMNGOHYJP-QRVIBDJDSA-N 482.536 5.586 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(Br)c2)cc1 59433626 AVGBLLXAHNCBLI-NTUHNPAUSA-N 450.130 5.025 50 40 JKGB CCN1c2cc(C)c(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2[C@@H](C)CC1(C)C 223574399 UGPNDRPQMDNFGI-FKBXNUFCSA-N 469.629 5.493 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 408569733 PRXUMKSTAOBRNA-JFLMPSFJSA-N 499.057 5.927 50 40 JKGB N#C/C(=C\c1c(OS(=O)(=O)c2ccccc2)ccc2ccccc12)c1ccc(Cl)cc1Cl 408578651 AEYUXIJIYURQFK-NBVRZTHBSA-N 480.372 6.978 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)c(C)n1-c1cc(Cl)ccc1Cl 408587933 HTOPFSRCOZNCQC-YSURURNPSA-N 481.177 5.633 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)c1 408746651 UWPJZQCKXDFPHF-JLPGSUDCSA-N 478.548 6.372 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(Br)cc1 408773033 OWFBEAMJXLQUPG-ATVHPVEESA-N 454.755 6.056 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(O)cc1 408792454 JZFKSZNUBVEYOW-KGENOOAVSA-N 499.364 6.433 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc([N+](=O)[O-])c1 408793513 FOWSWJMKDINKTM-RQZCQDPDSA-N 498.322 6.035 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1ccc(Cl)c(Cl)c1 408807309 GZMUJWKZVIEQRX-JHAUMMSCSA-N 473.400 6.183 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3Cl)ccc3ccccc23)cc1C 408881817 NXGQRUFNBDLNFT-JJIBRWJFSA-N 450.969 7.247 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCc1ccccc1C 408883338 SPWFLKNBHWGWHZ-CVKSISIWSA-N 467.363 5.499 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408887207 MNRIHIPYXOODOT-BRJLIKDPSA-N 474.300 5.253 50 40 JKGB Cc1cc(C)cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1 408889248 BDAYUCTYAFIJHX-UDWIEESQSA-N 479.349 6.330 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1cc2cc(Br)ccc2o1 408944600 MZTCRWWYWGDPPT-MXAYSNPKSA-N 494.301 5.446 50 40 JKGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 408955872 PLTFAJMKWULCBB-YWGCPNFGSA-N 475.814 5.958 50 40 JKGB COc1cccc2cc(C(=O)N/N=C/c3ccc(OCc4ccc(Br)cc4)cc3)oc12 408969403 NGDYJRWKCDIJJR-VULFUBBASA-N 479.330 5.547 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccccc3)o2)cc1 409003053 QZYXBDSEINEFIB-QINSGFPZSA-N 469.360 6.138 50 40 JKGB OCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 642882844 CLQXCSLKQRYMDM-YFKPBYRVSA-N 482.071 5.056 50 40 JKGB O=C(N/N=C/c1cccc(I)c1)c1cc(-c2ccccc2)nc2ccccc12 2345416 JOTVJLNCVIHRQP-MFKUBSTISA-N 477.305 5.270 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)sc(C)c1C 2391516 IFAOQDWUONZPNW-GDNBJRDFSA-N 488.432 6.404 50 40 JKGB COc1cccc(-n2sc3c(c2=S)-c2cccc4c2N(C(=O)C4=C(C#N)C#N)C3(C)C)c1 2412191 BQMZSWUPRNSQHZ-UHFFFAOYSA-N 456.552 5.340 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1ccccc1-n1cccc1 2774335 NSSGSIAHRSXGKU-WKULSOCRSA-N 498.797 6.780 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccccc1I 3255442 BIBUWQZYWGNDAI-QGOAFFKASA-N 498.295 5.555 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)nc2-c2ccc(C)cc2)cc1 3317041 AQJGJOFTMBUCFF-UHFFFAOYSA-N 490.592 5.756 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)cc2)c1 9311016 RHSNWXYITSZOJO-ZHZULCJRSA-N 477.358 5.972 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCc3ccccc3Cl)N=C3CC(C)(C)CC(O)=C32)cc1 9339644 MQQLACAIPVRTHV-QHCPKHFHSA-N 465.018 7.187 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCc1cccc(C(F)(F)F)c1 12532959 MQRKVWOAOBXXAG-WOJGMQOQSA-N 466.484 6.967 50 40 JKGB O=C(NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(CSc2ccc(Cl)cc2)cc1 14129719 GDLXTAMZBRLNGZ-UHFFFAOYSA-N 490.028 6.067 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(C)cc2)ccc1OC(=O)c1ccccc1Cl 20175872 HZNCGPKICLLUGZ-KGENOOAVSA-N 474.944 5.490 50 40 JKGB Cc1c(Br)c(/C=N/NC(=O)CSCc2ccccc2)c(C)n1-c1ccccc1 20243607 ZFYMFTOLKAVDRX-ZMOGYAJESA-N 456.409 5.240 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2Br)cc1 20761051 ZXNFRSRQIAVMJN-LQKURTRISA-N 473.370 6.254 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1ccc(Cl)cc1 28216861 VSOIPLYZZLJYEQ-KCSSXMTESA-N 497.042 6.070 50 40 JKGB CC(=O)N(c1nc(/C=C/C(=O)c2ccc(O)c(CCCl)c2)cs1)c1cccc(C)c1C 32816744 OYROCUJRDMDZHQ-CSKARUKUSA-N 454.979 5.828 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(Cl)c(Cl)c3)n2-c2ccccc2)cc1 33362000 PWPXDPBTUUROAQ-VYYCAZPPSA-N 496.423 5.792 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccccc4F)c(Cl)c3)[nH]c2c1 33651688 KPSMKKQJRSZLEA-MFOYZWKCSA-N 452.316 6.960 50 40 JKGB COc1ccc(N/C(SCc2ccccc2C)=C(/C#N)S(=O)(=O)c2ccccc2)cc1Cl 56918340 WIUYGHQETHFMND-WCWDXBQESA-N 485.030 6.169 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 58871575 ULGOCXORMZOJFI-JVWAILMASA-N 455.470 5.100 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 59255576 XXZXCISLNXIUJX-UYRXBGFRSA-N 467.352 6.517 50 40 JKGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 59436916 BZJYSTHBBBWCNE-DHRITJCHSA-N 469.950 5.211 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(C)cc1 59483964 BNIZNKZVMRHLIR-MTJSOVHGSA-N 491.385 6.199 50 40 JKGB CC1(C)C[C@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)C1 101108443 ZERXVHMDNIWWAX-JHPRERPFSA-N 499.442 5.332 50 40 JKGB Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(O)CC(C)(C)CC3=N2)c1 104079004 KWANTAJBSBCJGZ-HSZRJFAPSA-N 477.655 6.642 50 40 JKGB N#CC(C#N)=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2ccc(-c3nc4ccccc4o3)cc2)C1=O 113482631 PWMSOUPIOFJQEE-HSZRJFAPSA-N 491.532 5.231 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccccc1[N+](=O)[O-] 408598968 MIEZLMMTKKLWLT-WYMPLXKRSA-N 488.725 5.354 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1OCc1ccccc1 408745361 MFWABVIBAOLMGR-KQWNVCNZSA-N 472.972 6.592 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 408783117 KEAWSZYMMRTWKY-HKWRFOASSA-N 473.359 7.271 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2)c(C)c1 408787774 GBSJLBJTUQVAJH-FYJGNVAPSA-N 461.359 6.191 50 40 JKGB CCOC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 408792790 CGBLKLBVAJXJLJ-NTUHNPAUSA-N 498.160 5.243 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl 408796109 NFOHKEBPHXSZTH-LFYBBSHMSA-N 488.154 5.788 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC 408818486 YCZXMLBWIKQTFQ-RIYZIHGNSA-N 498.204 6.489 50 40 JKGB COc1cccc2cc(C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)oc12 408968906 CRGMFGBMQGRMNJ-UVHMKAGCSA-N 469.324 6.091 50 40 JKGB CCOc1cc(C=C(C#N)C#N)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409007932 RXMMNCRLDFXFCA-UHFFFAOYSA-N 481.596 6.001 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1 409075809 YESOEKFJOSAOQD-CJLVFECKSA-N 488.565 5.046 50 40 JKGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl 409219949 RYUGSQNITMTMDR-GHRIWEEISA-N 466.324 5.557 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)c1C 409220149 UUJGQSWAYARNKH-XSFVSMFZSA-N 459.933 5.520 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc2ccccc2c1 409233698 WCWPCDWOIUZCMW-UHBFCERESA-N 476.935 5.913 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)c(C)c1 409248560 DTMPXTUDRULUEN-HZHRSRAPSA-N 453.542 5.483 50 40 JKGB CCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1Cl 409322383 JVGAYNZSMQGBMO-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(Cl)c2)cc1OCC 409323701 PEXXWIMYWPCZPR-QRQIAZFYSA-N 466.965 5.870 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)ccc1OCc1ccc(Cl)cc1Cl 409366186 YPYYOXHIQKJZFN-MWLSYYOVSA-N 485.411 6.226 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409366831 ZAPLVGUXIZMIBL-FMQZQXMHSA-N 488.754 7.027 50 40 JKGB CCOC(=O)c1sc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c(C(=O)OCC)c1C 948289 HNHAQWUJSFTNRR-LDADJPATSA-N 454.548 5.079 50 40 JKGB Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccccc3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2424340 CEYDUGDCYHPWKR-HAVVHWLPSA-N 499.592 5.431 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OC(=O)c1ccc(OC)cc1 2797445 LJITYVOIRQGPHG-CPNJWEJPSA-N 476.916 5.512 50 40 JKGB CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)cc1 9461784 OCENZWOFDHQZMM-PGMHBOJBSA-N 468.582 5.858 50 40 JKGB O=C(N/N=C/c1cc(/N=N/c2cccc3ccccc23)ccc1O)c1ccccc1Br 10060110 FRSDELCXEVDHES-AFLDOIPMSA-N 473.330 6.487 50 40 JKGB C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 12461793 FYTAOPCGYAXBFN-JJKYIXSRSA-N 497.620 5.545 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 14134821 HYGJHLJQCQOZCC-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1cccc2ccccc12 14923827 LPZBLWSVDNXZLF-ADIMLFFHSA-N 460.534 5.046 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc2c(c1)OCO2 15231242 DYHDLOMMSRTXFL-GATIEOLUSA-N 480.318 5.095 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 20232490 VLDHAEDEMCYZKC-SGWCAAJKSA-N 477.630 5.126 50 40 JKGB N#CC1=C(N)OC2=C([C@H]1c1cccc(Cl)c1)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12 20558477 VIKBUGGOZLPSOF-QFIPXVFZSA-N 493.947 5.006 50 40 JKGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)C(=O)Nc1cccc(C(=O)O)c1 33453916 ZVTKRRCAKYTFBT-GHXNOFRVSA-N 472.240 5.405 50 40 JKGB O=C(N/N=C/c1c(F)cccc1Cl)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 58919221 VOZHOZUHUPBNKH-GLYQIKNISA-N 467.953 5.017 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 59117373 ZRCAJXKQCVQKAK-LICLKQGHSA-N 457.744 6.771 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)N1CCN(c2ccccc2)CC1 59676678 XUXFJJQUTQIBBW-BMRADRMJSA-N 452.341 5.509 50 40 JKGB COc1ccc(-c2nnc(SCC(=O)N/N=C\C(C)=C\c3ccco3)n2-c2ccc(C)cc2)cc1 100853499 YSIWMEBNOITNFD-DPYYSDPHSA-N 487.585 5.142 50 40 JKGB CC(C)c1nc(C(C)C)c(CO[Si](C)(C)C(C)(C)C)c(-c2ccc(F)cc2)c1/C=C/C=O 196769089 KJJYACIUGGXNTO-ZHACJKMWSA-N 455.690 7.868 50 40 JKGB in-vitro CCO[Si](OCC)(OCC)[C@H]1C[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)C2(Cl)Cl 256113782 AMPGOMIFIUKMJG-XXILOJSOSA-N 463.088 5.641 50 40 JKGB COc1cc(COc2ccc(/C=N\NC(=O)Cc3ccccc3)cc2)ccc1OCc1ccccc1 408540165 NYOIMLJSXZAJNO-GTWSWNCMSA-N 480.564 5.546 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(Cl)cc1Cl 408541181 FESCIUQYEMAZLD-NVMNQCDNSA-N 497.334 5.825 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)ccc1OCc1ccc(Cl)cc1 408719244 OJWHVMZADSHVQJ-DVQSINOTSA-N 483.033 6.090 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)NCc1ccccc1 408739729 DYCPSWGSISALCL-WSDLNYQXSA-N 472.342 5.123 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 408746811 VYDCUZNEUBRDLB-YBEGLDIGSA-N 455.301 5.855 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OC)c1OCc1ccccc1C#N 408795209 LPGMBEAHUKPFQM-MFKUBSTISA-N 463.537 5.728 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1C#N 408798041 UIQBVTCNBKNLDN-CIAFOILYSA-N 487.943 5.744 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(C)c(C)c1 408802787 HISNOGDUYJRTGV-FYJGNVAPSA-N 491.385 6.199 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(I)cc1 408803980 BKTJHOZSSOVVIT-SFQUDFHCSA-N 485.300 5.384 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1cccc(Cl)c1 408809993 LJLTWFZXTSWBNF-VCHYOVAHSA-N 483.351 6.222 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc([N+](=O)[O-])cc1 408855537 FBGCCDZPUXJWQD-YSMPRRRNSA-N 459.458 5.083 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Cl)c1)C(=O)Nc1ccc(F)cc1 408873676 WBPZYFLMDGLZGT-WOJGMQOQSA-N 469.741 6.378 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OC(=O)c1cccc2ccccc12 408884361 WUVYNNXTMHGYDD-RCCKNPSSSA-N 492.487 5.311 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Br)c1 408888842 BSBOTNHGCSXHMZ-YDZHTSKRSA-N 489.413 6.807 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1cccc2ccccc12 408921850 CMTIQHJTXQGPGW-NCELDCMTSA-N 454.529 7.118 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1Cl 409054193 SIIDSNBGOOYDLP-BRJLIKDPSA-N 458.301 5.553 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409078908 DXPCURNLLOHBAE-WOJGMQOQSA-N 488.456 5.466 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409256675 MXVITAMEELDUON-WKIKZPBSSA-N 486.355 5.092 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2F)cc1OCC 409319537 HXVUTBIMPRAGCS-QRQIAZFYSA-N 450.510 5.356 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N1C(=C(C#N)[C@@H]2c2cccs2)N=C(N)c2c1sc1c2CCCCC1 708341 TWARSUXHPCHVJJ-HXUWFJFHSA-N 474.655 5.780 50 40 JKGB C[C@@H](Br)[C@@H](OC(=O)c1ccc(Cl)cc1)c1cc2c(cc1Br)OCO2 1614638 NARJJTBWXGTBFG-JDNHERCYSA-N 476.548 5.513 50 40 JKGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1C 1915659 HUCURTGQJBHZIT-LPYMAVHISA-N 453.947 5.574 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2Cl)NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 2218116 XINOOLHLMHNFNY-FQEVSTJZSA-N 474.369 5.387 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/c1c[nH]c2ccccc12 2387581 NWSLLGWXYZSERR-RWPZCVJISA-N 486.988 5.311 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)cc1 2696682 NEGIFDBQOKPUTA-PGMHBOJBSA-N 452.514 5.144 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3c(s2)CC[C@H](C)C3)ccc1OCc1ccccc1Cl 3402054 GVTHVILFGUIYIF-JZNDDVEWSA-N 469.006 5.878 50 40 JKGB CCSC1=C(C#N)[C@H](c2ccccc2Cl)C[C@](OC(=O)c2ccccc2)(c2ccccc2)N1 3670791 XBYQFJIHSGJTNX-CUNXSJBXSA-N 475.013 6.615 50 40 JKGB CN(c1ccccc1)c1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] 13149154 HVDAUMLJDZGBRC-DEDYPNTBSA-N 498.358 5.464 50 40 JKGB O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/C=C/c1ccco1 13233107 XGXNBYXDSDRMOP-UAPAKVGBSA-N 450.951 5.239 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCc3ccc(C)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC 13300209 UZFQKKQAYFLHBM-VWLOTQADSA-N 474.626 6.011 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 16525623 FPTUKTHPJXXTGJ-GZTJUZNOSA-N 467.462 6.149 50 40 JKGB CCOc1ccc(/C=C2\CN(C(C)C)CC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OCC)cc2)cc1 20101844 DMEIACXFOZBZLH-OXYJFDKOSA-N 471.601 5.353 50 40 JKGB CC(/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)=C\c1ccccc1 38196371 IIFQQIBJLOVQSA-HIHYPLCCSA-N 475.017 6.036 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc2ccccc2c1 59334406 ZSOZTDBAPFDASL-JAIQZWGSSA-N 465.347 5.185 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 59336456 ZQHDNIOXNRXSGY-ZROIWOOFSA-N 496.188 6.265 50 40 JKGB C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(C(C)(C)C)cc1 59473032 AUDRNHPJGRJUML-MTDXEUNCSA-N 451.035 7.084 50 40 JKGB Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3cccs3)c2C)ccc1Br 59534564 PIIWPRUWUUPOCE-WOJGMQOQSA-N 454.393 5.450 50 40 JKGB CCCC[C@H](I)C[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95677037 JQEZOODFYSEAMT-NKWVEPMBSA-N 496.098 6.405 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)ccc1OCc1ccc(Cl)cc1Cl 100175525 KCRJPLAKSDPOOS-LWKJUEOLSA-N 475.416 6.248 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(F)cc1 107755481 HVVNVCQWAICWSG-KGENOOAVSA-N 487.531 5.404 50 40 JKGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc21 208465739 FDJNOMFLMROZMZ-WYMPLXKRSA-N 458.971 5.122 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1 408583383 UEVWYODJLKRACC-SFQUDFHCSA-N 460.338 5.834 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)cc1 408734183 FJOGTGGUPYRIHI-XQNSMLJCSA-N 452.941 6.926 50 40 JKGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Br 408747171 JYHVMLMCKFYEEF-JYRVWZFOSA-N 494.570 5.423 50 40 JKGB COCCCNC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408797986 DEWDOHIRRPNRTH-QGOAFFKASA-N 456.373 5.365 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccccc1C#N 408816717 SCGBMRBQRKMFRS-PXMCARDJSA-N 451.526 5.320 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OCc2ccc(Br)cc2)c1 408819039 ZPMMYBHYCMOSNK-DEDYPNTBSA-N 477.358 5.891 50 40 JKGB COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1 408830387 OEFQUBLVFUOGCZ-LDADJPATSA-N 453.325 6.127 50 40 JKGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OCC 408833598 RWTFCXPEPJDGQW-OVCLIPMQSA-N 479.360 5.744 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Cc2ccccc2Br)c1 408883343 QSQQKZKXGRHMJS-XDHOZWIPSA-N 481.777 6.248 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1OCc1cccc2ccccc12 408886365 KHMHPYWQVITVSM-JVWAILMASA-N 455.470 5.100 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Cl)c1OCc1ccccc1C 408922936 HTLOGUFFAOXPHS-STBIYBPSSA-N 473.960 5.791 50 40 JKGB Cc1cc(-c2ccc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)c([N+](=O)[O-])cc1C 409031926 BNSQXHCBXSMQGB-LQNQUEJISA-N 490.519 6.451 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCc1c(F)cccc1Cl 409193547 GGEYLMWZEAQIFK-XNGBXZAESA-N 465.912 5.214 50 40 JKGB COc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 409197914 RUWVRHDQVGYVEZ-WWTGGXICSA-N 468.340 5.338 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409219345 PSYUHBPSHNAUTG-QGOAFFKASA-N 491.931 5.007 50 40 JKGB C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OCC)c1OCc1ccc(C)cc1 409232540 QURYUJWKZSIAOK-YKQZZPSBSA-N 460.549 5.533 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1)c1ccccc1 409235526 CAABUCVYFWUHRW-FMNVXAMXSA-N 455.739 6.147 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC(=O)C[C@@H]1c1ccc(Cl)cc1 409315455 VNWGQFWZAPYHRR-CQSZACIVSA-N 465.884 5.069 50 40 JKGB CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3Cl)=C2C#N)cc1 409317431 QMUXYKDJMJOFME-AWEZNQCLSA-N 478.426 5.426 50 40 JKGB CN([C@@H](c1ccccc1P(c1ccccc1)c1ccccc1)C(C)(C)C)[S@](=O)C(C)(C)C 1857795094 LSFXASOJFLAEOF-XYFQYJLHSA-N 465.643 5.926 50 40 JKGB CC(C)C[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)NC2=C1C(=O)CCC2 1000328 UQZOABGTSQGNHN-INIZCTEOSA-N 474.424 5.129 50 40 JKGB Cc1ccccc1-n1c(SCC(=O)N/N=C/c2ccc(C(C)C)cc2)nc2ccccc2c1=O 2229070 SLIMTFKMLQFESC-LQKURTRISA-N 470.598 5.060 50 40 JKGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccc(C(C)C)cc1 2312264 NVZUKYGJIXAREM-YADHBBJMSA-N 498.004 5.413 50 40 JKGB N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 2423860 CQAFRFACGSHYDG-IVYNLYIOSA-N 495.938 5.683 50 40 JKGB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 3285475 IMHDWLFVEZETIB-UVHMKAGCSA-N 492.967 5.446 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@H](c3ccc(F)cc3)Nc3c(Cl)cccc3[C@@H]2[C@@H]1Cl 8426175 KBFKAEYOXGRGEG-XZCYHHARSA-N 489.399 7.426 50 40 JKGB CCCOc1ccc(-c2cc(C(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)c3ccccc3n2)cc1 8456038 QPHKIUUNBZWSAY-UXHLAJHPSA-N 499.567 5.480 50 40 JKGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1ccc(-c3cc([N+](=O)[O-])ccc3Cl)o1)CO2 9369977 NYLDUQSVGYJISB-VSDHBIACSA-N 483.908 5.096 50 40 JKGB O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1 9375119 XPBNHYOSJHVLGR-WKULSOCRSA-N 469.932 5.554 50 40 JKGB Cc1ccc(F)cc1N/C=C(/C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 9404891 OJZZSGLOIPDYPU-UVTDQMKNSA-N 482.334 6.103 50 40 JKGB O=C(Cc1cn2ccsc2n1)N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 12564179 MFLDHFANZQMFMN-RDRPBHBLSA-N 475.577 5.700 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 14152094 HUESLDHIHOVOBR-FYJGNVAPSA-N 464.550 5.495 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)cc1 16292977 ITUZSKPMKQUKDM-UQQQWYQISA-N 479.555 6.666 50 40 JKGB CCOc1cccc2cc(-c3csc(/C(C#N)=C\c4ccc(Br)cc4)n3)c(=O)oc12 16693347 JKIAGGUKAJAGOM-YBEGLDIGSA-N 479.355 6.142 50 40 JKGB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1 20347829 MOICBEYZZNVSIR-AREMUKBSSA-N 499.592 5.399 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1cccc2ccccc12 58871561 NPQIBLTXJCOWDS-LQKURTRISA-N 460.986 6.315 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(Cl)cc1Cl 59248712 ZBNQRWABJBVSMS-XFFZJAGNSA-N 485.617 8.218 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)c(I)o1 96466364 LYPQGZSRUKOQER-UITAMQMPSA-N 491.510 5.154 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccccc1Br 108231288 ZAWGJDHBGTZKBT-UKTHLTGXSA-N 462.130 6.562 50 40 JKGB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](Br)CC[C@]4(C)[C@H]3CC[C@@]12C 257348491 GCLRJMLUSNRQMO-IXQAJTQVSA-N 451.577 8.871 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 408550286 FNCCDOPICORWMK-XDHOZWIPSA-N 457.530 5.762 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(F)cc1 408579638 IXHPVUPAFMCZNY-VCHYOVAHSA-N 472.741 6.893 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccc(F)cc1 408581741 ZCWVNXVPEYWJOF-RGVLZGJSSA-N 467.924 6.538 50 40 JKGB CCc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4cc(C)c(C)cc4[nH]3)cc2)cc1 408605253 LICZZERYKWDVAC-PXLXIMEGSA-N 450.542 5.824 50 40 JKGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 408608558 HQBCQZAOMHNTDQ-MZJWZYIUSA-N 470.356 5.224 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccc(Cl)cc1 408785532 GYHMLMJDAVAWAJ-MFOYZWKCSA-N 477.786 5.512 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408792584 LCRAZWZHMOGNFH-XIEYBQDHSA-N 478.523 6.529 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2c(OC(C)C)ccc3ccccc23)c(OC)cc1Cl 408830707 PTJKDJFGFMLHSN-GZTJUZNOSA-N 450.922 5.843 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Br)c(Cl)c1 408866077 FOCOFBBFHDYAKI-UDWIEESQSA-N 465.778 6.547 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OCc1ccc(Cl)cc1 408883205 UETXVGURJIIAJV-LICLKQGHSA-N 498.322 6.035 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1cccc2ccccc12 408911877 KWMNGDCDYYOSBO-OCSSWDANSA-N 488.971 6.000 50 40 JKGB O=C(N/N=C\c1ccc(Cl)cc1Cl)c1sc2cc(Cl)cc(Cl)c2c1Cl 408971549 IQAHREGEWQAVSZ-HCDFXORVSA-N 452.577 6.932 50 40 JKGB O=C(N/N=C/c1ccc(N2CCCCC2)o1)c1ccc(CSc2ccc(Cl)cc2)cc1 409001867 XFARXPVDQWYOAU-WGOQTCKBSA-N 453.995 5.980 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Br 409048196 REYDOZUDZMEIKL-MDWZMJQESA-N 480.131 5.461 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)NCc1cccs1 409198421 AGZPOHIQNGAGAN-LDADJPATSA-N 476.399 5.737 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 409211961 PKBJQBCOMFOUMS-YVNNLAQVSA-N 494.754 5.513 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(I)cc1)c1ccc([N+](=O)[O-])cc1 409213533 URSDUIZCQCNESF-UYRXBGFRSA-N 482.277 5.843 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1cccc(C)c1C 409251128 OPHRJDOZFCTUAY-DEDYPNTBSA-N 489.959 5.529 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C 409252526 SXZVUQWINBKEMU-BKUYFWCQSA-N 473.960 5.828 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1ccccc1 409257240 PISSXAVNQJZATE-SFQUDFHCSA-N 466.324 5.557 50 40 JKGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 1820690 CZSADAMSPUJQRG-RDRPBHBLSA-N 499.640 5.483 50 40 JKGB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](I)CC[C@]4(C)[C@H]3CC[C@@]21C 2556043 PMVJGSYGUZXDAR-DPAQBDIFSA-N 496.561 8.831 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccccc1 8818218 KSPBEYBDXRCJOQ-JVWAILMASA-N 496.423 5.874 50 40 JKGB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(N)=C(C#N)[C@H]1c1ccc(Cl)cc1Cl 8857429 DISBWQSPLGQVDR-HXUWFJFHSA-N 462.764 5.782 50 40 JKGB COc1cc(N/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c(OC)cc1C 9458459 PRLWRKGCGHAPKM-JXAWBTAJSA-N 495.560 6.372 50 40 JKGB COc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCCc1ccccc1 10059842 SLGUQWFVVAUJMH-JWGURIENSA-N 461.525 5.020 50 40 JKGB CCCCc1ccc(N2CSC3=C(C#N)[C@@H](c4c(Cl)cccc4Cl)CC(=O)N3C2)cc1 12251060 GIQLGXPBYKKMRZ-SFHVURJKSA-N 472.441 6.555 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccccc1Cl 13563546 CXLSPXPXTICDFJ-YUMHPJSZSA-N 496.423 5.874 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 20197602 STSVSZOFDWWIFG-JFLMPSFJSA-N 457.357 6.125 50 40 JKGB COC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1 20347536 RUERISAKFFDVTH-OAQYLSRUSA-N 488.396 5.234 50 40 JKGB C/C(=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)c1ccc(NC(=O)c2cccs2)cc1 20352612 JZXVAWCQHJEAEI-KSXCTLEASA-N 455.967 5.270 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(O)c1 23410765 XHMYNNBJTCHJMN-TWKHWXDSSA-N 466.585 5.768 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 28217994 GMZCNTWQPAZOKB-VULFUBBASA-N 467.363 5.417 50 40 JKGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2cccc3ccccc23)C2CCCCC2)c(C)c1 33768785 YTLZEJDXOJAJGC-MIXAMLLLSA-N 491.657 5.239 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc(-c4cccs4)c(NC(C)=O)s3)o2)cc1 34982926 FSUHJODEGUVJQF-AQTBWJFISA-N 489.578 6.331 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 59117393 LOOZYQUDAZQYCV-SDQBBNPISA-N 470.150 5.709 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc(Cl)cc(Br)c1O 59182468 NOTHQXKFJIBVPP-WYMPLXKRSA-N 459.727 5.004 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)c(OCC)c2)cc1 59297087 VLKYAQJRSOXFRL-QNGOZBTKSA-N 460.505 5.748 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2O)c1 59474934 KEFCNRAWWIQDFT-MLPAPPSSSA-N 450.130 5.080 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1ccc(Br)cc1)c1ccc(Cl)cc1Cl 83297303 JQPDNVJHKLNVQT-ROTLSHHCSA-N 478.173 6.099 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 96476452 FAUBUSRBLYACHH-ZHZULCJRSA-N 495.364 5.807 50 40 JKGB Cc1cc2ccccn2c1C(=S)N=P(c1ccccc1)(c1ccccc1)N1CCOCC1 97984822 QVXTXADOHPJTQI-UHFFFAOYSA-N 459.555 5.023 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C\c1ccc(OCc2cccc3ccccc23)cc1 100062733 ACXXLMOTOIBVPF-QRQIAZFYSA-N 473.370 5.874 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(O)CCCC3=N2)cc1Cl 104149439 JFJHCZFMAGLCHI-NRFANRHFSA-N 470.019 6.351 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3Br)o2)cc1 107931675 NCLKILNMAWBVNU-DICXZTSXSA-N 492.373 5.793 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1P(=O)(c1ccccc1)c1ccccc1 257364939 QFKSDBYGNQVKML-NZWZHHCMSA-N 496.527 6.182 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)c1 408744318 KJYGKRNKGPFVRU-PKAZHMFMSA-N 486.575 6.399 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C)c3)c(Br)c2)cc1 408744618 MHOSEIAQEICOCL-STZFKDTASA-N 491.385 6.281 50 40 JKGB CC1CCN(C(=S)c2cc(Br)ccc2OC(=O)/C(C#N)=C/c2ccccc2)CC1 408755051 XZSIPSZYPVTRJI-QGOAFFKASA-N 469.404 5.369 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(C)c1OCc1ccc(Cl)cc1Cl 408855106 DKZJQMHEZBSIBU-KKMKTNMSSA-N 461.776 6.607 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(Br)cc1 408866099 FQISXVSWORAJHE-WOJGMQOQSA-N 486.196 6.892 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2Br)cc1 408876286 OJNOVNRLMRTRJP-XSFVSMFZSA-N 495.804 6.638 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2Br)ccc2ccccc12 408881942 MPAFUXVKLVNCOG-CJLVFECKSA-N 497.392 7.035 50 40 JKGB O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)c1cccc(Br)c1 408926147 VMEWASBGLNHOHW-JVWAILMASA-N 459.343 5.945 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408945233 NGWITLKQVANLIX-KALUYTGESA-N 494.762 5.282 50 40 JKGB O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1cc(Br)c(O)c(Br)c1 409001692 QLOKZUDXVLJGEX-UFFVCSGVSA-N 496.180 5.425 50 40 JKGB Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 409019077 VQPDCDGSSTUPBY-ZVDFNDOMSA-N 496.007 5.277 50 40 JKGB C#CCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br 409031552 HCPJDULVHQNDNZ-QRQIAZFYSA-N 484.353 5.440 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 409065124 GJIAUEDUBSIQQA-PXLXIMEGSA-N 499.523 5.552 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1OCc1cccc2ccccc12 409067020 NJFPNJDWKQKLHT-KOEQRZSOSA-N 492.550 6.841 50 40 JKGB CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2cccs2)CC(=O)N1 409131230 MMZHYIKSNYWIOK-OAHLLOKOSA-N 490.448 5.092 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12)C(=O)NCCCc1ccccc1 409252411 XSLWMCYPUULVKQ-XHPQRKPJSA-N 490.559 5.773 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 409358043 JVSXOQMRIXGIGH-UNOMPAQXSA-N 454.751 6.754 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2OC)cc(Br)c1OCc1ccccc1 409372999 RUDKECHAALMBJL-CVKSISIWSA-N 483.362 5.199 50 40 JKGB CC(C)(C)OC(=O)N1CCC[C@@](CCCI)(c2ccc(Cl)c(Cl)c2)C1 601014381 GRCDZCVRSWNMTF-LJQANCHMSA-N 498.232 6.477 50 40 JKGB CCn1c(SCC(=O)N/N=C/C(Cl)=C/c2ccccc2)nnc1-c1ccc(Cl)cc1 1825367 WHTXCPVCPYUJRY-SJVSIACESA-N 460.390 5.092 50 40 JKGB CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 2118016 PFVPCFPWPBUBOY-VWLOTQADSA-N 458.562 5.285 50 40 JKGB N#C/C(=C\Nc1ccc(Br)cc1F)c1nc(-c2cc3ccccc3oc2=O)cs1 8837216 CBFNPNRLVRNUMC-JLHYYAGUSA-N 468.307 5.795 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)c(C)n1-c1cccc(Cl)c1Cl 14359777 FYINJQUVWNJLFQ-GZTJUZNOSA-N 468.340 5.718 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)c(C)c1 16713659 NCDMZIAQVAATAS-OQKWZONESA-N 480.568 5.843 50 40 JKGB COc1ccc(-c2csc(N(NC(=O)Nc3ccccc3)C(=O)NC3CCCCC3)n2)cc1 16956841 YQPNJLRIYSBLKX-UHFFFAOYSA-N 465.579 5.404 50 40 JKGB CC(C)c1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 19948684 CCUYTOGLMHAYHO-MTDXEUNCSA-N 477.630 5.279 50 40 JKGB Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)c1 20243694 MCRNMGBCDFBIKG-BRJLIKDPSA-N 490.854 6.061 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccccc2Br)c2ccccc2n1Cc1ccc(C#N)cc1 20761141 FLIPDYKHRWNBCU-RWPZCVJISA-N 471.358 5.396 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 28216149 OEYGSLOIWQSJHM-OPEKNORGSA-N 491.400 5.693 50 40 JKGB O=C1c2ccccc2O[C@H](c2ccccc2)[C@@]1(Br)[C@@H](Br)c1ccccc1 33374164 ONSKQBKXYIPURM-KSEOMHKRSA-N 472.176 6.273 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 33437765 KIPJFWBSBAPXFJ-ATVHPVEESA-N 479.989 5.932 50 40 JKGB CCOc1ccc(N2Cc3ccc(C(=O)N/N=C/c4ccc(Br)cc4)cc3C2)cc1 58872008 QRFZESCTKZBMOC-VULFUBBASA-N 464.363 5.132 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccc(Br)cc12)C(=O)NC1CC1 59087227 MFEBZVVPPBIYIN-OQLLNIDSSA-N 454.755 5.291 50 40 JKGB C/C(C=O)=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3=O 70455521 PIOYBULRRJNPSG-APNOOHQESA-N 454.695 6.837 50 40 JKGB biogenic CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2c(C)cccc2C)N=C2CCCC(O)=C21 102872615 FNNPSPGSINCYGA-VWLOTQADSA-N 487.625 6.343 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 107653882 BZWXLPCIJGFPBO-AMVVHIIESA-N 497.353 6.637 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccc(C)cc1 408678408 YQQHHDYUPRXJGW-UXHLAJHPSA-N 492.019 5.990 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)cc2)cc1 408743935 CPSHJQIMDFJFSY-RGEXLXHISA-N 463.331 5.582 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCc1ccccc1Cl 408768143 CHWYUXDPIIEAAR-QDTIIGTASA-N 462.855 5.710 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2F)c(Cl)c1 408790362 PGHHXHMESLOEGH-VCHYOVAHSA-N 455.316 6.566 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1 408795984 NVUHINHUHZREBQ-VXLYETTFSA-N 485.798 7.388 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1ccc(Cl)c(Cl)c1 408807310 GZMUJWKZVIEQRX-NJANSZDQSA-N 473.400 6.183 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(OCC)c2)cc1 408817807 UOHTZJWEZFNILO-PCLIKHOPSA-N 498.579 6.004 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OC 408835001 WOPSTPUYRXAFDM-XQNSMLJCSA-N 454.526 5.693 50 40 JKGB N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)C(=O)Nc1ccc(Cl)cc1Cl 408845328 GADJXOIWHGDSBW-XFFZJAGNSA-N 455.139 5.495 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 408849108 VGHPHNTUXJMNGX-NDZAJKAJSA-N 490.519 6.385 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OC(=O)c1cccc(F)c1 408889803 JGVZPSPHEOJIEQ-MHWRWJLKSA-N 485.298 5.906 50 40 JKGB N#C/C(=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1cccc(Cl)c1Cl 408895586 LKXOHUCCGSRTBL-GZTJUZNOSA-N 462.336 6.599 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(F)cc1 408925334 RAYHNHZQRHJLBZ-VCHYOVAHSA-N 480.879 5.311 50 40 JKGB O=C(N/N=C/c1cccc2ccccc12)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 409006514 OJFJUPKJQHSJMF-JFLMPSFJSA-N 454.357 5.149 50 40 JKGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 409143191 VTLDQTCFIKRZDK-XODNFHPESA-N 470.787 6.343 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 409216432 IFCDZYXJFTXVJC-IUXPMGMMSA-N 470.268 6.453 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1 409224418 LIMKGMGKDVKMPQ-CJLVFECKSA-N 499.567 5.356 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1c(OCc2ccccc2C#N)ccc2ccccc12)c1ccccc1 409238045 KAZKWKDJDCTQJY-UGHLTKRUSA-N 457.533 6.075 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(Br)c1OCc1ccccc1 409376814 BJJVPZHWFYYDJN-JAIQZWGSSA-N 480.362 5.132 50 40 JKGB CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2cccc(C)c2C)=C(C#N)[C@H]1c1ccccc1Cl 2312236 BBIHCQXVRYOLGN-FGZHOGPDSA-N 498.004 5.297 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2Cl)c2ccccc12 2801941 IIXXXKCCXKHRRL-XDHOZWIPSA-N 460.364 6.851 50 40 JKGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2C)cc1 6134948 FWENPKUAGZAPFQ-CCVNUDIWSA-N 472.467 5.276 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 9668284 NSFQRNVVHJOFBB-XQNSMLJCSA-N 453.538 6.310 50 40 JKGB CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccccc1Cl)=C(C#N)[C@@H]2c1ccco1 12250008 KZPBTDDRGKYJOZ-OAQYLSRUSA-N 467.978 5.370 50 40 JKGB CCc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2C)c2ccccc23)cc1 20558709 RTIZOJCGEVFHLI-RUZDIDTESA-N 483.593 5.084 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@H]1[C@@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@H]12 36092600 UYDDPTCNFUMGFE-YXOGWZJSSA-N 485.562 6.572 50 40 JKGB Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(O)CCCC3=N2)c1 102603185 CXPJMIFXKGDLBW-XMMPIXPASA-N 478.017 6.598 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)C(N)=S 408541427 ASFBZIWUBWVPJN-BJMVGYQFSA-N 472.242 5.361 50 40 JKGB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Br 408747934 VWWZWJXGWPBSPP-GHXNOFRVSA-N 484.575 5.809 50 40 JKGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccc(Cl)cc1Cl 408758587 NFNGWQGRJRUWMN-JFLMPSFJSA-N 499.375 5.678 50 40 JKGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1-n1cccc1 408759711 KDZDLONZWAYEEG-ZTKZIYFRSA-N 495.560 5.162 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1c(C)ccc2ccccc12 408800573 PTQIOVANFAXCSA-OEAKJJBVSA-N 496.994 7.243 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc2n1Cc1ccccc1Cl 408806908 CDARLJVFOICPIM-KMYAOZERSA-N 453.973 6.436 50 40 JKGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccccc3)cc2)cc1 408839703 VKPPRUDVEYTBDZ-NDZAJKAJSA-N 477.520 5.230 50 40 JKGB CCc1ccccc1NC(=O)N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 408845796 HMSKEEDDJZCVLG-FMCGGJTJSA-N 478.799 6.565 50 40 JKGB Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2F)c1 408868713 PTCLEPNSCOWHCD-FYJGNVAPSA-N 463.350 6.342 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br 408874674 DYKQUEVORNDOIF-NTEUORMPSA-N 453.258 5.802 50 40 JKGB CCCCCCOc1ccccc1/C=N/NC(=O)c1cccc(I)c1 408888745 ZYUSQDZUWVGKRG-PXLXIMEGSA-N 450.320 5.014 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1OCc1cccc(Cl)c1 408890251 QIQHRBWSNIBTBK-QGOAFFKASA-N 453.325 6.127 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408895000 KBUUZYUQDALRIN-AFUMVMLFSA-N 498.333 5.099 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC(=O)c1cccc2ccccc12 408896215 QLPDBVBXJFQLKH-XSFVSMFZSA-N 482.923 6.267 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)c(Cl)c2)cc1 408900328 VEEFHDHDORHBQC-HYARGMPZSA-N 460.961 6.480 50 40 JKGB Cc1ccc(NC(=O)Cn2cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c3ccccc32)cc1 408962871 KSZDTFKBBGTMSS-AMVVHIIESA-N 478.474 5.371 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc2ccccc2c1 408994338 YOWYDIGUMIUOSQ-JLPGSUDCSA-N 452.941 6.926 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 409073661 WTCHAQBCVCHTCU-LDADJPATSA-N 484.917 5.479 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 409079070 JZTDIKRGIKDJFD-LFIBNONCSA-N 455.348 6.378 50 40 JKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 409165297 WAMCFQFXJJCHMG-RGKQAONTSA-N 486.369 5.259 50 40 JKGB N#C[C@@H](C(=O)N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)c1ccccc1 409198341 DDPQIRCQUBSEHH-JSPCPOQUSA-N 471.358 5.210 50 40 JKGB Cc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3cccc4ccccc34)cccc2[N+](=O)[O-])cc1 409222478 DDGUTNUFNRXXNZ-YUMHPJSZSA-N 453.454 5.040 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)c1ccccc1 409236870 HQPFVNVWIXAQIL-HLILLCKBSA-N 477.520 6.111 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)NC(=O)C[C@@H]1c1ccc(F)cc1 409324797 VQJGRYKYKFOIMK-CQSZACIVSA-N 483.874 5.208 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCc3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 1790433 KFPCPYPHHLONNI-FYAMCCBRSA-N 488.012 5.391 50 40 JKGB O=C(CSc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)N/N=C/c1ccccc1 2738326 JMKVJELZCKYDKL-UXHLAJHPSA-N 492.608 5.275 50 40 JKGB COc1ccc([C@@H](Br)[C@@H](Br)C(=O)c2ccccc2)cc1Br 3119216 JPDFDFODMBDWMZ-HUUCEWRRSA-N 476.990 5.540 50 40 JKGB Cc1c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 4106955 IHQICMFIVVCXBF-IPPBACCNSA-N 480.446 5.689 50 40 JKGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)[nH]n1 9014888 SDVMWWGWCXDZCI-UXHLAJHPSA-N 490.567 5.222 50 40 JKGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1C 9263082 DBTNKTCYWYGHFF-LICLKQGHSA-N 450.882 5.210 50 40 JKGB Cc1c(Cl)cccc1N(Cc1ccc(C(=O)NN=C2CCCC2)cc1)S(=O)(=O)c1ccccc1 19926572 NMXPXSXGCIFRRD-UHFFFAOYSA-N 496.032 5.704 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 20197824 GIJBAHQUXFHWTA-CCVNUDIWSA-N 491.802 6.779 50 40 JKGB CO[C@@H](C(=O)N/N=C/c1c(Br)c(C)n(-c2cccc(C)c2)c1C)c1ccccc1 20243799 HXTRQVFJELWHGD-FDCKDHBTSA-N 454.368 5.003 50 40 JKGB N#CC(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2)=C1Nc2ccccc2N1 38173489 XBVYNSPFQCBSDQ-VKAVYKQESA-N 488.503 5.313 50 40 JKGB O=C(N/N=C/c1c(OC(=O)c2sc3ccccc3c2Cl)ccc2ccccc12)c1ccccc1 58871788 GUOBCLPQKLKLKM-MUFRIFMGSA-N 484.964 6.691 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)cc2)cc1 59335180 ZYVZHLKJWGPVJH-ZHZULCJRSA-N 494.332 5.724 50 40 JKGB COc1ccc(/C(C)=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OC 59473682 LLWRXIFDDJQNHP-WGOQTCKBSA-N 454.979 5.804 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 59536659 UTKNQKOHKUVBQB-HZHRSRAPSA-N 482.967 7.017 50 40 JKGB c1ccc(C2(c3ccccc3)C[C@H]([PH](c3ccccc3)(c3ccccc3)c3ccccc3)N=N2)cc1 104126584 MZRPZQJGIBOLCP-YTTGMZPUSA-N 484.583 6.839 50 40 JKGB Cc1ccc(NP2(=O)N(Cc3ccc(Cl)cc3)CCCN2Cc2ccc(Cl)cc2)cc1 104391751 UXYHMHWECMOWJW-UHFFFAOYSA-N 474.372 7.230 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(OC)c1OCc1ccc(Cl)cc1 408548543 IMCBNYXMWKKPQB-YUMHPJSZSA-N 465.980 7.873 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC 408578871 BHABCQVWNJBKCH-VXLYETTFSA-N 470.352 6.662 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1OC 408583706 WUWHKFPBEXHBQN-YDZHTSKRSA-N 485.967 7.162 50 40 JKGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 408607152 BZCCFDOEIMZUAR-WKULSOCRSA-N 498.410 5.786 50 40 JKGB N#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Br 408764571 UQURBQUGCNOAKS-SDQBBNPISA-N 495.558 5.313 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1OCc1ccccc1 408779411 WLXHQJHRPWOSHV-MTJSOVHGSA-N 491.385 6.199 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408792639 BPBDVEINRUWUGA-CAOOACKPSA-N 498.322 6.035 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)c2cccc(Cl)c2)c1Cl 408826825 TWAOKVODMVVCPE-SDNWHVSQSA-N 461.732 7.224 50 40 JKGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408829122 OEXAVIWRHAEGCO-IVWKQIGUSA-N 453.778 6.538 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cccc(Br)c2)cc1 408858969 USLGSWROMXQEME-PKAZHMFMSA-N 458.359 5.979 50 40 JKGB Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1 408866903 JYXYEJDDQDNUDR-PCLIKHOPSA-N 464.996 7.555 50 40 JKGB N#C/C(=C\c1c(Cc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 408872348 DLAWFUVGWVHZFO-XSFVSMFZSA-N 491.805 7.936 50 40 JKGB N#C/C(=C\c1c(Cc2cccc(F)c2)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 408875215 HKTPQPNMYNUFRY-RCCKNPSSSA-N 474.457 7.134 50 40 JKGB Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1 408882736 NSUSKJQAMCTIML-PCLIKHOPSA-N 464.996 7.555 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC(=O)c1ccccc1 408883561 RJCJXTZDPUXJHV-GZTJUZNOSA-N 467.308 5.767 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1c[nH]c2ccc(OCc3ccccc3)cc12 408899573 QMUDQDJNHDEPAY-WOJGMQOQSA-N 468.469 5.209 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1cccc(C(F)(F)F)c1 408962052 GAYWMHGHBULFGR-VPUKRXIYSA-N 485.264 6.494 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2F)c(Br)c1)c1cccc(C(F)(F)F)c1 408965219 USSSCMAUNHZKJA-KVSWJAHQSA-N 495.270 5.950 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OCC)c1OCc1ccc(C)cc1 408967398 QJOZNCDJIPPWPB-KBVAKVRCSA-N 471.532 5.476 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)ccc1OCc1ccc(C(=O)O)cc1 408968159 WTWDDEURLUEHMF-OCSSWDANSA-N 497.551 5.144 50 40 JKGB COc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1 409039360 QPSUJFPISBOSDK-VULFUBBASA-N 462.962 5.980 50 40 JKGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1ccc(Sc2ccccc2)o1 409085831 ZZQSGYVNUNRVAV-YUMHPJSZSA-N 453.523 5.049 50 40 JKGB CCOc1cc(C=C(C#N)C#N)cc(I)c1OCc1ccc(Cl)c(Cl)c1 409087977 DGMHVHMGOCORLP-UHFFFAOYSA-N 499.135 6.006 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2ccccc2Cl)c(Cl)c1)OCO3 409108167 VUEKRVPVDSPXDO-HSZRJFAPSA-N 467.308 5.519 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OCC)c1OCc1ccc(Cl)cc1Cl 409190097 WHOJFDLEPHCLMA-BKUYFWCQSA-N 499.438 6.665 50 40 JKGB C=C(/C(C#N)=C/c1cccc2ccccc12)N(Cc1ccc(Cl)cc1Cl)c1ccccc1N 409336025 PRJOEKVPSZYRAO-HZHRSRAPSA-N 470.403 7.856 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(F)c3)n2-c2ccc(Cl)cc2)cc1 1770743 CUBTZKSBIUAQAC-MZJWZYIUSA-N 479.968 5.278 50 40 JKGB Cc1cccc(N/C(SCc2ccc(Cl)cc2)=C(/C#N)S(=O)(=O)c2ccccc2)c1 2689718 QVBVWQHSKNUVQU-GHVJWSGMSA-N 455.004 6.160 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1C(F)(F)F 2807704 VUABVZXBIZZVAD-GHRIWEEISA-N 470.834 6.124 50 40 JKGB CCOc1cc(/C=N/NC(=O)NC2CCCCC2)ccc1OCCOc1ccc(C)c(C)c1 9299701 BYXGHZQZFALQGP-OVVQPSECSA-N 453.583 5.126 50 40 JKGB CCOc1ccc(N2CSC3=C(C#N)[C@@H](c4c(Cl)cccc4Cl)CC(=O)N3C2)cc1 9693561 ILNRARPMGKRFOD-INIZCTEOSA-N 460.386 5.612 50 40 JKGB CCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(SC)cc2)/C(=C\c2ccc(SC)cc2)C1 13739560 PVCDLYMFCPBXAU-NAJSETDRSA-N 461.656 5.611 50 40 JKGB Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCCC(C)C 13810352 RLJJPSYUXMVODY-OXIKZWMZSA-N 498.627 5.475 50 40 JKGB CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 16736001 LLERODCSCWBYEF-FBMGVBCBSA-N 498.970 5.983 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C\c1cn(Cc2ccccc2Cl)c2ccccc12 20034080 YKNPJEINLMECLK-MNDYBZJGSA-N 468.944 5.420 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(C)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 30735526 HWTJGNKACASSLY-YKQZZPSBSA-N 497.668 6.091 50 40 JKGB CCCN(CCC)c1ccc(/C=N\NC(=O)COc2c(C)cc(C)cc2Br)cc1 30900893 GNRAUXNPAXONBN-MYYYXRDXSA-N 460.416 5.221 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1OCc1ccccc1 33386737 ZTIQFEJTUARVOC-OCSSWDANSA-N 488.971 6.243 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1C 59101640 GACTUHUGBIPTDP-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1OCc1ccccc1 59117361 VBLLYUYEPNUPEF-LDADJPATSA-N 453.325 6.127 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Cl)cc1Cl 59201380 UTTKWMIOQFUXOD-NDENLUEZSA-N 481.379 6.825 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C)cc1 59297047 PRLJJIWCDTUVHE-UDWIEESQSA-N 466.459 6.147 50 40 JKGB CC/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(OC)c(OC)c1 59473628 LZOQRRZWPUPBDD-HPNDGRJYSA-N 469.006 6.194 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 59485179 RTQLSOWMHFFSTP-NDENLUEZSA-N 468.778 7.144 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c(C)c1 59679523 PVIGKWHGOVAUQI-GDNBJRDFSA-N 487.806 7.009 50 40 JKGB CCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)F 103528508 HOHBKSLTRIGPNU-INIZCTEOSA-N 470.348 8.469 50 40 JKGB Cc1cc2c(cc1/C=N/NC(=O)COc1ccc(Br)cc1)[C@H](C)CC(C)(C)N2C(C)C 223592166 IFQGYJZZGLAUBA-BLNASNEQSA-N 486.454 5.787 50 40 JKGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 408590871 QWPMUFPMUGRYQM-BHGWPJFGSA-N 461.305 5.082 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1 408599718 YZGFFQLDFOJSTB-GRSHGNNSSA-N 458.772 7.689 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(Cl)cc1Cl 408676447 IUHOEWHRORSOBE-JFLMPSFJSA-N 455.389 5.765 50 40 JKGB Cc1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3cccnc3)c2-c2ccccc2)cc1 408731080 IVCVLRWVWKBARN-QXPFVDMISA-N 456.549 6.279 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)ccc3Cl)c2C)cc1 408742580 AZFJXAJTXQSMLW-UNOMPAQXSA-N 463.921 5.390 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 408787744 FQRHXHSJHOLUTF-UDWIEESQSA-N 481.379 6.825 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 408801518 UKQWMJSJZOXBIY-HKOYGPOVSA-N 484.555 7.132 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)Nc1ccccc1Cl 408814226 OJXPAFKMMNIVHN-HMMYKYKNSA-N 456.904 6.757 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 408818798 YYUJAOWDMIWZQH-NDENLUEZSA-N 495.348 5.399 50 40 JKGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c1 408831464 VTEODRNQFOCZBQ-MZJWZYIUSA-N 453.007 5.919 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Cl)c(Cl)c1 408857188 LIVJVZFBMKSQRG-WKIKZPBSSA-N 469.324 6.091 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1OC 408863503 NAXWRHLHJCNEGU-RDRPBHBLSA-N 454.526 5.129 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(OCc2ccccc2Cl)c1 408887892 UQMAFLJCDICMKC-LDADJPATSA-N 497.776 6.236 50 40 JKGB CCc1ccccc1NC(=O)N/N=C\c1cc(Br)c(Sc2ccc(C)cc2)o1 408908410 CGQYNYAAGUOVMU-QRVIBDJDSA-N 458.381 6.220 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 408923527 JHORDLXBQIOBFW-REZTVBANSA-N 469.328 6.163 50 40 JKGB O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccco1 409001445 VUQSMWPCXSOSSF-FSGOGVSDSA-N 465.940 6.822 50 40 JKGB C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 409045364 INKFONDOLSFDJU-OQLLNIDSSA-N 474.152 5.078 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1OC 409315810 KRDTVBRZSOJYQP-YUMHPJSZSA-N 450.922 5.256 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccccc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 409365634 RCXGTDZYIYVABU-MTDXEUNCSA-N 452.514 5.362 50 40 JKGB O=C(N/N=C/c1ccc(Cl)s1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 2057440 OOJSJZPKGONIMH-NDZAJKAJSA-N 482.008 7.290 50 40 JKGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1sc2ccccc2c1Cl 2678450 FHJCPCJZSIJCKQ-DHRITJCHSA-N 462.987 6.233 50 40 JKGB O=C(COc1ccc2ccccc2c1Br)N/N=C/c1c(Cl)cccc1Cl 3167413 DIZGRRCUDIEJHG-AUEPDCJTSA-N 452.135 5.438 50 40 JKGB C[C@@H]1CCc2sc(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)cc2C1 3380788 OPJZHKFLMAXIFA-IUUQDGFPSA-N 480.593 6.236 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 4196198 FBSQFGOCSJAOBZ-LDADJPATSA-N 453.325 6.127 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccccc1 4196443 WOYHDUYNTIRAEZ-XDHOZWIPSA-N 463.331 5.582 50 40 JKGB CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3cccc(Br)c3)ccc21 6135660 VAEWTCDXNRMMMS-LQKURTRISA-N 491.389 5.711 50 40 JKGB N#CC1=C(SCC(=O)Nc2cccc3ccccc23)NC(=O)C[C@H]1c1cccc(Br)c1 9087499 JMRNYTBVLZTEFT-IBGZPJMESA-N 492.398 5.313 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 9204802 OSAYSNNGGLSOMU-MUFRIFMGSA-N 491.360 6.013 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(F)cc3)N(c3ccc(F)cc3)C2=O)cc1 9209499 HVRJDXHLLAPYRT-QPQMVVSWSA-N 475.520 5.338 50 40 JKGB N#CC1=C(SCC(=O)N(c2ccccc2)c2ccccc2)N=C2CCCC(O)=C2[C@@H]1c1ccco1 13189472 PLIJRPALLUCRFH-SANMLTNESA-N 481.577 6.647 50 40 JKGB COc1cccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c1 14134346 PDAFUJAVJXLZGU-UVHMKAGCSA-N 452.341 5.769 50 40 JKGB CC1=C(/C=C/[C@@H](C)/C=N/NC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)C(C)(C)CCC1 18192175 CVFWIKZCLRWJCE-XJDHHOCSSA-N 474.048 7.923 50 40 JKGB CCOc1ccccc1[C@H]1C(C#N)=C(SCc2ccccc2)NC(C)=C1C(=O)Nc1ccccc1 19879988 DCKWFYRVVSLHHA-MHZLTWQESA-N 481.621 6.353 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 20240681 LBFOCAUKPDSIKE-AWSUPERCSA-N 482.672 5.751 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccs2)cc(Br)c1OCc1ccccc1C#N 32125181 QANZXAONSSAAEZ-DHRITJCHSA-N 484.375 5.124 50 40 JKGB CN(C)c1ccc(/C=N/NC(=O)CN2CCn3c4c(c5cc(C6CCCCC6)ccc53)CCC[C@H]42)cc1 57156130 XXFLRZUYQOCOCH-XIOXGIFKSA-N 497.687 5.598 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)C(c1ccccc1)c1ccccc1 59410684 FAECWIWBRLLAFF-NDZAJKAJSA-N 454.957 6.201 50 40 JKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(CSCc2ccccc2)cc1 59473713 MMTABEVYAMQBRN-ZCTHSVRISA-N 460.602 7.190 50 40 JKGB COc1cc(C)c(/C=C/C(C)=C/C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1C 59546482 FBJRLPIRENQIND-OVSCGYIVSA-N 491.635 7.574 50 40 JKGB CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cs1 72117939 URGCXISHIOMCLV-ZSOIEALJSA-N 490.894 6.046 50 40 JKGB C/C(N)=C(\C#N)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1C(C)C 103087532 IVAAQIFZPACUCU-CYVLTUHYSA-N 451.983 5.129 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1cccc(C)c1 408549841 ABDRSDNYQDTOTJ-YSMPRRRNSA-N 498.420 7.953 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OC(C)C 408568379 JFWBTZCXNFOXSS-MLPAPPSSSA-N 477.277 5.167 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1ccccc1I 408599422 UQHQZQVMMKJNOI-WQRHYEAKSA-N 458.730 6.416 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3c(O)ccc4ccccc34)cc2-c2ccc3ccccc3c2)cc1 408726756 UBJGCIFSRRMRJK-FMFFXOCNSA-N 496.570 6.624 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(Br)cc1 408737197 AFZUKXQMWQKDTB-LFIBNONCSA-N 466.247 6.122 50 40 JKGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)c1 408763901 PUANWBPQJUKGCU-JAIQZWGSSA-N 492.373 5.497 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1cccc(C)c1 408796402 OUUFWMCWCFQECR-VXLYETTFSA-N 467.352 6.435 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccccc1F 408808059 DPJHRJOHOGJIJU-LDADJPATSA-N 451.295 5.713 50 40 JKGB Cc1cc(/C=N/NC(=O)Nc2ccccc2)cc(C)c1OCc1ccc(Br)cc1 408842977 CNGQFKIQZICJDQ-AFUMVMLFSA-N 452.352 5.801 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCc1ccccc1Cl 408900915 ZBHNYMPGMRAWIF-LICLKQGHSA-N 487.770 6.780 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1cccc(C)c1 408961408 CABZVJJFBFNJQT-WKULSOCRSA-N 456.464 5.755 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc(Br)ccc3O)o2)cc1Br 409142099 BESYQRQTNWJMSN-LSHDLFTRSA-N 478.140 5.250 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C 409256155 JZKLEHPNALKQJH-NDENLUEZSA-N 489.959 5.529 50 40 JKGB CCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC 409318690 XCPDQPMLCNINMI-NTFVMDSBSA-N 482.964 5.489 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c1 409370711 TXXDHABFZYAVFQ-HMAPJEAMSA-N 469.541 5.265 50 40 JKGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c1C 409383078 REOBXAYZOLJHQP-XYGWBWBKSA-N 479.540 5.765 50 40 JKGB CCOC(=O)[C@@H]1[C](n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccco3)c2C)SC2=C1CCCC2 409415812 QPMWLYDHSJYKFJ-FOYGFLCZSA-N 478.594 5.013 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)ccc1OCc1ccc(Cl)c(Cl)c1 664656 JBBMRLGMJMKRPN-FQEVSTJZSA-N 499.398 5.820 50 40 JKGB COc1cc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c(C(C)=O)cc1OC 1775645 VBJMFNSZQRDKOF-RVDMUPIBSA-N 484.375 5.769 50 40 JKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(c3)c3ccccc3n4CC)n2)cc1 2302742 ZTWKENAYAJBQQK-LVZFUZTISA-N 464.594 7.313 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1nc(-c2cccs2)cs1 3207657 YLJBUCAHMRADGD-XYOKQWHBSA-N 472.378 6.984 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3232207 OLSUEPFENWETLO-GZTJUZNOSA-N 491.296 7.137 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 3232210 NUMOSKWGVNDRRP-RQZCQDPDSA-N 457.744 6.771 50 40 JKGB CCn1c2ccccc2c2cc(N/C=C(\C#N)c3nc(-c4cccc(OC)c4)cs3)ccc21 9046195 WMQNRXOAPZESLD-KNTRCKAVSA-N 450.567 6.923 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9057380 NTSLMPNTYSYYOC-LFIBNONCSA-N 482.279 5.666 50 40 JKGB COc1ccc2[nH]c(/C(C#N)=C/c3cc(Cl)c(OCc4ccc(C(=O)O)cc4)c(Cl)c3)nc2c1 9263682 GSAJEAQKHIFQSZ-CAOOACKPSA-N 494.334 6.220 50 40 JKGB COc1cccc(-c2n[nH]c3c2[C@H](c2ccc(OCc4ccc(F)cc4)cc2)C(C#N)=C(N)O3)c1 9281044 KEXHVLDIRNQUEX-HSZRJFAPSA-N 468.488 5.022 50 40 JKGB COc1ccccc1/C=C\C=N\NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1 9762463 HYVKXMGKIVEUTB-RFKQTCSKSA-N 470.645 5.055 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccc2c(c1)OCO2 9886325 BCLOUXXUEUXVBQ-LUOAPIJWSA-N 466.324 5.489 50 40 JKGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 13322241 QPKXUMFMXFCAIA-WOJGMQOQSA-N 488.348 5.560 50 40 JKGB CCn1c(SCC(=O)N/N=C(\C)c2ccc3ccccc3c2)nnc1-c1ccc(C(C)(C)C)cc1 13940954 QWTDEHZDTTVCTK-VUTHCHCSSA-N 485.657 6.048 50 40 JKGB CCOC(=O)c1csc(N(NC(=O)Nc2ccc(Cl)cc2)C(=O)Nc2ccc(C)cc2)n1 16956813 NKSRTZNXVFJQAC-UHFFFAOYSA-N 473.942 5.057 50 40 JKGB CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)c2nc3ccccc3s2)cc1 26779663 YSGWITHEWNRTSW-SILNSSARSA-N 492.629 7.051 50 40 JKGB COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)c(OC)c1 27563273 MCMJACROGWKPHT-HNTIPGDBSA-N 475.928 6.049 50 40 JKGB C/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cc2ccccc2o1 35376829 GRUBWQXXSHXYMQ-MYYYXRDXSA-N 467.934 5.041 50 40 JKGB COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)COc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 36080545 AZFDNXLZMYYWOJ-PBSQBQITSA-N 497.595 5.450 50 40 JKGB CCOc1ccc2nc(/N=C(O)/C(C#N)=C/c3cccn3CCOc3ccccc3OC)sc2c1 41120800 TYHSUZJYMRDDKF-OBGWFSINSA-N 488.569 5.779 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccc(Cl)cc1 59266331 GZTPZTQXMYSBNE-CJLVFECKSA-N 496.950 6.657 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(C)c2)cc1 59296925 QDUNEPJIEOLXGE-HYARGMPZSA-N 475.386 6.445 50 40 JKGB FC(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103528920 ZOLILARMVLMSRP-UWTATZPHSA-N 491.988 5.846 50 40 JKGB O=C(CC(=O)Nc1ccccc1)N/N=C/c1cc(/N=N\c2ccc(Br)cc2)ccc1O 104303871 HTRFOVNXRDBPGG-JAYUVETPSA-N 480.322 5.049 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(C)cc1 408725520 LBJREHFUTPDVOZ-BKUYFWCQSA-N 491.385 6.281 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCc1ccccc1 408795452 LFVOURFYXBUGHJ-CIAFOILYSA-N 491.385 6.199 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2c(C)n(Cc3ccccc3C#N)c3ccccc23)cc1 408817971 XGTRHSVZTWPZAG-IWIPYMOSSA-N 460.537 5.102 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1c(C)cc(C)cc1C 408819019 WINJHIPKNWAGKU-BHSKHCGUSA-N 454.570 5.984 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OCc1ccccc1 408836787 VMWJXGUQZIDVAM-UDWIEESQSA-N 492.959 5.881 50 40 JKGB Cc1ccc(Cn2cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c3ccccc32)cc1 408848100 PMWRBRDNSDOOEW-MUXKCCDJSA-N 486.369 6.271 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1Cc1cc(C)cc(C)c1 408867006 JMOMAGIHZYCJLB-RGVLZGJSSA-N 491.385 5.917 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2cn(Cc3ccccc3F)c3ccccc23)c(OC)c1 408875766 HNRQAMGCLHXSRQ-FYJGNVAPSA-N 469.516 5.069 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccccc1F 408905133 UDERNQFLDDGTGA-VYYCAZPPSA-N 477.448 5.222 50 40 JKGB Cc1c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1ccc(Cl)cc1 408964450 RRFQGHNIUQCNRL-AMVVHIIESA-N 469.894 6.434 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 409039305 CKEMJLSZQJAWQC-GZTJUZNOSA-N 466.324 5.557 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1Cl 409141786 IYLXDQHSRBOJHX-NRFANRHFSA-N 471.340 5.396 50 40 JKGB COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3ccc(Sc4ccc(C)cc4)cc3)oc12 409240602 UPKAZXSSCNQNNM-AFUMVMLFSA-N 461.499 5.573 50 40 JKGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1Br 409255061 XRLCUOYREPMOQW-AYCSXLNKSA-N 488.179 5.008 50 40 JKGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3ccc(C(C)(C)C)cc3)o2)ccc1Cl 409259184 XVZCNSQVTILXDS-LQKURTRISA-N 466.965 5.767 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(I)c1OC 409333991 KSYNUOLPSFPMKT-BOPFTXTBSA-N 455.295 5.916 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccccc1 1896605 CJWCSDFHXDXNTL-MFKUBSTISA-N 453.999 5.346 50 40 JKGB Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)o1 2269202 UMKYTTUEMONVFK-JVWAILMASA-N 473.602 5.376 50 40 JKGB Cc1cc(C)c([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(F)cc1Cl 2730534 PBROHSRWLHJUEW-HFZDXXHNSA-N 486.978 6.269 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1cccs1 8817284 BZERYLRYNCRQAO-HMAPJEAMSA-N 470.670 5.678 50 40 JKGB COc1ccc(Br)cc1[C@H]1CC(=O)N2CN(c3ccc(Cl)cc3)CSC2=C1C#N 9693480 QFVQBGSQTWDLTK-MRXNPFEDSA-N 490.810 5.331 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccccc1 13943223 KTIJKURYBUFFJF-OOAXWGSJSA-N 455.587 5.184 50 40 JKGB CCN(CC)c1ccc([C@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3Cl)C3=C2C(=O)CCC3)cc1 15218668 PIHYIMDEFWXBLH-DEOSSOPVSA-N 491.979 5.399 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(I)c1)c1ccc2ccccc2c1 33581465 SFLJWSPPZKELNM-OYKKKHCWSA-N 487.340 7.088 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)c1 33637809 LEBGTHDFDFJANQ-RWPZCVJISA-N 461.949 5.433 50 40 JKGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(OC)c1 33760816 RRSXVIVZGAMOGC-UVHMKAGCSA-N 489.355 5.362 50 40 JKGB COc1cccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c1OCC(=O)Nc1ccc(C)cc1 35086500 KGPPNACATQWTQJ-ZHZULCJRSA-N 452.514 5.270 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c1 59336345 RZQUUJAKYKKDAP-UNOMPAQXSA-N 482.367 6.123 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Cl)c(Cl)c1 59676728 ZLTIHNZMELUXIK-RCCKNPSSSA-N 479.411 5.657 50 40 JKGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 67321640 MYIRVKFXDUJNEP-JCQDXSQZSA-N 488.547 6.325 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccc1 96663172 SBQWUNRGKBLXGZ-ABLHTGRPSA-N 488.587 6.629 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c(C#N)c1C 107982665 WTZZBLJBXKJSRN-MHWRWJLKSA-N 489.509 5.300 50 40 JKGB ClC(Cl)=C(/N=C(/Cl)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 200183962 KFVVPWWZJJLJRS-GKPLWNPISA-N 495.797 7.270 50 40 JKGB CCCCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1 408540118 NGTPQEZSXNMFDN-JLPGSUDCSA-N 476.371 5.861 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc2ncccc2c1 408555174 WBEUDXRVVOCLLP-FYJGNVAPSA-N 477.593 6.000 50 40 JKGB CCCOc1c(I)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC 408580349 OSAJLXSHKVCCRV-OQLLNIDSSA-N 453.707 5.806 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1OC 408580429 PLNWJANZPPPVCH-YBFXNURJSA-N 468.322 6.249 50 40 JKGB Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Br)c1 408745804 VRZFIKYVFKFQNM-BKUYFWCQSA-N 461.359 6.191 50 40 JKGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccccc2Br)cc1 408759921 ODHMMIUYYCCALX-JXAWBTAJSA-N 489.325 5.417 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc3ccccc3c2)c1 408762030 CAHWAARUZJTWJV-PXLXIMEGSA-N 484.533 5.162 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Br 408787479 AQCBLNOGKPLOOY-NTUHNPAUSA-N 494.570 5.423 50 40 JKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)c1 408788256 DDBAHQLBZPDOBF-MTJSOVHGSA-N 456.498 5.327 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc(F)cc1 408792891 BVYINLJLUSKQBK-WOJGMQOQSA-N 466.896 5.708 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1 408795475 LHZCXKDOAMYASS-FYJGNVAPSA-N 460.917 5.560 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1cccc2ccccc12 408801642 VCNIZIREIZZMFY-AJJPPYBESA-N 468.597 6.419 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 408807348 HHWURTKQDPCWTK-LDADJPATSA-N 459.908 6.036 50 40 JKGB CCOc1ccc(Cl)cc1/C=N/NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 408824146 PSAAAWBSTRBXKD-ULPGGUMISA-N 492.019 5.162 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)c(Cl)c3)c(C)c2)c1C 408860602 ZTRQMWJDZARAMH-WSDLNYQXSA-N 479.407 7.352 50 40 JKGB N#C/C(=C\c1c(OCc2cccc(F)c2)ccc2ccccc12)C(=O)Nc1ccccc1Cl 408883606 VRVJYUXIJXZYAM-HMMYKYKNSA-N 456.904 6.757 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1Cc1ccccc1F 408884589 UXUYSVNARYJULJ-UDWIEESQSA-N 493.376 6.432 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Cl)c1OCc1ccccc1 408885014 ZQRFRMUYTKSBFE-VXLYETTFSA-N 477.904 5.690 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1c(Cl)cccc1Cl 408897132 VZKWONRQPALBJZ-OKCVXOCRSA-N 493.390 6.888 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1cc(C)cc(C)c1 408898581 XEBXFDQQIVQIHT-ZMOGYAJESA-N 489.015 7.097 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1 408922870 HDVUAPDRMWMUHI-DHRITJCHSA-N 496.386 5.412 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 408948938 HLDRCBRTSMSVKH-JCMHNJIXSA-N 489.535 5.345 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OC 409041376 VJMAJQOZOMNWIO-NTFVMDSBSA-N 459.933 5.726 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Cl)c1OCc1ccccc1C#N 409055405 YGXOICYTZYHBSO-XODNFHPESA-N 468.340 5.525 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1 409067666 QNNZXRWZZQHUTJ-VCHYOVAHSA-N 467.308 5.816 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1F 409212714 PVNYZTNLSBJGLS-ODLFYWEKSA-N 497.320 6.538 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2C)cc1 409272760 SHBDUIYMSTZQOU-MOSHPQCFSA-N 489.959 5.529 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c(C)c1 409370213 NAAIZZZZKWUHGI-XDHOZWIPSA-N 477.923 5.659 50 40 JKGB Cc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 409391620 KFGYHPMHAGOSEH-OCSSWDANSA-N 476.407 6.683 50 40 JKGB CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(OC)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 713367 GKLXONSTPIDDSL-AREMUKBSSA-N 470.617 5.482 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(Br)cc1F 867468 SFTLIBBYXSHHAS-DHZHZOJOSA-N 480.120 6.701 50 40 JKGB CC(/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)=C\c1ccco1 2337130 HPKPFWGGTPETNL-SZNNBBDXSA-N 492.004 5.787 50 40 JKGB O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(COc2ccccc2-c2ccccc2)cc1 2631893 SBBLZRISOTYXRT-STBIYBPSSA-N 485.927 6.258 50 40 JKGB Cc1csc([C@@H]2C(=N)NC(SCC(=O)Nc3ccc(C)c(C)c3)=C(C#N)C23CCCCC3)n1 3440259 BJFJCYDDDSRVFG-NRFANRHFSA-N 479.675 5.790 50 40 JKGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 8448729 JMTPSXFSBCCNEQ-OBLFJAKHSA-N 455.385 6.805 50 40 JKGB O=C(N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccccc1Cl 9191769 VFFMZTCJRQUXDR-LUNPLWTBSA-N 478.983 6.460 50 40 JKGB O=C(N/N=C/c1cc(/N=N/c2cccc(C(F)(F)F)c2)ccc1O)c1ccc2c(c1)OCO2 12428613 QRPGMZNKQGFVPB-XOWVAOBQSA-N 456.380 5.319 50 40 JKGB biogenic,in-vitro Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OC(C)C 16700228 UJPUMTQZDCOQLG-UQQQWYQISA-N 476.580 5.858 50 40 JKGB C/C(=N\NC(=O)CC(=O)N(C(=O)c1ccccc1Cl)c1ccc(C)cc1)c1ccc(Cl)cc1 16957870 FUKGXORJGACBEE-OGLMXYFKSA-N 482.367 5.406 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)ccc1OCc1ccc(Cl)cc1 33738910 CTPXQNSALSZBRR-JFLMPSFJSA-N 468.937 5.099 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc5ccccc5c4)c(Cl)c3)[nH]c2c1 33740369 SOQLGDVERMJQJM-UUYOSTAYSA-N 484.386 7.975 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1ccc2ccccc2c1 33775223 WYSDMAZNZXKWKR-OYKKKHCWSA-N 493.994 7.720 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 33782417 CTEWOIZXSYUAJV-AQTBWJFISA-N 451.592 5.089 50 40 JKGB CCOc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)ccc1OCc1ccc(C)cc1 41120620 LHNRAXAUBLJJLT-KGENOOAVSA-N 469.566 6.778 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(C)cc1 59500476 ACNVBVXQSCOGDG-VYYCAZPPSA-N 471.340 5.684 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 59536133 CJDGVFRAUUVCPE-HZHRSRAPSA-N 452.941 6.926 50 40 JKGB CCOC(=O)/C(C#N)=C/c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 100206067 KCXGXWQWDOHTBI-YYDJUVGSSA-N 476.516 5.966 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1O[C@@H](C)CC 108070061 WWIFRKFVNHEDIK-ZXSUQFSISA-N 499.405 5.951 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1OCc1ccc(Br)cc1 408531871 OWRQQPQTODHWIJ-UNOMPAQXSA-N 499.202 6.863 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 408540925 CVGAWZRWBZFVPS-UUYOSTAYSA-N 494.374 7.072 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccccc1Cl 408566230 FIWATOQPMZXGDP-UXHLAJHPSA-N 472.972 6.164 50 40 JKGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1Br 408737828 HRMDMXNQCNRIQP-UVHMKAGCSA-N 498.764 5.082 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC)c(Br)c2)c1 408741499 MHQZGBIPWRQDAG-NTUHNPAUSA-N 480.156 5.165 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1 408745281 LBVBTDCXBMSINI-ATVHPVEESA-N 480.782 7.195 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 408784279 QBPWKLCPECUHJR-HMAPJEAMSA-N 471.513 5.735 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1ccc(Cl)c(Cl)c1 408807311 GZMUJWKZVIEQRX-UGPDPKQLSA-N 473.400 6.183 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C)c(C)c2)cc1 408813485 XSTMFTVZGOPXMF-OEAKJJBVSA-N 488.971 6.258 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1c(C)cc(C)cc1C 408814495 VSBWBEYIRVDXNS-HYARGMPZSA-N 458.533 6.274 50 40 JKGB N#Cc1ccccc1Cn1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21 408843876 GBAFVOFXLWPXIS-NUJZUDFISA-N 497.352 5.834 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408843992 HPYUKBYADFCBGZ-YBEGLDIGSA-N 454.313 5.645 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(C)c1OCc1ccc(F)cc1 408847864 WHXUVUXGTHQACA-UDWIEESQSA-N 468.450 6.586 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1Cc1ccccc1Cl 408877679 SWYDPYHDVIQIQX-XDHOZWIPSA-N 481.777 6.248 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1OCc1c(Cl)cccc1Cl 408884393 YXTYCTLTVHYDCB-WKULSOCRSA-N 479.363 6.498 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cc(C)cc(C)c2)cc1 408891278 NZXUNPJFHCENMV-BUVRLJJBSA-N 484.552 5.613 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)c1C 408893719 GYJJCFKFFJLRMD-XQNSMLJCSA-N 466.968 7.235 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)ccc1Br 408904327 HYQSIZXBTXBKOP-WGARJPEWSA-N 467.411 6.444 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(C)cc2Cl)cc1 409052993 VOFJEBWOTQRHMY-LGJNPRDNSA-N 471.782 6.062 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)c1nc2ccccc2o1 409067747 RBFUBJJOCZYAPF-WOJGMQOQSA-N 475.298 5.932 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409190591 ZWJSYDBFSYCWQM-UNOMPAQXSA-N 481.980 5.030 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2)cc1 409221534 RPWSCUSHZMQIBL-QKGRPYPVSA-N 475.592 6.458 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccccc1C#N 409237366 UAOYVFIDZLVBCB-OYKKKHCWSA-N 485.971 5.455 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 409363732 VWVMGORFJMPTES-VYYCAZPPSA-N 457.357 5.582 50 40 JKGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 409366818 YWCDKODNCSMKAP-KKMKTNMSSA-N 462.764 5.788 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)c2C)c1 409391054 HGFIQWHUEKROFE-AJBULDERSA-N 479.580 5.553 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(Br)cc1F 1096969 HPHBIJDGPLUJJV-BRJLIKDPSA-N 454.299 5.506 50 40 JKGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(C(C)(C)C)cc1 1788519 VRMQEKREXAIFHC-BUVRLJJBSA-N 496.028 6.563 50 40 JKGB CC(C)c1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)c3ccccc3n2)cc1 2109664 BAZPTYPCSIPEKH-WKULSOCRSA-N 462.380 7.096 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 2670209 WSPLHAJDJUAHSO-WKULSOCRSA-N 498.926 6.275 50 40 JKGB CC(C)(C)[C@H]1CCc2nc(NC(=O)/C(C#N)=C/c3ccc(-c4ccccc4Cl)o3)sc2C1 3207585 DOQOQCWWEOQVGF-STTHAQSSSA-N 466.006 6.753 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 8812689 GPYDJOPMPRPXFG-UVHMKAGCSA-N 496.792 5.878 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1 9075797 VJCSGMGQHWLFCD-MTDXEUNCSA-N 491.661 5.790 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 9263097 DANRFVVLRNBCBF-XDHOZWIPSA-N 470.916 6.105 50 40 JKGB Cc1n[nH]c(N2C(N)=C(C#N)[C@@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)c1-c1ccc(Cl)cc1 9290387 RKDUAKFHWGPWJY-XMMPIXPASA-N 484.003 5.979 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 32109611 KRPGTXJCSFLHEJ-ZMUHTPIZSA-N 468.384 5.507 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(OC)c1OCc1ccc(Cl)cc1 33572145 FOTGLFNDAJCYRI-HMAPJEAMSA-N 469.972 6.905 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccccc1Br 59333090 VXMQUVCCDRTFBV-XLNRJJMWSA-N 489.417 5.112 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 67196975 ADHOZEYGOWYUBK-OKCVXOCRSA-N 464.443 6.162 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 108158634 WEISNMIBMFYERI-PDGQHHTCSA-N 470.516 6.816 50 40 JKGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)COc3cccc(Br)c3)cc21 208248106 DFMMMNQSNLFWSW-NDUKVXLSSA-N 478.818 5.354 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 408580521 CDNPRYGGAKTZFP-UDWIEESQSA-N 462.933 5.747 50 40 JKGB O=C(N/N=C/c1ccccc1Cl)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1 408725998 RGHOYBQISGCYLK-RDRPBHBLSA-N 450.929 6.110 50 40 JKGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1C 408765010 YOPARXQBVZJROK-YVLHZVERSA-N 495.333 5.319 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OC(C)C 408808319 FNLISUZEKOKTKB-HYARGMPZSA-N 490.987 6.651 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1Cl 408826370 BZIWUPPQPMSBPV-XSFVSMFZSA-N 481.379 6.907 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1 408865254 CHBJWWXIQFJTND-XHLNEMQHSA-N 495.620 5.189 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1Cc1ccccc1Cl 408873930 XLKHRXWRSSFCIA-GIJQJNRQSA-N 485.798 7.100 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)cc1 408891525 RYGCVGDTXWWSBZ-LDADJPATSA-N 463.877 5.381 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2c(C)cc(C)cc2C)cc1)c1ccccc1 408976380 APPHVFINXQABHR-MLEMOKSJSA-N 487.600 5.518 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 409054187 SHCMRFXARXKWPK-XODNFHPESA-N 491.802 6.697 50 40 JKGB Cc1ccc(SCCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 409127892 RWVUWCYXIRIZOY-VULFUBBASA-N 460.430 6.342 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(C(=O)O)c1 409195988 XYHLNAKTNCAYCP-UVHMKAGCSA-N 487.339 5.433 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccc([N+](=O)[O-])cc1 409253267 WPZGRNQPZTXZFJ-OGLMXYFKSA-N 469.497 5.028 50 40 JKGB CCCOc1c(I)cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1OCC 409371139 BDEAOSCIFPPMCK-GDNBJRDFSA-N 473.314 5.419 50 40 JKGB CC[C@H](C)Oc1c(I)cc(/C=C(/C#N)c2cccc(F)c2)cc1OC 409393067 OUGBZVIFTDRQCO-TUTDSIAXSA-N 451.279 5.680 50 40 JKGB O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)N/N=C/c1c2ccccc2cc2ccccc12 1920510 OBHYVWNBELDMGV-JVWAILMASA-N 480.553 5.181 50 40 JKGB C[C@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C/c1ccco1 2097288 ZEVNRVUMYSQIFD-HJHSVFMCSA-N 496.596 5.257 50 40 JKGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)NC2=C1C(=O)CCC2 2310835 HCVPVTDIBLKVNZ-DEOSSOPVSA-N 494.016 5.540 50 40 JKGB N#C/C(=C/c1sc(N2CCOCC2)nc1-c1ccccc1)C(=O)Nc1cccc2ccccc12 2641867 RJMDFJAXXVSCFE-FXBPSFAMSA-N 466.566 5.346 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1 2682636 YAEOXZNALZZRAW-QZMYASAMSA-N 452.945 5.977 50 40 JKGB O=C(CSCc1ccccc1Br)N/N=C/c1ccccc1OCc1ccccc1 3112054 BGCCXVOCXDIGKS-AFUMVMLFSA-N 469.404 5.412 50 40 JKGB N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@H]1c1ccccc1Cl 9693165 RDHKUTFJKQCHOF-INIZCTEOSA-N 460.784 5.322 50 40 JKGB Cc1ccc(Cn2cc(/C=N/NC(=O)c3ccc(I)cc3)c3ccccc32)cc1 10118487 MGRFPMFMVXLFKC-VULFUBBASA-N 493.348 5.367 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)c1 12615173 ZKCNNZABIFVMRI-CWCGOZQBSA-N 484.600 5.229 50 40 JKGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1 13922083 VBVHNZDMUXAQSC-RWPZCVJISA-N 479.964 5.023 50 40 JKGB N#C/C(=C\c1cccc(Br)c1)c1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 27017197 UOLLBTNJRQQPKK-GXDHUFHOSA-N 482.384 6.544 50 40 JKGB CCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OC)c1 34799511 HQOMXTLLIDXHHY-QRQIAZFYSA-N 466.965 5.870 50 40 JKGB O=C(N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)C(=O)Nc1ccccc1Cl 59101863 SNKSKZZFKFZGMV-RPPGKUMJSA-N 476.747 5.315 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OC(C)C 59266332 HMWATHNTNXXHSU-OVCLIPMQSA-N 463.759 5.752 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 59282125 KWTJGQLEHWVOML-LICLKQGHSA-N 491.296 7.137 50 40 JKGB Cc1c(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 408569122 YWIXMDNPWWVICN-WKIKZPBSSA-N 481.339 5.977 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc5c(c4)C[C@@H](C)O5)cc3)cs2)cc1 408710755 IWDUCXCHQYLXAA-MUMMCSRCSA-N 468.582 5.949 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C)cc1 408725032 GIDFLSROADNOGA-BKUYFWCQSA-N 457.486 5.427 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(Cl)c1OCc1ccc(Cl)cc1 408808238 FHFYCDIJSZHJQB-MXYMETFWSA-N 487.427 6.573 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccccc1 408886758 LXTYRWYLJASNEE-UVHMKAGCSA-N 477.775 6.388 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)C(=O)Nc1ccccc1C(=O)O 408887190 MJKDFKGSKCLQHT-LICLKQGHSA-N 467.308 5.816 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1cc(C)cc(C)c1 408887788 UGYFTMNZWDDEFN-YDZHTSKRSA-N 474.988 6.789 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408922183 DUHLIYAOENBNJY-XSFVSMFZSA-N 483.911 6.526 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1Cl 408984901 UFKUIPUQOUWPPA-IDUWFGFVSA-N 489.761 7.219 50 40 JKGB CCCOc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1 409034824 OGNFBDKRRUNPGX-WPWMEQJKSA-N 456.571 6.106 50 40 JKGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1cc(-c2ccccc2)nc2ccccc12 409041680 JATGPKQOSRTFQO-CEUNXORHSA-N 479.540 5.564 50 40 JKGB COC(=O)c1ccc(C)c(-c2ccc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)c1 409047368 MKTDURLVROKWKW-MNBJERMJSA-N 489.531 6.021 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1 409073880 JCRFCAMQCGCKNP-RVDMUPIBSA-N 491.327 5.446 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)cc2c1 409186450 CDQUARHTUOSNBH-FDVSRXAVSA-N 486.597 5.815 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(Cl)c1)C(=O)NCc1ccccc1 409249249 GYTREHBMEZPLSU-YBFXNURJSA-N 480.351 5.234 50 40 JKGB COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1OC 409322136 IVGNTLDNCFWIOQ-PPDIBHTLSA-N 477.319 5.493 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2cc(C)ccc2C)cc1 636842 BVTGQWMIOKNOHA-UHFFFAOYSA-N 483.678 5.516 50 40 JKGB COc1cccc(-c2cc(C(=O)NNC(=O)Nc3ccc(Cl)c(Cl)c3)c3ccccc3n2)c1 647756 LHCOVRRIDQHETD-UHFFFAOYSA-N 481.339 5.684 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(C)c3)C(=O)N2c2ccc(Cl)cc2)cc1 935247 RHMMGHYHAGRFQW-FYAMCCBRSA-N 488.012 6.022 50 40 JKGB CC(C)(C)[C@@H]1CCc2c(sc3ncnc(SCC(=O)NNC(=O)c4ccc(Cl)cc4)c23)C1 1223120 ZIMCIKDEKBIXCD-CQSZACIVSA-N 489.066 5.049 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1nc(-c2cccs2)cs1 3207701 NHVIGWPYBVXDJQ-CPNJWEJPSA-N 466.591 6.420 50 40 JKGB O=C(N/N=C/c1cccc2ccccc12)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3208572 JMLFOBLIKGHYIP-WGOQTCKBSA-N 463.946 5.058 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OCc1ccc(Cl)cc1 3231313 RTOLGNDKABBVRP-OEAKJJBVSA-N 474.988 6.789 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3282882 AQXDYUCGQOZGMN-JFLMPSFJSA-N 497.935 5.304 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@@H]2c1ccc(C(C)(C)C)s1 3663341 QXBZDYZLYYOYIS-JOCHJYFZSA-N 499.602 7.005 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)c2cccnc2)c(OCc2ccc(Cl)cc2Cl)c1 6078441 FMKOHZHMZGFVJE-RWPZCVJISA-N 471.388 5.578 50 40 JKGB CC(C)(C)[C@@H](Br)C(=O)NCCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 8733047 TXXJFHAUYBOIDY-TVHGACNRSA-N 475.471 5.409 50 40 JKGB CCCCCCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(CC)cc2)cs1 9057848 VRVVOYNLFVSDIR-RELWKKBWSA-N 459.615 7.086 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3Cl)N(c3ccccc3)C2=O)cc1 9272662 GJTZINGSABFQQO-BDPHVXEFSA-N 473.985 5.713 50 40 JKGB COc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3C)C2=O)c1 9459733 GGBHRDMAZDDSCR-RAMZYJDASA-N 483.593 5.377 50 40 JKGB CCc1ccc(N2CSC3=C(C#N)[C@@H](c4cc(Br)ccc4OC)CC(=O)N3C2)cc1 9693455 CQFYETPTJKSFGC-GOSISDBHSA-N 484.419 5.240 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 9934441 DJFGEPXZCSCRSQ-WGOQTCKBSA-N 470.441 5.141 50 40 JKGB CC/C(=N\NC(=O)c1ccccc1OCc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1O 12660385 PTQOYJIFDQMYFO-NHFJDJAPSA-N 461.320 5.961 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1cc(C(F)(F)F)ccc1Cl 13128627 WWXSUDJSZAMIAT-CXUHLZMHSA-N 478.301 6.965 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 17699540 DFHSXHDJXKXLJV-QGOAFFKASA-N 457.530 5.646 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)OCc2nnc(-c3ccc(Br)s3)o2)c(C)n1CC(C)C 18955101 DUGGCBXJTFIQHD-LZYBPNLTSA-N 489.395 5.285 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1ccccc1 28216851 FAZZKPSFUQGRTK-ZCTHSVRISA-N 462.597 5.416 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccccc1 32654834 GQVXRYKUCCPXBW-YKQZZPSBSA-N 464.521 6.328 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)c(C)n1-c1ccc(Cl)cc1Cl 33958626 DNPZLAPFOIGJKJ-UVHMKAGCSA-N 452.341 6.024 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)c1cccc([N+](=O)[O-])c1 35155794 ZIDCNGIBTSATPE-MSXFZWOLSA-N 488.725 5.354 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C\c1ccccc1OCc1cccc2ccccc12 35494301 JIZCHTAKBFYYFM-QRQIAZFYSA-N 473.370 5.874 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1 59254475 DMTKYFDLWFIFAW-DEDYPNTBSA-N 479.349 6.275 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 59255078 SVHCSFMOGOQOIK-ZHZULCJRSA-N 462.933 5.872 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Br 59432715 TWQWKUNOVHMXMW-CXUHLZMHSA-N 490.195 5.939 50 40 JKGB O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccccc1 83306392 HMCYCENMVJETGG-QXPFVDMISA-N 475.979 7.229 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(O)CCCC3=N2)cc1Cl 102585182 KRHPJNPMYFSOKM-HSZRJFAPSA-N 498.435 6.943 50 40 JKGB CC(=O)Nc1cccc(C(=O)N/N=C/c2c(OCc3ccccc3F)ccc3ccccc23)c1 107955991 SXOUKPLGPFYISH-MUFRIFMGSA-N 455.489 5.280 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(F)cc1)c1ccccc1 207155946 GBTQZORBNKSAIA-OJSPLJLUSA-N 479.349 5.952 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)cc1 252490625 KXZWORFFUAWNHK-GXDHUFHOSA-N 452.264 5.471 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OCC(=O)O 408580030 MPLNLUAXCQDROI-VGOFMYFVSA-N 481.140 5.138 50 40 JKGB CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(OC)c(OC)c1 408581149 GSGYLEJZVKIECK-VGOFMYFVSA-N 467.157 5.692 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 408581611 JOVJUROEDMIYPW-RGVLZGJSSA-N 494.341 5.808 50 40 JKGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 408605737 MXCLVLWPXSGNSX-SFHVURJKSA-N 475.357 5.201 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)c(OCC)c2)c1 408743490 AOOWMZCWUJYRNS-STZFKDTASA-N 460.505 5.748 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OC(C)=O 408753863 KSWLLBNPAGWFDF-WOJGMQOQSA-N 479.330 5.472 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2C#N)c1 408790625 XJCHDRVMRKXRHS-WSDLNYQXSA-N 486.369 6.062 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 408798890 XECZGLZHZZHBQX-KGENOOAVSA-N 490.943 5.650 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)c(OCc2ccc(F)cc2)c1 408822084 AJFRKIDMKHDOSU-VCHYOVAHSA-N 496.922 5.630 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)cc1OC 408841305 FGKVXADQSAOSGZ-MZJWZYIUSA-N 493.972 5.588 50 40 JKGB O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 408857079 JLJBGFPPINXHNP-QNKGDIEWSA-N 488.635 5.020 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1Cc1cccc(F)c1 408873058 MMJDBFAPGRFOSZ-KGENOOAVSA-N 463.350 6.287 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2Cl)cc1 408876814 OCJHIAINAQSGDD-DEDYPNTBSA-N 465.336 5.916 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2OCc2ccccc2Cl)cc1 408878310 ACFDTKDLMRFTJH-RCCKNPSSSA-N 490.943 5.650 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1C 408878385 BACVSKKCECRQON-XQNSMLJCSA-N 450.513 6.720 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c(OC)c1 408880122 FVVCZESTYRTPBA-RGVLZGJSSA-N 497.378 5.813 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Br)cc1)C(=O)Nc1ccccc1F 408882014 PNXMGMDVNMGJIO-QGOAFFKASA-N 451.295 5.713 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1c(Cl)cccc1Cl 408889082 BLFRSNUDPFILJM-LUOAPIJWSA-N 498.193 6.652 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OCc1ccc(Cl)cc1 408893313 DTOMFJDPMDGNHN-XDHOZWIPSA-N 477.904 5.690 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 408960942 JWIWLLKBQKQJHI-RPPGKUMJSA-N 484.295 5.991 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)cc1 409067753 ZHUKYNYIBPUGBI-FOWTUZBSSA-N 474.879 5.769 50 40 JKGB Cc1cc(C)c([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1CSc1ccc(Cl)cc1 651026 ZNGYNUWRUZPVOD-OZXSUGGESA-N 485.056 6.843 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(Br)cc1F 867562 HDINOGBBOLNPNT-LDADJPATSA-N 451.295 5.713 50 40 JKGB CCc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(Br)cc1 1009252 SWXWHXIDFXHFAC-OAQYLSRUSA-N 485.403 5.467 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2N)cc(Br)c1OCc1ccccc1Cl 2946224 OSEMTXGCBKFIHY-RPPGKUMJSA-N 488.769 5.036 50 40 JKGB CC(C)(C)[C@@H]1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 8783221 PKPNCDBPQDISDP-MSTWOLGOSA-N 465.424 7.595 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1cccc2ccccc12 9067803 FUTWWFCROJGJOW-MFKUBSTISA-N 499.086 6.270 50 40 JKGB Cc1cc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccnc2)c(C)n1-c1ccccc1 9224350 QCCOCWSNZLPLSE-UXHLAJHPSA-N 460.541 5.106 50 40 JKGB Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 13770154 WYVSQOYOLDKFOH-QPQMVVSWSA-N 491.975 5.853 50 40 JKGB Cc1cc(OCc2ccc(C(=O)NNC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)cc2)ccc1Cl 14128803 OAJBQAUOHFXCMR-UHFFFAOYSA-N 487.987 5.662 50 40 JKGB CC(C)(C)c1ccc2[nH]c3c(cc(NCCCCl)c4c(=O)c5ccccc5c(=O)c43)oc2c1 15276690 WAEKDJKTDLEDQJ-UHFFFAOYSA-N 460.961 6.279 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 27018696 GOSBPXAJLPPVAZ-ZUGOUDHMSA-N 476.580 6.112 50 40 JKGB N#CC1=C(N)N(c2ccc(OC(F)(F)F)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc2[nH]ccc2c1 31819805 DMEDGEIVBLGMIA-QFIPXVFZSA-N 464.447 5.371 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccccc1Cl 33498439 GRCDQKBRXYQMNT-UCQKPKSFSA-N 474.944 7.019 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 48573778 QXZKPOWFFZSZDW-JVWAILMASA-N 461.518 5.244 50 40 JKGB COc1cc(/C=C(\C#N)c2cccc(Br)c2)ccc1OCc1ccc(C(=O)O)cc1 59565798 QZOVXCMSSZAIIG-RGVLZGJSSA-N 464.315 5.799 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 96930604 YTVNVYKUTDVKCL-PDGQHHTCSA-N 481.321 5.721 50 40 JKGB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)C(Cl)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 118924983 IAZKUQHFBGEWGA-WFTGIVLKSA-N 497.591 8.743 50 40 JKGB CCn1c2ccccc2c2cc(NC(=O)CCC(=O)NNC(=O)c3ccc(-c4ccccc4)o3)ccc21 199423890 MRKNDCQOMLHWPO-UHFFFAOYSA-N 494.551 5.254 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 209656278 RNXIXXQNZRQUPS-LCYFTJDESA-N 468.365 6.611 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 408537502 FRPCNNXWSIGEDB-BOPFTXTBSA-N 457.914 5.762 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(Cl)cc1 408549741 XZPBPMAVGVNVAC-CFRMEGHHSA-N 474.387 8.188 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(OC)c1OCc1ccc(C)cc1 408569291 MXAYMGPPDVFVIZ-XKZIYDEJSA-N 453.517 6.391 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1c(Cl)cccc1Cl 408784446 BYGMIBQSSQXDJY-WJDWOHSUSA-N 487.770 6.780 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408796267 NMXYIBNWBGQWEO-KOEQRZSOSA-N 494.978 7.044 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C)c(C)c3)c(OC)c2)cc1 408800110 KNXKSHUTFOKFPP-LPYMAVHISA-N 490.987 6.489 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(C)c(C)c1 408876181 JSCOTZIVRVZIJB-OEAKJJBVSA-N 489.413 6.753 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)c(Br)c2)cc1 408890278 QTGTVNCVSOSICR-FYJGNVAPSA-N 491.385 6.199 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c([N+](=O)[O-])c1 408921718 BKYVCVBYMMJYBV-LICLKQGHSA-N 450.882 5.210 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1 408926764 YHYVYFQBJUNXFN-UDWIEESQSA-N 473.359 7.271 50 40 JKGB Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2ccccc2)cc1 408996502 IHDNTGRHSYYGCA-NDZAJKAJSA-N 477.520 5.230 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccccc2)o1)C(=O)Nc1ccc(Cl)cc1 409002127 MGFKWVPGOVJYQX-RAXLEYEMSA-N 459.752 6.392 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCc1ccccc1 409022737 RJHDBWCYMDVAMI-MUXKCCDJSA-N 483.351 6.481 50 40 JKGB CCCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)c2cccc(C)c21 409038446 VKPHAVDUNOULPO-MZFJOGFUSA-N 490.607 6.656 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4cccc(C(=O)O)c4C)c3C)cc2c1 409187091 LWLBDBASARCIFW-VYYCAZPPSA-N 459.502 5.010 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC 409324252 RUDLFPWWFSDEGE-NTFVMDSBSA-N 482.964 5.489 50 40 JKGB O=C(CN1c2ccccc2Sc2ccccc21)NNC(=S)Nc1ccc(Cl)cc1Cl 642421 VQDFHPREYWTVSZ-UHFFFAOYSA-N 475.426 5.614 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccn3C)nnc2-c2ccc(C(C)(C)C)cc2)cc1 1242077 QRCDEIGPEMNZMM-OGLMXYFKSA-N 486.645 5.121 50 40 JKGB CCOC(=O)C1=C(CSc2ccc(C)cc2)OC(N)=C(C#N)[C@H]1c1cccc(Cl)c1Cl 2319359 YBPQPIPYQYSOJD-LJQANCHMSA-N 475.397 5.719 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(C#N)cc1 2864220 ZIZQKNZSUCVNSF-RGVLZGJSSA-N 460.287 5.872 50 40 JKGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3232170 LNHPATYCLVPCTD-MDWZMJQESA-N 485.687 6.232 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)c3ccccc3c2=O)cc1C 8857158 INTRHXXEESFMCB-UVHMKAGCSA-N 465.340 5.073 50 40 JKGB COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccccc4O)cc3[C@H]3C=CC[C@@H]32)cc1 9010262 IKEZOTBPZRETAX-IPXRJYELSA-N 481.552 5.159 50 40 JKGB Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 9200703 YHCGWUBCXZGWTM-LQKURTRISA-N 473.370 6.254 50 40 JKGB COc1cccc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1 9339712 CBBMGVREUKZZLM-SDNWHVSQSA-N 480.343 5.664 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc4ccccc34)n2C2CCCCC2)cc1 9428627 LIUKRMJCJPXRPA-RDRPBHBLSA-N 483.641 6.154 50 40 JKGB O=C(N/N=C/c1cccc(OCc2cccc(Cl)c2)c1)c1ccc(I)cc1 10118615 GQCHSMODCMFEAU-ZMOGYAJESA-N 490.728 5.288 50 40 JKGB CN(c1ccccc1)c1ccc(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)cc1 12530203 GVKUWARBDREIHA-NLRVBDNBSA-N 490.610 5.081 50 40 JKGB COc1ccc(/C=C(/C#N)c2nc(-c3ccc(-c4ccc(Cl)cc4Cl)o3)cs2)cc1 12951757 ISPXDGRAHAWPPQ-GDNBJRDFSA-N 453.350 7.450 50 40 JKGB C/C(=N\NC(=O)c1ccc(OCc2ccccc2)cc1OCc1ccccc1)c1cccc([N+](=O)[O-])c1 14922306 UHHPHMXEGCGGQB-MWAVMZGNSA-N 495.535 5.907 50 40 JKGB N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@H]1c1ccsc1 14944149 XBIVJLFVAVJWTE-NRFANRHFSA-N 477.387 5.710 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3[N+](=O)[O-])c2C)c(C)c1 20195448 KHCCQDJFLKKNNU-DHRITJCHSA-N 483.366 5.074 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2c(C)cccc2C)N1 28627731 PHHZQRVVNYAWDP-RUZDIDTESA-N 498.608 5.603 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Br 33713590 RMIYORYIMDZTRP-WSDLNYQXSA-N 475.368 5.182 50 40 JKGB O=C1OC(=O)[C@@H]2[C@@H]3c4ccccc4[C@H](c4cc5c(cc43)C3c4ccccc4C5c4ccccc43)[C@@H]12 104201010 GKTGYQBTOQNKNB-SVSGTKJJSA-N 452.509 5.580 50 40 JKGB COc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(Cl)c1OCc1ccc(Cl)cc1 107561087 KESFVVMXXHXXFG-WYMPLXKRSA-N 485.458 5.617 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 209487420 ZITNYJXJPBNBIS-KEBDBYFISA-N 472.799 7.997 50 40 JKGB COc1cc(/C=C/C(=O)Cl)cc(I)c1OCc1ccc(Cl)c(Cl)c1 226336614 UJPCDVHOSPTMFQ-HWKANZROSA-N 497.543 5.964 50 40 JKGB O=C(COc1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 408527347 MWNSOCSPWXUWMP-DHRITJCHSA-N 473.754 5.211 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OCC)c1OCc1cccc2ccccc12 408540850 CCXZGTUGJJWSDW-VEILYXNESA-N 489.571 7.308 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccc([N+](=O)[O-])cc1 408565867 BTTSXCJUJYFZGR-MSXFZWOLSA-N 488.725 5.354 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 408570772 YIRWEAFFDLHTRR-MFOYZWKCSA-N 490.922 5.754 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc(Cl)cc3)cc2-c2ccc(-c3ccccc3)cc2)cc1 408724954 NGVGDISNGJWZOG-UZWMFBFFSA-N 490.994 6.932 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3)c(OC)c2)c1 408744409 FLJMBVKQMDSCCP-NDENLUEZSA-N 462.933 5.872 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 408758908 UOJQHOLTBFVHIJ-OEAKJJBVSA-N 483.365 6.727 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 408765320 LCWRZHBYCHFRGG-CCVNUDIWSA-N 489.919 5.607 50 40 JKGB Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1C 408776372 ZNBGAZRGXMNOTO-LGJNPRDNSA-N 453.384 5.036 50 40 JKGB CC(C)NC(=O)/C(C#N)=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 408787271 WFUXDZAVJBQJLF-JJIBRWJFSA-N 476.536 6.151 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 408800820 POZXGVQZPISSBV-HMMYKYKNSA-N 456.904 6.757 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(C)c(C)c1 408804030 CFZGRTSVWKDVTH-MFKUBSTISA-N 454.570 6.444 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(OCc2cccc(Cl)c2)c1 408811893 RYPNSUWIGDDUSR-LDADJPATSA-N 453.325 6.127 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2ccccc2F)cc1 408820199 UMZHLHKVOLRMFJ-UNOMPAQXSA-N 465.322 6.021 50 40 JKGB Cc1ccc(NC(=O)N/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1C 408853054 YGXKZOMUOAQREM-KSEXSDGBSA-N 478.799 6.619 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1Cc1ccccc1Cl 408872329 DDWSROSQMITDOZ-YBFXNURJSA-N 451.353 6.447 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c(OC)c1 408874485 CJUPBODVWNXCAA-HZHRSRAPSA-N 471.601 5.632 50 40 JKGB Cc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408952549 VJBPPHKRZJMVBX-GATIEOLUSA-N 499.017 5.298 50 40 JKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)o2)c(Br)c1 408990593 XNUWXVISOCLVEV-XNTDXEJSSA-N 455.739 6.525 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccc(F)cc1 409222465 XGNQQBWRXYHUPX-WKIKZPBSSA-N 489.316 5.008 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1 409224186 JSQLRMVNBLEQKK-SFQUDFHCSA-N 496.350 5.565 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)c1ccccc1 409231287 BQYYEKSFQUUYGG-MLPWYGTASA-N 450.498 5.382 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 409263553 HPYCISNSPCLEKT-DEDYPNTBSA-N 493.485 5.885 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1 409360292 DOQMTMMWVJJULW-UNOMPAQXSA-N 469.176 6.855 50 40 JKGB Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)c1 409361388 HCGSSZQTOKXHCS-VYYCAZPPSA-N 485.809 5.991 50 40 JKGB O=C(N/N=C\c1ccc(OCc2cccc3ccccc23)cc1)C(c1ccccc1)c1ccccc1 409390812 FSPTZWSNQLPJES-NVMPUMLXSA-N 470.572 6.701 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OC(=O)c1ccc(OC)cc1 1439437 IKBWNYHNPAQIIS-RCCKNPSSSA-N 456.498 5.167 50 40 JKGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc2noc(-c3ccc(Cl)cc3)c2c1 2708482 JVRRBBRYITXIBA-SFQUDFHCSA-N 457.873 5.480 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccc(C)cc1 4196415 RJLBPQAESXLHSR-WSDLNYQXSA-N 491.385 5.569 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3c(O)ccc4ccccc34)n2-c2ccccc2)cc1 8968605 HLHJKXRMDMGSNA-RHANQZHGSA-N 493.592 5.344 50 40 JKGB CC(C)(C)c1cc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc(C(C)(C)C)c1O 9262937 KKWYOOKEDCNRKZ-WYMPLXKRSA-N 494.373 5.061 50 40 JKGB O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc2ccccc2c1 9263148 ACOOOATVSWNWPD-DHRITJCHSA-N 485.790 6.764 50 40 JKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 10059278 SOAINQLOBGOMCM-VSRRSJTHSA-N 455.898 5.551 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 10475914 FWFANQGPNICNPC-JFLMPSFJSA-N 457.357 5.664 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccccc1Cl 12555953 MWTNSJXNUKNTCY-XSFVSMFZSA-N 462.933 5.872 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@@H]1c1ccc(C)cc1 20057975 VDKAZUWLYUIPEX-VWLOTQADSA-N 487.625 5.409 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(C(=O)O)cc1 32180890 BLEUFWJZNQOTLQ-LPYMAVHISA-N 456.498 5.135 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1ccc(C(=O)O)cc1 33560679 YNOGADSLOGSZMF-CFRMEGHHSA-N 484.349 6.944 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)c(OC)c1 35419125 KNWHHXFZXMHSHJ-OCSSWDANSA-N 463.537 5.624 50 40 JKGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1Cl 58913570 PVQHMUUIAJVFIK-KBKYJPHKSA-N 493.778 5.152 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1cccs1 58979981 HKRWGKLWYBWBHU-LQKURTRISA-N 489.984 5.997 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(F)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117473 GYRSJYAJGGJTSV-CXUHLZMHSA-N 475.734 6.911 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc2ccccc2c1 59334831 KIEOGBWDEMWXGZ-UCQKPKSFSA-N 475.386 5.905 50 40 JKGB COc1ccc(CSCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1 59473572 MHSKWCWWLQGVEB-STBIYBPSSA-N 470.594 5.811 50 40 JKGB CC1(C)O[C@H](CP(c2ccccc2)c2ccccc2)[C@H](CP(c2ccccc2)c2ccccc2)O1 68568681 VCHDBLPQYJAQSQ-RNPORBBMSA-N 498.543 5.772 50 40 JKGB in-vitro CN(C)c1oc(-c2ccc(F)cc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100704195 KVVWWFFOQBKFRO-UHFFFAOYSA-N 467.504 5.166 50 40 JKGB CCCCCCCCCCCCCC(=O)NNC(=O)c1c(O)n(CC)c2ccccc2c1=O 136459124 NTSQKPPSBAFRPM-UHFFFAOYSA-N 457.615 5.189 50 40 JKGB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 142546835 OVJOEFOKERIQPI-USOMCTOXSA-N 459.590 5.985 50 40 JKGB N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)C(N)=S 408544183 SOBHCXHDXWIAEP-LFYBBSHMSA-N 470.161 5.123 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 408548554 IPZNWZJFHVAVOL-CEUNXORHSA-N 489.018 8.544 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OCc1ccccc1 408746318 RSYSMOBTHMTZBZ-WQRHYEAKSA-N 463.877 5.381 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)cc1 408747031 YCRJRIQDGVTACX-RGEXLXHISA-N 452.470 5.152 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccccc1Cl 408811936 BUCAOJLTISWPQJ-YVLHZVERSA-N 471.315 6.266 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1Cl 408813557 OIDRAWBOQROKDK-GZTJUZNOSA-N 468.296 6.026 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 408813859 DUPWPIFLMLKJHT-XYGWBWBKSA-N 490.538 6.230 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3cccc(F)c3)c2C)cc1 408849615 XSPTVWQSEYFBBK-UCMJSZAQSA-N 490.582 6.763 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1Cc1ccccc1Cl 408865030 BFYZCLSGNYJOSV-FYJGNVAPSA-N 479.407 7.091 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OCc1cccc(Cl)c1 408877165 TZLNJCWUALXRPK-JFLMPSFJSA-N 452.938 5.155 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1ccc(C)cc1 408880936 LGHJIHIXYLJYKI-CVKSISIWSA-N 467.363 5.499 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)cc1 408885785 ASBIMZXBPZFURS-GZTJUZNOSA-N 477.860 5.022 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cccn1-c1cccc(C(F)(F)F)c1 408932221 UYJFWMYUGYBCDZ-LQNQUEJISA-N 463.459 5.692 50 40 JKGB O=C(N/N=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1cc2ccccc2o1 408941023 JILWECINONQKCK-MNDYBZJGSA-N 489.358 7.236 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C)c1ccccc1 408979699 OBXDFWUOYWYKHN-ISAGNRBTSA-N 460.578 5.039 50 40 JKGB CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1 408982125 GBTDMOMNMXSAEJ-JCMHNJIXSA-N 461.009 6.448 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OCC)c1OS(=O)(=O)c1ccccc1 409072886 UEALDFDWWVUBNV-LTGZKZEYSA-N 485.565 5.522 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2o1 409081747 OHNKYARAGPKVFW-NTUHNPAUSA-N 497.250 6.807 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3c(Cl)cccc3Cl)c2C)cc1C 409132933 YPLBLBMSWIMQNX-KKMKTNMSSA-N 474.457 6.401 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccc(C)cc1 409190949 CIPSWJRLCDRAGF-NDENLUEZSA-N 483.406 5.701 50 40 JKGB O=C(Cn1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21)Nc1ccc(Cl)cc1 409195517 WBTIEHUBTSXXRW-UVHMKAGCSA-N 465.340 5.351 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 409218861 LOZMEBKGSKXBJR-LDADJPATSA-N 480.351 5.865 50 40 JKGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br 1095149 GQRHEYOCWVEFEJ-VTGBELTLSA-N 460.284 5.045 50 40 JKGB CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 1769770 LQYAHIOVPPUACJ-GHRIWEEISA-N 483.351 6.756 50 40 JKGB Cc1ccc(NCc2nnc(S[C@H](C)C(=O)N/N=C/c3ccccc3C)n2-c2ccccc2)cc1 2097441 YJKKSTDMKUWLGJ-OHPNAPQJSA-N 484.629 5.127 50 40 JKGB Cc1ccc([C@@H]2C(/C=N/NC(=O)c3ccc([N+](=O)[O-])o3)=C(c3ccccc3)Oc3ccccc32)cc1 2291485 LAPDQDCLTYTLDY-WVOIHLJESA-N 479.492 5.848 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cccc(OC(=O)c2ccccc2)c1 3030685 LCOQCIDPKKONQQ-VUTHCHCSSA-N 450.494 5.102 50 40 JKGB CC(C)(C)c1ccc(OCc2ccc(C(=O)N/N=C/c3ccc(N4CCOCC4)s3)cc2)cc1 3325120 OJFJFOPTJWURMK-MTDXEUNCSA-N 477.630 5.225 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1CCc1ccc(Cl)cc1 8767008 OZKJEXDISKZDJK-DEOSSOPVSA-N 484.939 5.458 50 40 JKGB biogenic,in-vitro Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 9261719 QYZVYZQNUZWAJU-GXDHUFHOSA-N 473.779 6.701 50 40 JKGB COc1ccc2c(c1)/C(=N/NC(=O)c1ccc(CSc3ccc(Cl)cc3)cc1)C(O)=N2 13100341 OECHHMFXKCLAMB-UHFFFAOYSA-N 451.935 5.377 50 40 JKGB Cc1ccc(/N=N/c2ccc(O)c(/C=N\NC(=O)[C@H]3C[C@H]3c3ccc(C(C)(C)C)cc3)c2)cc1C 15930623 DGODHGMOKOFVQE-IDVGEILZSA-N 468.601 6.976 50 40 JKGB CCc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 16162066 PGGQOYUVRANXJC-RUZDIDTESA-N 464.569 5.553 50 40 JKGB CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1 16693391 KPFBLQSDWATBRN-WPWMEQJKSA-N 477.634 5.400 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 16712505 WWAUAHXCFPNDHR-JFLMPSFJSA-N 497.411 5.269 50 40 JKGB COc1ccc(OC)c2c(C)cc(SSc3cc(C)c4c(OC)ccc(OC)c4n3)nc12 30847164 IMEIXVNVSRHTQW-UHFFFAOYSA-N 468.600 6.234 50 40 JKGB CCOC(=O)C1=C(n2c(C)cc(/C=N/NC(=O)Nc3ccc(C)cc3)c2C)S[C@@H]2CCCC[C@H]12 32107156 AUYFHUKDPARSMI-MCPPNUIZSA-N 480.634 5.606 50 40 JKGB C/C(=N\NC(=O)[C@H](C)SCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 58917429 QIHJRFVCRSSZSP-OCZCSELSSA-N 481.665 6.675 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(F)cc1 59306243 GLOYXMANINMSJJ-JAIQZWGSSA-N 495.348 5.399 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC#N 59336455 HRERRHWRKYFSNR-JYRVWZFOSA-N 495.160 5.603 50 40 JKGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 59473669 WVMICBLVYWSRBX-JOBSNELWSA-N 459.398 6.203 50 40 JKGB O=C(c1ccc(Br)cc1)[C@H](Br)[C@@H](Br)c1ccc([N+](=O)[O-])o1 98042990 NRMSNTHDPHOSHS-NWDGAFQWSA-N 481.922 5.033 50 40 JKGB Cl[C@H](CCCCCCCC[C@@H](Cl)CC(Cl)(Cl)Cl)CC(Cl)(Cl)Cl 100352649 DREMSNSFGXXOEH-VXGBXAGGSA-N 473.954 8.843 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)C3=C(O)CCCC3=N2)cc1C 100703106 GUNCEIFDBGDJIK-VWLOTQADSA-N 457.599 6.253 50 40 JKGB CCCCCCCCCCCCCCCCCC1=NN(c2ccccc2)C(=O)[C@@H]1Br 100998819 ZHICHWNJSUOOOG-RUZDIDTESA-N 477.531 8.414 50 40 JKGB CCCS/C=C(/NC(=O)c1ccc(C)cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102618617 IYGGMCXZOJVBKT-KRUMMXJUSA-O 496.636 6.661 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c[nH]c4ccccc34)o2)cc1 105613852 CVIFSOPIVHJTTA-MWLSYYOVSA-N 452.514 5.511 50 40 JKGB CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2[C@@H](C)CC1(C)C 223535395 LJIYQVKLWIBRDN-GYXHFJGISA-N 452.396 6.107 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3ccccc3Br)c3ccccc32)c1 408541245 FNDHOZJRFNSKTG-MZJWZYIUSA-N 490.357 5.003 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)ccc1OCc1ccccc1 408569566 OQRKYWZEBNNKTQ-JVWAILMASA-N 494.638 5.282 50 40 JKGB COc1ccc(/C(C#N)=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1OC 408581587 JEOAVXZJVKYKIQ-NLRVBDNBSA-N 471.556 7.653 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408725563 KHAFCTXZEMNMDG-UNOMPAQXSA-N 465.303 6.009 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1Cl 408726922 WOQOCAWEYOSRSP-ZDLGFXPLSA-N 489.196 7.408 50 40 JKGB N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)c1cccc(Br)c1 408752955 KGLOYFBJPNTFBR-CPNJWEJPSA-N 456.343 6.107 50 40 JKGB COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OC(C)=O 408758063 GGCGZUQZJCUAQI-LQKURTRISA-N 468.594 5.004 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(I)c1 408764648 SEIIVJGNEAZBMR-GXDHUFHOSA-N 485.237 5.005 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1 408791286 VQPFXTWDIBGXPF-HYARGMPZSA-N 488.515 5.526 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(Cl)c1OCc1ccc(Cl)cc1 408808243 FHFYCDIJSZHJQB-PYEYENBVSA-N 487.427 6.573 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(C)(C)C)cc2)cc(C)c1OCc1ccc(Cl)cc1 408847598 QPMHKYZKIDIIJV-XQNSMLJCSA-N 473.016 7.379 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1Cc1ccccc1F 408865874 FBGJKADULYKHFB-UDWIEESQSA-N 493.376 6.432 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)Nc1ccccc1F 408876307 NSVAIKFQSXTXJD-CPNJWEJPSA-N 491.349 7.410 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1ccccc1-n1cccc1 408891767 VAIADBIXSBCQCP-LQKURTRISA-N 464.352 6.127 50 40 JKGB CCCOc1c(Br)cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OCC 408974428 ZAXCFIBFVYUATB-ZMOGYAJESA-N 475.339 5.155 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccccc2F)c2ccccc12 408981311 AFFAXRFVFFZWRQ-XSFVSMFZSA-N 457.936 6.645 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCC 408984114 PRTVJXLJMZNCRO-BOPFTXTBSA-N 459.771 6.084 50 40 JKGB Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)N/N=C\c3c(C)n(C)c4ccc(C)cc34)c2c1 409030854 FLTNNMWVRIUKBV-ACXHZZMFSA-N 480.999 6.736 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409088323 WUBAZJXRTVLVCG-XNTDXEJSSA-N 457.402 5.244 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2[C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1 409107929 YFZUPPFDXLYSMA-DEOSSOPVSA-N 491.341 5.283 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1ccc(C)cc1 409234781 MLDPLKYJWUQRCE-VYYCAZPPSA-N 485.353 5.177 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1Cl 409259181 XVTZEYGRGNEOIU-QGOAFFKASA-N 493.922 5.441 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)cc1 409273522 YUKYVSPWGJXARW-PXLXIMEGSA-N 469.541 5.265 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1F 409378398 PBZKADBWQHYBBS-CPNJWEJPSA-N 461.449 5.214 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2cccs2)nc2ccccc12 1500692 OUKCZQCRZRXJOQ-FSJBWODESA-N 452.333 5.195 50 40 JKGB N#C/C(=C\Nc1ccc(Br)cc1)c1nc(-c2cccc(Br)c2)cs1 2282916 LNAIHBQBLPULIN-JLHYYAGUSA-N 461.182 6.312 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)/C(=C\c1cccs1)NC(=O)c1ccccc1Cl 3166671 BOFZRIYDVPCKCS-KVYUHAOXSA-N 478.788 5.630 50 40 JKGB O=C(Oc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1)c1ccccc1Cl 4017872 GAXYFTUSLMBBIQ-NDZAJKAJSA-N 468.940 5.841 50 40 JKGB O=C(NNC(=S)Nc1ccccc1)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 8857331 HKOCNIQUMXZDLV-UHFFFAOYSA-N 478.546 5.675 50 40 JKGB N#C/C(=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 9261682 QWTGRMMFSJDCDM-RCCKNPSSSA-N 496.397 7.695 50 40 JKGB COc1ccc(C(=O)NNc2nc(CSc3ccc(Cl)cc3)nc3sc(C)c(C)c23)cc1 12637540 YCFNPLDLFLUIAV-UHFFFAOYSA-N 485.034 6.019 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 59426607 GQZRZKYESCXXHZ-JFLMPSFJSA-N 457.357 5.664 50 40 JKGB O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1cccc(Br)c1 59920780 XBBJSUWSDDCRLH-BRJLIKDPSA-N 492.156 5.739 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2ccccc2)ccc1OCc1cccc2ccccc12 59921155 FUOMLGQVNBTOTH-UXHLAJHPSA-N 453.542 5.380 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cc(Br)ccc1O 83326957 BRGWNTYMSWVTTM-GATIEOLUSA-N 494.172 5.804 50 40 JKGB Clc1ccc(-c2nc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cs2)cc1 95676964 PFXVTQFGSVXMNM-UHFFFAOYSA-N 470.985 6.958 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1cc2c(ccc3ccccc32)o1 98086637 SLTZEJQSDSMPAV-LQKURTRISA-N 465.465 5.837 50 40 JKGB CCCCCCCCCCCCCCCC(=O)NNC(=O)c1c(O)n(CC)c2ccccc2c1=O 102930286 YAXZFMLQJMECSN-UHFFFAOYSA-N 485.669 5.969 50 40 JKGB COc1ccc(/N=N\C(=N/NC(=O)c2ccccc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 104315747 YCACDEIXRLGQNS-AAPVFKHLSA-N 493.571 5.513 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 107864737 UFFQNLWRBHLMLW-YVLHZVERSA-N 451.841 5.469 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1nc2ccc(F)cc2[nH]1 408567638 PCUFJHNPFMVMGB-YRNVUSSQSA-N 453.227 5.697 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1cccc(C)c1 408676728 MVGRTDVDGAGOKR-STBIYBPSSA-N 477.992 5.600 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OCC 408725669 NKOHXQFYAWPAPJ-YVLHZVERSA-N 490.341 5.251 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c1 408746126 XLGZFTMUJKTMHB-ODLFYWEKSA-N 492.329 5.790 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c1 408746884 XGGXJMRAJWQOOK-WQRHYEAKSA-N 463.921 5.390 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)cc2)cc1 408755548 OJBZXQIDDGMPNU-JXAWBTAJSA-N 497.370 5.071 50 40 JKGB Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1-c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 408760515 ZYOWAXQSOGAPCR-MHWRWJLKSA-N 470.407 5.206 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccccc1C#N 408790319 OVPPLWCHKLMFIB-BUVRLJJBSA-N 451.526 5.644 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)cc1 408797683 SNGVDCNPWLNUEI-FYJGNVAPSA-N 457.486 5.290 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C 408813289 QOEXHKUQWBOUJK-JMIUGGIZSA-N 476.609 5.915 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 408843967 UQSUZISJQSPXOA-SGWCAAJKSA-N 477.630 5.126 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Cl)cc1OC 408847630 NVNZHTBNYZTSFW-YVNNLAQVSA-N 451.704 5.020 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(C)c1OCc1ccc(Cl)cc1 408856715 LEUDWXVFVBUYLA-YBFXNURJSA-N 485.798 7.388 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1Cc1ccccc1Cl 408870298 VTRFARHDTLLXFO-DEDYPNTBSA-N 495.804 6.638 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Cc1cccc(F)c1)C(=O)Nc1ccccc1Cl 408870460 DZKIZCPMQJTNQD-LDADJPATSA-N 469.741 6.378 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1OCc1ccc(Cl)c(Cl)c1 408875474 JBGXVVNQZLLFHG-DEDYPNTBSA-N 481.379 6.689 50 40 JKGB Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 408881948 OKKJUBKUYADQKQ-CIAFOILYSA-N 490.357 6.111 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(OCc2ccccc2Br)c1 408893675 GQLSIJILBFPYAU-LDADJPATSA-N 479.330 5.288 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccccc1C(F)(F)F 408925217 QNMZCASRPVTITF-LTGZKZEYSA-N 472.466 6.983 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1Cl 408952559 OGSOWUOIBXRNPP-HMAPJEAMSA-N 485.971 5.675 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCc1ccc(C)cc1 409024800 WYFGRYACWBFASE-QDTIIGTASA-N 483.351 6.400 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Br 409059255 VSXHPWGMMBPHNB-MDWZMJQESA-N 459.141 5.717 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 409066379 MVPVFYMEDVFFDD-HZHRSRAPSA-N 480.520 6.296 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)OCO3 409094345 DFUSBRQZTJYTOP-JOCHJYFZSA-N 485.298 5.658 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1cccc(Cl)c1 409129509 KAIMLOVPDHGQDW-DEOSSOPVSA-N 463.965 5.048 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCc1ccc(Cl)c(Cl)c1 409145773 QYBOXSATGJHSKB-NRFANRHFSA-N 471.344 5.221 50 40 JKGB C/C(=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(C(C)(C)C)cc1 409148241 PBXPJHPSDMLHSH-VFCFBJKWSA-N 477.630 5.272 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc2ccccc2c1 409192134 AUDAXWWVERVVAF-STBIYBPSSA-N 458.945 6.235 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1C 409273097 VIYGATRPDZDVBT-XSFVSMFZSA-N 473.504 5.096 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 409391217 HZUAGDFAUUVJPE-IWIPYMOSSA-N 456.948 7.530 50 40 JKGB Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 934926 OHVDGDQYOOHHHF-IEQIIXMPSA-N 467.594 5.046 50 40 JKGB Cc1ccc(-c2csc(N(NC(=O)NC3CCCCC3)C(=O)Nc3ccc(Cl)cc3)n2)cc1 1415248 KMUPQRWIFRVWEM-UHFFFAOYSA-N 484.025 6.357 50 40 JKGB Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2cccc(Cl)c2C)C2=C1C(=O)CC(C)(C)C2 1422792 ZOUVVDBHDWEBIZ-MHZLTWQESA-N 472.976 5.004 50 40 JKGB CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 1773189 YPQOKMWNROWCOM-PTGBLXJZSA-N 468.509 5.408 50 40 JKGB CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 1906055 UGCHCVMLBCPOJA-XMHGGMMESA-N 496.430 6.221 50 40 JKGB COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(SCc2ccccc2Cl)s1 2372896 PAODBATXKCMOAQ-HJEIRYQDSA-N 491.063 5.400 50 40 JKGB Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(Cl)cc3Cl)s2)cc1Cl 2553645 ZGMFRAQSMORCSW-OVCLIPMQSA-N 462.789 6.548 50 40 JKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C2\N=C(NC(=O)c3ccc(Cl)cc3)c3ccccc32)c1 9487860 VUYIBMYUBGSZRY-FCQUAONHSA-N 454.917 5.020 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 10060141 WKPYOLDHOMHTCA-WYMPLXKRSA-N 484.852 5.030 50 40 JKGB CCc1ccc(OCC(=O)OCC(=O)N(/N=C/c2ccccc2)c2cccc(C(F)(F)F)c2)cc1 13114551 BHLQRHQVERKMGO-OKCVXOCRSA-N 484.474 5.257 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc(OC)cc2)=C(C#N)[C@@H]1c1ccccc1Cl 20150267 IZGROZNUZPISII-DEOSSOPVSA-N 495.000 5.390 50 40 JKGB Cc1cccc(COc2ccc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)cc2Br)c1 33535853 JXWJOUBOACBPHR-NDENLUEZSA-N 458.359 6.585 50 40 JKGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 33937483 HPIFGKQRASOUIK-HCOVDNQSSA-N 474.988 6.111 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 58871470 KNWPGMXWACWOFA-VULFUBBASA-N 467.909 5.298 50 40 JKGB N#C/C(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117498 AHJVJLXJLTWQIW-XNTDXEJSSA-N 492.189 7.425 50 40 JKGB CCCCCCCCC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccc(Br)o2)cc1 97965575 LZYSDHPYDFMLCM-PCLIKHOPSA-N 462.388 5.885 50 40 JKGB S=C(SSC(=S)[C@@H]1CCC/C1=N\C1CCCCC1)[C@H]1CCC/C1=N\C1CCCCC1 104198386 HMXOLEOABAQJDG-ROBIAQTMSA-N 480.834 8.170 50 40 JKGB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NCCCl)CC[C@]4(C)[C@H]3CC[C@@]21C 118923219 QWMAVRKIDZNMQT-FLSRVGERSA-N 450.195 8.305 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c(C)c1 216049638 CMXYOQXWWCSDSG-LQKURTRISA-N 454.530 5.216 50 40 JKGB CCCCCCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(OC)cc1 408537007 BUIHLXBWGAYTOT-SILNSSARSA-N 485.422 6.743 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OC)cc1OC 408579621 ITBHFYBGNPFCQU-AWNIVKPZSA-N 453.130 5.302 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)c(OC)c(Br)c2)cc1OC 408581254 VMRAQKBNKLIVRF-AWNIVKPZSA-N 453.130 5.302 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1Cl 408735232 OUMLJGVLRIRDSL-VCHYOVAHSA-N 499.767 6.675 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408812180 BSMCLNPJUZRIQF-LZYBPNLTSA-N 484.770 7.175 50 40 JKGB C#CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 408854213 ZUMHDVQLYKZFOM-AQTBWJFISA-N 455.341 5.678 50 40 JKGB COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 408855449 NCISEHLUFFQCNI-QRQIAZFYSA-N 488.385 5.988 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cc1ccccc1F 408873655 UNLNZDWCBUTLKH-UDWIEESQSA-N 468.450 6.380 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1ccc(C)cc1 408885756 AFPXJFUQTMYERC-LGJNPRDNSA-N 457.313 5.294 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)c2nc3ccccc3s2)cc1 408922882 HHWRNCMYERNLBQ-CAPFRKAQSA-N 482.586 6.590 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Nc3cccc(Br)c3)c2C)c1 408966134 KCEFYELXCNVFKP-QFEZKATASA-N 483.366 5.189 50 40 JKGB CCCOc1c(Br)cc(/C=N\NC(=O)c2cccc(Br)c2)cc1OCC 409008483 WYAJXOCOMLPMIN-UUYOSTAYSA-N 484.188 5.163 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])cc2c1 409188396 YWXMWSVABRBRSD-DICXZTSXSA-N 489.484 5.091 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)cc2Cl)c1 409244994 LWOIBMONWVHFHH-UCQKPKSFSA-N 479.407 6.537 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Cl)cc1C 409257428 SOSRNYKTSBCHMB-LPYMAVHISA-N 473.960 5.198 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2)c(C)c1 409266053 JJNMPENQXQDCRC-WKIKZPBSSA-N 470.356 5.392 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(I)cc1 409370740 CWISHSKOUYGLCD-LCYFTJDESA-N 466.105 6.922 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(Br)cc2Br)cc1 1912813 HUAMDXZKGVYOEE-GXDHUFHOSA-N 465.141 5.513 50 40 JKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(C)c3)s2)cc1 8763830 HLHSQPFGEJXUHX-XQNSMLJCSA-N 459.615 6.547 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)N(CC)c3ccccc3)c2C)cc1 13095545 QRJLZSRFVJPGAS-UWODKOOBSA-N 485.584 5.385 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2)c1C 13660944 GYUCKAIWGLUKEF-XYZDCVNTSA-N 488.012 6.022 50 40 JKGB CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1 20347643 WPGWZLKXPSCCPL-HSZRJFAPSA-N 486.424 5.959 50 40 JKGB O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc(Br)cc1 32116827 WEMVEPIBLVSXRU-FMCGGJTJSA-N 490.766 5.926 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc2ccccc2c1 35078383 IVWWCAIBPXWXHP-QRVIBDJDSA-N 458.330 7.385 50 40 JKGB CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 38680278 FJEZMLWUAASVOT-QFIPXVFZSA-N 464.880 5.315 50 40 JKGB N#C/C(=C/c1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 59336394 BHOTZZOAAAHBJM-ATVHPVEESA-N 464.327 6.681 50 40 JKGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OCC 59483950 FVNRSQHEFXVZNJ-BOPFTXTBSA-N 488.325 5.109 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(-c2ccccc2)cc1 59676723 FBTQTXZHDIHKNL-QUPMIFSKSA-N 486.619 6.017 50 40 JKGB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](Br)CBr 103527387 HWMKCLWXODMZFK-REOHCLBHSA-N 455.887 5.248 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Cl)c1OCc1ccccc1C#N 107754758 PGBVMLJPDSCRGN-FBHDLOMBSA-N 468.944 6.357 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1Br 107867800 JDDXOEZPPXQFLY-MLPAPPSSSA-N 452.102 5.583 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OCC 108255910 DIZHCTNSNTWIRQ-RCCKNPSSSA-N 490.869 8.305 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(Cl)cc1 408549714 XMEYNXYXRAFXNN-FMCGGJTJSA-N 460.360 7.798 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 408568445 UMATUBWZAINFHQ-MFOYZWKCSA-N 482.342 7.051 50 40 JKGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408609918 MABRUKSVBJRQIT-FJEPWZHXSA-N 498.410 5.462 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccc(N2CCCC2)cc1 408675918 CHKUZSFABNBEOF-STBIYBPSSA-N 456.977 5.707 50 40 JKGB CC1=CC(/C=C(/C#N)C(=O)Nc2cccc(C)c2)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1 408743043 DFNVSLURIXSFOD-FWESEHMYSA-N 460.577 7.023 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2Cl)c1 408747839 UNGAKNGMWYKEAR-NHDPSOOVSA-N 451.353 6.104 50 40 JKGB N#C/C(=C\c1ccc2c3c(cccc13)CC2)C(=O)Nc1cccc(I)c1 408757966 FBBFBJPFRNQQJC-GZTJUZNOSA-N 450.279 5.089 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(OCC)c2)cc1 408765022 VXBVHFJYJLKOLI-XQNSMLJCSA-N 470.525 5.387 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Br)cc1 408782757 JDRGLOVSQOADID-WKIKZPBSSA-N 478.312 5.568 50 40 JKGB CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 408791165 VBAOJUHCHDJBRZ-DEDYPNTBSA-N 462.933 5.872 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2)cc1 408794846 KGUVIYOANHGQOU-DEDYPNTBSA-N 491.341 5.360 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1 408796019 WZOBRCCGMZTHKR-LICLKQGHSA-N 457.744 6.771 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1F 408797244 BZRPJBIXTMMJSI-QGOAFFKASA-N 451.295 5.713 50 40 JKGB CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1 408827189 MHUSOGJHCLZJLQ-DEDYPNTBSA-N 481.379 6.905 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1O 408853724 WZXFKZIVFBDOIE-GTWSWNCMSA-N 479.580 6.049 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1Cc1cc(C)cc(C)c1 408874875 DRDMCVJXMOHKPV-OEAKJJBVSA-N 489.413 6.601 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Cc2cc(C)cc(C)c2)c1 408883299 PBECQJWBOPWNGR-LPYMAVHISA-N 464.487 6.467 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(Cl)cc1 408892065 AMKAYLQGBJVKFS-WKULSOCRSA-N 479.363 6.498 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 409052466 HVFDPTIABBVDEY-MZJWZYIUSA-N 457.357 6.043 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)c1 409058675 SMRKXLXNHMETHW-LDADJPATSA-N 480.351 5.865 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 409210864 LTHSVYORGPIGAE-MOSHPQCFSA-N 475.331 7.698 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OC(C)C 409236299 DJRBXCUCOIXFEL-VXIUPONVSA-N 457.368 5.419 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1C#N 409246361 BPHKNLPDDRQOOM-MTJSOVHGSA-N 491.469 6.100 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@@H]1c1ccccc1OCc1ccc(F)cc1 985630 GTFSJKKTTCXLBT-AREMUKBSSA-N 488.522 6.166 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 2196355 FQQWLUNPYUVRTO-YDYXIROLSA-N 473.985 5.713 50 40 JKGB COc1ccc(OCC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(Br)c1 3026783 DERCVZKCTYKLIK-LGJNPRDNSA-N 491.426 5.287 50 40 JKGB Cc1ccc(C(=O)NN(C(=O)Nc2ccc(Cl)cc2)c2nc(-c3ccc(Cl)cc3)cs2)cc1 3768079 MPYLIZSECZPWCB-UHFFFAOYSA-N 497.407 6.809 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)Nc3ccc(C)cc3)c3ccccc23)c1 4090764 AHIRQFAWVYKKTC-XSFVSMFZSA-N 464.525 5.143 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCc3ccccc3Cl)NC3=C2C(=O)CC(C)(C)C3)cc1OC 12139323 SGZDLPZKLKPDKD-XMMPIXPASA-N 495.044 6.356 50 40 JKGB N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@@H]1c1ccc(OCc2ccccc2)cc1 12251072 HGENJIDZTYEFFT-XMMPIXPASA-N 488.012 6.138 50 40 JKGB CCOC(=O)/C(C#N)=C/c1cc(Cl)c(OCCOc2ccc([C@H](C)CC)cc2)c(OC)c1 13898438 YADKEAYJJRITAU-UOBPLZBXSA-N 457.954 5.790 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(OC)cc3)C(=O)N2c2ccccc2)cc1 27460949 VQJTWCVBZOJFDI-IEQIIXMPSA-N 483.593 5.323 50 40 JKGB O=C(N/N=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1cc2c(ccc3ccccc32)o1 32654833 BECWSRZVOZPLTO-NTFVMDSBSA-N 465.465 5.837 50 40 JKGB N#C/C(=C/c1ccccc1)C(=O)Oc1cc(-c2ccc(Br)cc2)c2oc(=O)sc2c1 33497431 RPDSFIROZWUBKE-YBEGLDIGSA-N 478.323 5.797 50 40 JKGB N#C/C(=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 35078652 TYYIATXTICENDR-QNGOZBTKSA-N 451.438 6.299 50 40 JKGB O=C(Cc1ccccc1)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 59427565 MPQRTSOPXUKZRJ-STKMKYKTSA-N 490.006 7.158 50 40 JKGB O=C(c1ccc(Br)cc1)[C@H](Br)[C@H](Br)c1ccc([N+](=O)[O-])o1 98042988 NRMSNTHDPHOSHS-VXGBXAGGSA-N 481.922 5.033 50 40 JKGB O=C(OCCCCCl)[C@@H]1CC[C@H]2[C@H](C1)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 100929347 QNGXUOGPVMCDDM-DAYMJXMFSA-N 489.481 6.427 50 40 JKGB Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)nc2c1 107552652 UKSDQWSJVQZYOT-ODLFYWEKSA-N 488.341 5.975 50 40 JKGB C/C(=N\NC(=O)Cc1c[nH]c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118932870 WBLZXQSVAXDGFP-KMTJFHLASA-N 487.688 6.142 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 408747579 PUXXCJXAQBBIHI-ONUIUJJFSA-N 496.010 6.550 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1OCc1ccccc1 408776091 LQQFLGLRXYVTRE-HAHDFKILSA-N 456.542 5.997 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(F)cc1 408787761 FVJUUDOABCKUCQ-RGVLZGJSSA-N 464.924 6.229 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 408788932 NEGZTWWWQXVRRB-GZTJUZNOSA-N 480.782 7.195 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1C#N 408794972 UHJRMMRRSYAVEJ-CIAFOILYSA-N 472.342 5.754 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)cc1C 408807903 PDBBRDILQDBVFH-RGVLZGJSSA-N 461.905 5.990 50 40 JKGB Cc1cc(/C=N\NC(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408856309 JZPQAPZDOXFWGN-MYKKPKGFSA-N 489.757 5.364 50 40 JKGB N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408871452 ZEAREKOGGKYNGC-RQZCQDPDSA-N 459.735 6.922 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c(F)c1 408964226 CDZMWDDQRRVPBD-FJEPWZHXSA-N 457.892 5.847 50 40 JKGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 408981307 VQKBXOVJHDZDAU-AWLRXGSOSA-N 495.554 5.416 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(I)c2O)cc1Cl 408982271 CZRSYJIXTLTBQO-WCIBSUBMSA-N 473.097 5.158 50 40 JKGB C=CCc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(OC)c1OCc1ccccc1F 409013684 CSQSDUJZZIHUMR-KYHGBAKBSA-N 499.542 5.219 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c(C)c1 409083633 VRSVHIDRLMFIHK-LDADJPATSA-N 481.430 6.568 50 40 JKGB COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)ccc1OCc1ccccc1Cl 409116364 PFYPSBDWIQIONV-UBXTYJAUSA-N 469.006 5.867 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1ccccc1 409189518 PYELJBYPJNUKRM-WQRHYEAKSA-N 455.352 5.002 50 40 JKGB Cc1ccc(Sc2ccc(/C=N\NC(=O)COc3cccc(Br)c3)cc2)cc1 409236406 FRJJKEAMDFIGEL-OYKKKHCWSA-N 455.377 5.438 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 409236675 GCFLPMMDUVZKKT-MDWZMJQESA-N 460.795 5.863 50 40 JKGB CC(C)(C)[C@H]1CC=C2[C@H](C1)[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)C2(C#N)C#N 971516 KPMDRDWXBMRHGE-ZQGRQUNCSA-N 453.359 5.454 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(n3cccc3)OC3=C2/C(=N/OCc2ccc(F)cc2)CCC3)cc1 1383263 TXMBKANUAASHAB-YQFLVVOTSA-N 469.516 6.153 50 40 JKGB O=C(NNC(=S)Nc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccccc12 1651142 ZUMGYHLYWWAMAU-UHFFFAOYSA-N 477.387 5.296 50 40 JKGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1C(F)(F)F 3231417 JTNLPIGYMSOYBG-GXDHUFHOSA-N 451.242 5.578 50 40 JKGB CCCCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 12273763 MTQSCXMGIDTFOQ-SJCFVWOQSA-N 481.621 6.094 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@@H]1c1ccco1 20348226 WKIVRJWLCAETOM-XMMPIXPASA-N 484.577 5.601 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1ccc(C(=O)O)cc1 27833725 OEVJHPDKANNFBU-XDHOZWIPSA-N 477.314 5.272 50 40 JKGB COc1c(Cl)cc(Cl)cc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c21 35316361 LXHHSKKEXBECQS-LJQANCHMSA-N 463.324 5.763 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccc(Br)cc1 58913701 JRVNKAHDSQZXON-JFLMPSFJSA-N 489.373 5.099 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCc1ccc(Cl)cc1 59116911 OLSGMEDHHFWSSY-LDADJPATSA-N 453.325 6.127 50 40 JKGB Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c3ccccc32)c1 59336104 OZJRRBUTKZRTLY-UYRXBGFRSA-N 460.364 6.851 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)N1CCN(c2ccccc2)CC1 59676651 FSCLWBXGABHWDV-NBVRZTHBSA-N 452.341 5.509 50 40 JKGB Cc1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3cccc4ccccc34)ccc2O)c(C)c1 102560186 SSAKVFBGTXIFII-HOEVZMQCSA-N 452.514 6.107 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC 408537584 FWWJGWAOYIHRGG-ZHZULCJRSA-N 484.980 6.030 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccc2ccccc2c1 408549742 YACUQLYPMAQRBH-BKUYFWCQSA-N 460.411 7.623 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Br)c1)Sc1nc2ccccc2[nH]1 408598936 LOTIFMWPKGUIAN-YBFXNURJSA-N 487.382 6.433 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Br)cc2)cc1 408754256 JPQUYQXCRZGAPY-NBVRZTHBSA-N 477.314 5.223 50 40 JKGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c(-c2ccccc2)n1-c1ccccc1 408772552 MYBOMQIDEMXYEX-CKBHZCRKSA-N 468.564 5.660 50 40 JKGB N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1ccccc1Cl 408781625 CZPLZZFYVIFZMP-SDXDJHTJSA-N 492.431 7.286 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 408790307 VMXPULLFUQPWDF-YBFXNURJSA-N 464.880 5.390 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408796305 OPODNSHTEXKBQZ-WOJGMQOQSA-N 493.903 5.477 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408797566 RYVONSKBYMAJOI-LTGZKZEYSA-N 454.913 6.725 50 40 JKGB Cc1c(C(=O)O)cccc1-c1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)o1 408847847 SOTAHUUFYISOON-MYKKPKGFSA-N 467.275 5.226 50 40 JKGB Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1 408870210 TZWWNKLVFSYAEL-FYJGNVAPSA-N 461.359 5.908 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cc(C)cc(C)c2)cc1 408891804 VQUYRYUWBUNPNV-HZHRSRAPSA-N 456.542 5.835 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(OC)c2)cc1 408897607 YWIHODSKZCFYCA-CPNJWEJPSA-N 493.357 5.591 50 40 JKGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2)ccc2ccccc12 408923861 KRWIJJRAWTUQGL-RCCKNPSSSA-N 479.492 5.881 50 40 JKGB O=C(N/N=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)c1ccc(Cl)cc1 409190641 UHVTVBOUWYEJHY-JFLMPSFJSA-N 459.889 5.744 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 409224868 NENHTOIHJZFXEC-SFQUDFHCSA-N 499.876 5.922 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1Cl 409263520 LLHIYQUNLYMJBE-WQRHYEAKSA-N 490.903 5.120 50 40 JKGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OC 409309645 KJYVVHYSYVWMFF-RHANQZHGSA-N 494.975 5.655 50 40 JKGB COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3)c3ccccc32)o1 409394223 XIXIZJRHFAVXTK-OKCVXOCRSA-N 494.551 5.241 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1 1189293 DSWXJRFUVGBJJB-UYRXBGFRSA-N 456.571 5.460 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCc1ccc(Cl)cc1 1439453 JBJMEOUGSNNPPP-KGENOOAVSA-N 489.959 5.822 50 40 JKGB COc1ccc(-c2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)n2C2CCCCC2)cc1 2658589 YZPJGQXFVLVJTL-UHFFFAOYSA-N 486.601 5.393 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1Br 3254478 FPYPZRAECPNDND-MDWZMJQESA-N 480.156 5.165 50 40 JKGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1cc(-c2ccc(F)cc2)nc2ccccc12 3299118 RGRNETDZQPVQNC-OKCVXOCRSA-N 469.903 6.718 50 40 JKGB Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1cccc(Cl)c1 4047958 NZTNBAGDIUTIRW-RDRPBHBLSA-N 457.961 5.134 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCCOc1ccc(Cl)c(C)c1 9553750 SMQISOIDSUCHEA-LTGZKZEYSA-N 476.960 6.051 50 40 JKGB Cc1cc(C)cc(OCCOc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2)c1 13940685 VSXREWORQMTZSR-DEDYPNTBSA-N 481.379 6.614 50 40 JKGB O=C(N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1cccc(Cl)c1 20530738 UIRZYXCQUWJKOO-QOMWVZHYSA-N 458.732 5.328 50 40 JKGB O=C(N/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(O)(c1ccccc1)c1ccccc1 33721235 KEAYQHIVQMWRLW-NTFVMDSBSA-N 465.336 5.640 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(Br)ccc3OCc3cccc(F)c3)[nH]c2c1 35362049 GPNFMXQETRWOMD-WQRHYEAKSA-N 462.322 6.416 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 58871304 FOFUCSZKLHXCLG-LSHDLFTRSA-N 472.935 5.360 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)cc1 59292049 DAXPPTBNBNNJCC-HMMYKYKNSA-N 477.358 5.972 50 40 JKGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 83301893 APJNSVATBYRCSE-VZFOORBSSA-N 473.548 5.191 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(Br)c1OC 96398850 HLCUYMAMSLREKP-JYOAFUTRSA-N 456.123 5.319 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1F 97993117 JMKTXHWATVDHEI-PGMHBOJBSA-N 498.533 6.542 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc3ccccc23)c(C(=O)OCC)c1C 107700836 DUKNUXPJBKFSNT-CPNJWEJPSA-N 461.539 5.282 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(C)n(C4CCCC4)c3C)o2)cc1 107898184 CHRWYWDOEZNKJF-MNBJERMJSA-N 498.627 6.563 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Br)cc3)c2C)cc1Br 408534398 VLEZPLVCENXTKG-ODLFYWEKSA-N 470.208 6.992 50 40 JKGB COc1ccc(/C(C#N)=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1OC 408580767 RQRZTPFTXJVBFF-PXLXIMEGSA-N 455.941 7.154 50 40 JKGB CCc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)CC2=O)cc1 408602626 FALPKDYAIBASHB-LJQANCHMSA-N 498.410 5.631 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)NNc3ccccc3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1 408609310 QZBCMBYBBMHEGJ-GOSISDBHSA-N 484.383 5.377 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(C)c(C)c3)ccc3ccccc23)c(C)c1 408801956 XAORBIFAGVGSFG-YZSQISJMSA-N 460.577 7.198 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OCc2ccc(Br)cc2)c1 408814493 PJYQKMHFHGQDBP-LDADJPATSA-N 497.776 6.236 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(F)c(Cl)c1 408818283 ZWAVRCVXMVDKQN-NVNXTCNLSA-N 462.739 6.739 50 40 JKGB CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 408836434 RBRWLRVUPHZPCP-XSFVSMFZSA-N 481.379 6.907 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1Cc1cccc(F)c1 408878759 ATIGRYGVMWFBFT-CIAFOILYSA-N 462.952 6.577 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1cc(C)cc(C)c1 408892619 DAGGMKDGOPKDTD-CIAFOILYSA-N 491.385 6.199 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c([N+](=O)[O-])c1 408893542 GSYBTYGQTTUZPL-UKTHLTGXSA-N 497.261 5.380 50 40 JKGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCCCCCCC1)c1cccc(Cl)c1Cl 408921424 HLZQUJTYHITLSP-UHFFFAOYSA-N 476.470 5.536 50 40 JKGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)o2)cc1Cl 408983930 ONFMLWOPONMXGB-DHDCSXOGSA-N 455.297 5.894 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OCC)c1OCc1cccc(F)c1 409072132 IMUXMTLAQFMHKP-HZHRSRAPSA-N 456.517 6.078 50 40 JKGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1 409131505 JOZQRCSJWKRAJA-LJVLJBDNSA-N 454.595 6.358 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(Cl)cc2)cc1 409190319 WSRWHFIJICOUND-DHRITJCHSA-N 457.755 5.754 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(C)c2)c(C)c1 409257229 PEUZIMVFDCLLOQ-LPYMAVHISA-N 487.987 6.137 50 40 JKGB Cc1cccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 409268851 BNIQEYKOFIZEAM-XDHOZWIPSA-N 479.458 5.577 50 40 JKGB CCc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccccc1Cl 651072 FAUIEJGBMQIJQZ-JOCHJYFZSA-N 469.006 5.994 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OC(=O)c1sc2ccccc2c1Cl 2181660 ZEXZCMFUAJSXOI-UVHMKAGCSA-N 499.375 6.200 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccc(F)cc1 2773934 ILPGQIRAWNFFBJ-MZJWZYIUSA-N 479.533 5.187 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1nnc(NC(=O)c2ccccc2)s1 4181164 DSIIXHXPWLFYOF-XSFVSMFZSA-N 472.957 6.087 50 40 JKGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)n2c1 8442485 OGDBVXVSVCXWNF-KBKYJPHKSA-N 454.361 5.429 50 40 JKGB CC/C(=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1ccc(O)cc1 9167978 OMRVDRXAXNJPQI-OQKWZONESA-N 479.052 5.212 50 40 JKGB CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)c1 9457144 ULPOMRUDWWJROR-XLNRJJMWSA-N 459.553 6.279 50 40 JKGB CC(=C/c1ccco1)/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1 16311233 XZFIRZGVKIOOHL-UIKGHELNSA-N 463.607 5.649 50 40 JKGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)OC)=C(C)N1 20029028 OKIXVFCFOUMQTE-QHCPKHFHSA-N 482.005 5.143 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc3ccccc23)=C(C#N)[C@@H]1c1ccccc1 20150274 GFQAGOOENLPPMP-MHZLTWQESA-N 495.604 5.637 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3cccs3)c(NC(C)=O)s2)ccc1OCc1ccccc1 26771316 JDBAAVZCYBVAQM-DEDYPNTBSA-N 487.606 6.482 50 40 JKGB O=C(N/N=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1O 32625328 IFYMTXDMIYZQQD-NTFVMDSBSA-N 477.480 5.070 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccccc1C#N 34882861 WXUZXOZYRWVQIV-JAIQZWGSSA-N 477.333 6.502 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccccc1F 59272155 WBIGLKSXNKVHHT-UDWIEESQSA-N 464.924 6.311 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1cccc(F)c1 408545127 ZEUPBPZPTOZSLA-JAIQZWGSSA-N 460.461 5.047 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1cccc2ccccc12 408580376 OZYNVUOTSAKXFK-FYJGNVAPSA-N 460.360 7.798 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 408727186 YTISEMJPEVCWQJ-STZFKDTASA-N 491.385 6.145 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccccc1Cl 408742853 QDAGMDVBAHXDPW-WQRHYEAKSA-N 453.325 6.127 50 40 JKGB N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)C(=O)Nc1ccc(Br)cc1 408747712 RVJJAAVMFIEGCD-KAMYIIQDSA-N 472.136 6.017 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(OC)c1OCc1ccc(Cl)cc1 408790653 XNSGNXQWLPFJQB-BUVRLJJBSA-N 486.999 6.819 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 408817879 WNFOZTOWUNLWEY-KGENOOAVSA-N 487.386 7.580 50 40 JKGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Cl 408842606 BEFDNRVNOUTXQH-RMORIDSASA-N 466.118 5.278 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)c(Br)cc1OCc1ccccc1 408848393 UKMUHKOJDYFMGL-CVKSISIWSA-N 467.363 5.499 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccccc3F)c2C)cc1 408851281 AWODXXBLWXIWNS-UCMJSZAQSA-N 490.582 6.763 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1Br 408897407 RZOOPXWBSHOWPZ-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB CC[C@@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1 408954503 XHVVTIFPJHJAPT-GNJDFURQSA-N 451.570 6.394 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1C 409015401 ZPVMXHWXVSXZQU-UVHMKAGCSA-N 486.355 5.092 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4cccc(Br)c4)o3)cc2c1 409185035 QAHBJHDTEACYPI-CFRMEGHHSA-N 453.292 5.618 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccc(Cl)cc1 409190058 VKBUKXOXGJAIPR-YVLHZVERSA-N 489.797 5.656 50 40 JKGB Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2 409203895 ZRMGKUQFUIDPGG-UVHMKAGCSA-N 483.062 5.802 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409251237 PAWOEQYLUJCLBY-HYARGMPZSA-N 471.513 5.692 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1O[C@@H](C)CC 409251352 PKJWHVSBRDWCIL-CIKBWMHTSA-N 466.887 6.480 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)c1ccc2c(c1)OCO2 409359226 AJVSBJDTLVDKCT-UKWGHVSLSA-N 459.299 5.693 50 40 JKGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 409362183 HYYOOTCJWKTFDP-VYYCAZPPSA-N 471.340 5.036 50 40 JKGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccco3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2337107 PAFIDLKHRSNWEJ-JVWAILMASA-N 489.601 5.076 50 40 JKGB CCOc1ccc([C@@H](Br)[C@@H](Br)C(=O)c2ccccc2[N+](=O)[O-])cc1OC 2555860 RPBSTZJXHAKOBN-IAGOWNOFSA-N 487.144 5.085 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccc(F)cc1 2774365 JERWZTTXMOJNBP-XDHOZWIPSA-N 491.475 5.266 50 40 JKGB COc1ccc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(F)c(Cl)c1 2775689 KNUOFHQYPKIAQG-CPJSRVTESA-N 488.950 5.660 50 40 JKGB Cc1cc(=O)oc2cc(N/C=C(\C#N)c3nc(-c4ccc(Br)cc4)cs3)ccc12 8816741 UKRCRDYYWFZFDO-RVDMUPIBSA-N 464.344 5.964 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3OCc3ccccc3)n2)cc1OC 9065265 MYKBIOPAOJOLOA-HYARGMPZSA-N 454.551 6.470 50 40 JKGB N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@H]1c1ccc(Br)cc1 9693423 IVCDWBQHHVEXDB-KRWDZBQOSA-N 460.784 5.322 50 40 JKGB C/C(=N\NC(=O)CCCCCCC(=O)N/N=C(\C)c1ccccc1Cl)c1ccccc1Cl 20158088 RRDDCQFQKALHSY-XUIWWLCJSA-N 475.420 5.715 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3C)c2C)c(C)c1 20243620 YMBJTWOLTHWIGL-UVHMKAGCSA-N 498.490 6.165 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1cccc(Cl)c1 33415285 IUVMMBJALRKWST-JFLMPSFJSA-N 452.938 5.399 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccccc1Cl 40007586 HQHCXPYXBTVKJS-CKMDTHJYSA-N 460.961 6.102 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1 59201972 WXVBGFLALCJLNM-HMAPJEAMSA-N 460.961 6.480 50 40 JKGB CNCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccc(OCc3ccccc3)cc2)cc1 77287173 MVLQAFJROJSHKA-QNEJGDQOSA-N 498.066 7.452 50 40 JKGB in-vitro COc1cc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccccc1[N+](=O)[O-] 95100370 UNIQWTQFNWQUOZ-LDADJPATSA-N 486.509 5.338 50 40 JKGB N#CC(C#N)=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@@H](C(=O)C2CC2)N2c3ccccc3C=C[C@H]12 102686458 YCTYCODSHQCPSX-RJIGRWNCSA-N 467.572 6.151 50 40 JKGB Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 108195591 IBAKPGYZQUOKEI-KGENOOAVSA-N 453.567 5.932 50 40 JKGB Cc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 209403747 GPTJMAHXZRBQBJ-VXLYETTFSA-N 473.197 7.708 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(Br)c1OCc1cccc2ccccc12 408567582 OQYNQUWSYSSJEF-CFRMEGHHSA-N 495.376 7.126 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccccc1F 408568504 JYBJPGYTVCDXLL-PXNMLYILSA-N 451.860 6.146 50 40 JKGB COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc(Cl)c1OCc1ccccc1 408606364 LQIANZUTHKGXRJ-HXUWFJFHSA-N 493.991 5.041 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc(Cl)cc1Cl 408723560 WLPDARANIQYHGI-LSFURLLWSA-N 483.105 5.688 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 408742940 CTPYUBKSDNHNSJ-ZDLGFXPLSA-N 455.316 6.566 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)ccc1OCc1cccc2ccccc12 408754470 KKKWTTYABONLJI-WPWMEQJKSA-N 484.555 7.126 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1 408759023 WPLLQPYSCMWCQN-MUFRIFMGSA-N 456.464 5.376 50 40 JKGB N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ccccc12 408765339 PDMQUZAWKKHGET-CAPFRKAQSA-N 499.504 5.061 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)c(C)c1 408789782 LHRNBRAWEJSOFU-UFFVCSGVSA-N 476.363 6.607 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccccc1C#N 408796016 NZHFEKGTPOYWJU-VXLYETTFSA-N 459.889 5.051 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408800681 QOQIMXUGOCTVKN-KGENOOAVSA-N 487.386 7.580 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)c1 408801317 VEPACOZEIFGBFW-UDWIEESQSA-N 495.804 6.844 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1 408814601 PUCIDTKYHQFHIV-ACEGTKJHSA-N 475.372 5.173 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)c1 408816057 SIFNKXHKLDXDNG-XQNSMLJCSA-N 450.513 6.720 50 40 JKGB Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccccc3OCc3cccc(C)c3)cc2)cc1 408827317 KRECVYLVSIRBAI-TURZUDJPSA-N 488.587 7.007 50 40 JKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c1 408828903 WKSLAZKNYMZADM-XQNSMLJCSA-N 466.968 7.235 50 40 JKGB CC(C)c1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)cc(C(C)C)c1O 408848986 TXRKPKCVLDJGKF-NUGSKGIGSA-N 498.215 5.634 50 40 JKGB CCOc1cc(/C=N/NC(=O)Nc2ccccc2)c(Br)cc1OCc1ccccc1 408851003 UEQHMAHESNCMKT-MFKUBSTISA-N 468.351 5.582 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1cccc(Cl)c1 408879919 GBSWMPOXJUIAKW-KBKYJPHKSA-N 468.167 6.643 50 40 JKGB Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1 408892788 CLTGAGJIODHXNM-UDWIEESQSA-N 451.353 6.735 50 40 JKGB O=C(COc1ccccc1Cl)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 408912345 NEUDYWIZMCQITC-RPPGKUMJSA-N 463.748 5.755 50 40 JKGB CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 408961977 WJJYNMRCWHECON-XYGWBWBKSA-N 450.586 5.712 50 40 JKGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c1C 409002362 NKDRNJXXSPJPHP-AWLRXGSOSA-N 492.623 5.722 50 40 JKGB C#CCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)c2cc(C)ccc21 409046604 RTAIAZRNJRLOCC-MZFJOGFUSA-N 486.575 5.879 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1OCc1ccccc1 409064512 DQMYGNZQRDBEAE-PCLIKHOPSA-N 452.554 6.165 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1 409251786 BNSSMSHRHCZPAA-ZMFRSBBQSA-N 456.329 5.083 50 40 JKGB Cc1cccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1C 409254133 DDXROONHLQCURA-UDWIEESQSA-N 493.485 5.885 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)cc2)ccc1OCc1ccccc1 409324577 UFOPOOCAGYSVKS-MZFJOGFUSA-N 498.554 6.146 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccc(C#N)cc1 409371350 HVRJMCTVGVNAHE-JAIQZWGSSA-N 494.186 6.726 50 40 JKGB N#CC1=C(N)N(c2ccccc2Cl)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccnc1 685959 FPMFQHLOIDYFBQ-UQBPGWFLSA-N 452.945 5.433 50 40 JKGB O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(OCc2ccc(F)cc2)cc1 1872207 QPFGMNLFGNRXIZ-JFLMPSFJSA-N 459.433 5.337 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1Cl 2077291 ASWJGKONRUTDKT-BRJLIKDPSA-N 474.300 5.253 50 40 JKGB CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCCC2)cc1 2411528 IIJSTXYGZXNMDN-HTXNQAPBSA-N 470.573 5.140 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)OC(C)C)N1 6137119 YPKKROMCJGETGE-QHCPKHFHSA-N 482.005 5.359 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C\c1c(OCc2ccccc2)ccc2ccccc12 6162814 XRWMIMBJWCJEMO-NTFVMDSBSA-N 483.618 6.271 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(NC(=O)c3ccccc3OC)Oc3c2ccc2ccccc32)cc1OC 9435009 DQFAPLOSMVXRRS-MHZLTWQESA-N 492.531 5.555 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)cc1Cl 9462178 LIHUGAGRSLFNTP-HKWRFOASSA-N 479.971 6.542 50 40 JKGB CCCCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCC)c(OC)c4)CC(=O)N3C2)cc1 9693553 QMVRJHADAMUJKF-JOCHJYFZSA-N 477.630 5.656 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccc([C@@H](C)CC)cc2)ccc1OCc1ccccc1 10059269 FFEXNSCEVFEPHP-DFVFNMDZSA-N 460.574 5.707 50 40 JKGB CCn1c(SCC(=O)N/N=C(\C)c2cccc(Br)c2)nnc1-c1ccc(Cl)cc1 12467560 WPMWRQKREYMENL-YDZHTSKRSA-N 492.830 5.013 50 40 JKGB C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 13576187 XZVZFIJMIHBDLF-HEOQCTJZSA-N 459.398 6.203 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/C=C\c3ccco3)n2-c2ccc(Cl)cc2)cc1 13940988 XLWUIGIPXTVENN-HMCJDLQRSA-N 477.977 5.397 50 40 JKGB N#CC1=C(S)N[C@@](O)(c2ccccc2)[C@H]([n+]2cccc3cc(Cl)ccc32)[C@H]1c1ccsc1 19805101 MVVRSFFRAZNNJG-JBRSBNLGSA-O 477.034 5.281 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)c(C)n1-c1ccccc1Br 20241158 DRGWGPSCVRNNHI-ZZQPOVDQSA-N 456.409 5.488 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1cccc(C)c1 33608326 OWJXNWLFSZSUSH-UXHLAJHPSA-N 468.553 5.898 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(C)cc2)c1 34745778 MHZQACYLMBSFCW-VULFUBBASA-N 483.362 5.118 50 40 JKGB CC1(CC(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)SCCS1 35302121 JJNTVDKWJOCOQC-LPYMAVHISA-N 465.438 5.065 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)c1 97990532 HYEOJIPAJRKPSY-QNGOZBTKSA-N 469.541 6.847 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(Cl)c1 108042563 UHMIEQDJLGPYDB-FJEPWZHXSA-N 493.390 6.807 50 40 JKGB CC1(C)CC[C@]2(C(=O)NN)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 108234477 APYOKISKLZLBOK-XLJVTOABSA-N 486.741 5.110 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1cccc(Cl)c1 207147120 YNEJJYVNUSPZDT-DEDYPNTBSA-N 495.804 6.790 50 40 JKGB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H]5CC[C@@]4(C)[C@]3(O5)C(=O)[C@@H](Br)[C@]12C 253501325 XDHSPKUJYNEBHS-DNANMEJWSA-N 481.471 5.308 50 40 JKGB COc1cc(/C=C(\C#N)C(N)=S)cc(Br)c1OCc1cccc2ccccc12 408541491 BMKPXIOUTGIYTR-RQZCQDPDSA-N 453.361 5.383 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)c1nc2ccc(F)cc2[nH]1 408567907 QHWXMYKITHNCSY-PXNMLYILSA-N 482.740 6.761 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408570755 YDPFRBOSKCZJEF-IUXPMGMMSA-N 477.879 5.705 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1cccc2ccccc12 408578702 AKHCUMYAKBQNSA-HYARGMPZSA-N 474.387 8.188 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)cc1 408583662 WCNFYILKLFBXQM-QGOAFFKASA-N 470.344 5.290 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2Br)c1 408744936 OEEDFOULVWXSSG-JAIQZWGSSA-N 495.804 6.844 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1 408784248 ADNYQOZWGNRKCQ-MOHJPFBDSA-N 461.565 6.339 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1c(C)ccc2ccccc12 408800570 PSLOKIBCSZGKMY-PXLXIMEGSA-N 464.521 5.987 50 40 JKGB N#C/C(=C\c1c(OCc2cccc(Cl)c2)ccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 408803074 KYXNBGSOZONTTB-XSFVSMFZSA-N 483.911 6.526 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccccc1F 408817864 OEWCXRKMFHRZOA-YVLHZVERSA-N 499.311 5.861 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cn(CC#N)c3ccccc23)cc1 408844963 JGBPWTYQALSACW-DXJNIWACSA-N 457.537 5.695 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Cc1cccc(F)c1)C(=O)Nc1cccc(C(F)(F)F)c1 408866593 IDMWANBIGOHEEN-WOJGMQOQSA-N 458.842 6.634 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OC)c1OCc1cccc(Cl)c1 408881434 LBDPPOHXDGLBDN-LDADJPATSA-N 493.903 5.390 50 40 JKGB Cc1ccc(COc2ccc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2)cc1 409043163 ZVZVWWHVZYBVSR-RGXNXFOYSA-N 471.560 6.553 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Cl)c1OCc1cccc(F)c1 409101684 XDJUWTQHLUEZBW-QHCPKHFHSA-N 480.879 5.014 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2)cc1Cl 409263283 BMPUNUPGJQHXOB-LDADJPATSA-N 480.351 5.865 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1OC 409317056 OHUIPHCGSQIEFQ-MUXKCCDJSA-N 486.927 5.238 50 40 JKGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3ccc(I)cc3)o2)cc1 409367641 BZXJJRXTMFBJNP-ATVHPVEESA-N 455.251 5.402 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(Br)c1OCc1ccc(Cl)cc1 409372904 PWCBFIBABOSHHT-NHDPSOOVSA-N 493.788 7.016 50 40 JKGB N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1ccc(F)cc1F 606422230 CBDMYMMMXYQMPW-RUZDIDTESA-N 454.432 5.555 50 40 JKGB Cc1cc(C)cc([C@@H](N[S@](=O)C(C)(C)C)c2ccccc2P(c2ccccc2)c2ccccc2)c1 1857795015 HAEIDYNXHXDQJH-QTQRRKOQSA-N 499.660 6.203 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 1082809 KWPMJXKTXZPPLS-SDNWHVSQSA-N 482.290 5.562 50 40 JKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)NCCc3c[nH]c4ccccc34)o2)c(Br)c1 1093575 FDEBCOAIYJKHCM-QGOAFFKASA-N 474.358 5.765 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1 1468907 FNCDCCDJNACJMK-YUMHPJSZSA-N 489.919 5.371 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N1C(=C(C#N)[C@H]2c2ccccc2)N=C(N)c2c1sc1c2CCCCC1 2185969 OALOBTRMFZNKSQ-JOCHJYFZSA-N 468.626 5.718 50 40 JKGB C=CCc1cccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)c1O 2284195 DOBQYKORANNDJC-FOKLQQMPSA-N 491.063 5.160 50 40 JKGB COc1ccc2c(Cl)c(C(=O)NNC(=S)Nc3ccc(Oc4ccccc4)cc3)sc2c1 3261008 PEEXNYCNJZFKPD-UHFFFAOYSA-N 484.002 5.987 50 40 JKGB Cc1ccc(F)c(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1 11853099 JSRDAJHDYNKCMS-UVTDQMKNSA-N 482.334 6.103 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1OCC 13387977 IWNLXYHVEGCHGR-NTUHNPAUSA-N 494.729 5.354 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)N1CCN(c2ccccc2)CC1 15226957 PKTGJDKBUUMCDZ-RRAHZORUSA-N 473.576 5.675 50 40 JKGB Cn1c(/C(C#N)=C/c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)nc2ccccc21 25423019 NTHRBYOAVQTUKP-XDJHFCHBSA-N 452.514 6.635 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1 26123796 GVIXCVUBCQXAIR-NDZAJKAJSA-N 468.553 5.980 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccccc2Br)c(C)n1-c1ccc(F)cc1 28216106 KLXAXNGQXDQILQ-BRJLIKDPSA-N 474.399 5.379 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1ccc(F)cc1 28216933 IEOIKMTXFBBVEK-OKCVXOCRSA-N 492.019 6.943 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 33284875 FCTSGBYTAYBBTK-XFFZJAGNSA-N 462.676 6.361 50 40 JKGB O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 33567070 HFLIRTAQIHVNJP-OPEKNORGSA-N 459.405 5.852 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1 33668652 BMNJUFIYJIVCDI-JMIUGGIZSA-N 479.330 6.318 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccc(C)cc1 33694519 RJLBPQAESXLHSR-UUYOSTAYSA-N 491.385 5.569 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccccc1 59117405 LAHFQTKPSKOXRO-LDADJPATSA-N 481.335 6.157 50 40 JKGB C1=C(Sc2ccccc2)CCC[C@H]1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 104203322 SLRMDSFTAGOGDF-MUUNZHRXSA-N 451.595 7.209 50 40 JKGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1 408552084 HEPZDZOSHKAMJW-LFIBNONCSA-N 463.324 5.951 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3C)n2)cc1 408725472 POTXQQHEMTUZKD-NDZAJKAJSA-N 460.537 5.773 50 40 JKGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)c1ccc(Cl)cc1 408752095 BSQCOYGDFWUNGO-WGOQTCKBSA-N 464.930 5.025 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408772523 MPHURVOFJMTEIT-PDGQHHTCSA-N 488.456 5.548 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1ccc(Br)cc1 408794496 JHUKQTRUBIQCDW-QGOAFFKASA-N 474.333 6.137 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408795796 NDJFWYOFZTUKFU-XSFVSMFZSA-N 498.922 6.423 50 40 JKGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1 408826118 SUVJILPHPPEVRU-RCCKNPSSSA-N 491.385 6.361 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1ccccc1F 408865534 BCEFDMJLHWFCAA-LICLKQGHSA-N 451.841 5.512 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(OC)c2)cc1 408881063 LOHTVOKVPQFNNS-FYJGNVAPSA-N 460.917 5.272 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2Cl)cc1 408885343 ZRYOXJITMIOGPV-BRJLIKDPSA-N 497.787 5.487 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccccc1Cl 408885771 ALXCXJDBDFYRDS-DEDYPNTBSA-N 451.353 6.680 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OCc2ccccc2Cl)c1 408891693 BKMNULHGYQHJEQ-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(C(=O)O)cc1 408893685 HPLIIYJWDWHURN-VCHYOVAHSA-N 467.308 5.816 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccc(F)cc1 408903857 ALGCAOKLUWQTEL-PPDIBHTLSA-N 497.866 5.485 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12 408951957 NAZYOIGIYIAGMD-STZFKDTASA-N 498.970 5.105 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1cccc(C(F)(F)F)c1 408962331 HLPPKWBXMBRMSX-KPGMTVGESA-N 471.482 6.626 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OCc1ccc([N+](=O)[O-])cc1 409018497 WGGARIUJZZOXAL-VYYCAZPPSA-N 493.903 5.736 50 40 JKGB C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1nc2ccccc2o1 409044943 DQOQXXNBBXTGBY-MDWZMJQESA-N 460.125 5.982 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(Cl)cc1Cl 409133070 QMNUIUBXJXCLJS-HSZRJFAPSA-N 469.324 5.505 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc(OCc4c(Cl)cccc4Cl)c3)CC2=O)cc1 409253235 FHJZUYRZNUQTBC-GLYGWYKASA-N 496.394 5.384 50 40 JKGB O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 409253979 HGQSIBIFOXHSBY-ZRGSRPPYSA-N 476.747 5.428 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2Cl)cc1 409257656 TZAUTOCEOBXVQI-ZMFRSBBQSA-N 456.329 5.083 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1OCC 409301025 BYUUVXCQJCIXIF-QRQIAZFYSA-N 466.965 5.870 50 40 JKGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 409349701 REEGNFQGVHMJHQ-YSURURNPSA-N 467.150 5.578 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 2329341 GMIAEOOYPGAMPI-YDYXIROLSA-N 473.985 5.713 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2OC)sc(C)c1-c1ccc(Cl)cc1 2888778 JXNJZKXKBWNJNS-QGOAFFKASA-N 480.973 6.108 50 40 JKGB COc1ccc(Br)cc1/C=N/NC(=O)CSc1cc(C)c(Br)cc1C 3226662 IRGCGVUACWKHRT-ZVBGSRNCSA-N 486.229 5.079 50 40 JKGB COC(=O)c1ccc(COc2ccccc2/C=N/NC(=O)c2ccc(COc3ccccc3)cc2)cc1 3281753 BAGOBDCIUFAYIK-ZCTHSVRISA-N 494.547 5.395 50 40 JKGB O=C(N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)c1cccc(Br)c1 9355331 ASEWDNULHKBYBW-NUGSKGIGSA-N 472.553 6.433 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc4ccccc34)s2)cc1 12275942 OXBTZLYDVXPCGA-PXLXIMEGSA-N 453.567 6.222 50 40 JKGB COC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)c1C 15227000 DYYGPTSQGOQOHI-KAMYIIQDSA-N 455.297 5.894 50 40 JKGB N#CC1=C(N)O[C@@H]2[C@@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1c(Cl)cccc1Cl 16488813 XAOMVATWJGHFGS-ZSZQSSIHSA-N 453.251 5.182 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)cc(OC)c1OC 31904631 ALGPMBAAPBLGNV-CHHVJCJISA-N 457.349 5.663 50 40 JKGB COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1 38683552 OUKTYJBLWGPCFU-SANMLTNESA-N 476.488 5.064 50 40 JKGB COc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)cc(Cl)c1OCc1ccccc1F 41120623 QPZZDAQKSVUDMM-LICLKQGHSA-N 493.947 6.872 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1 59335979 HASQEUWKAKSSLK-CPNJWEJPSA-N 467.352 6.517 50 40 JKGB Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 408551750 FUBYQKZYKZWLFN-XSFVSMFZSA-N 496.592 5.370 50 40 JKGB CCc1ccc(N2C[C@@H](C(=O)NNc3ccccc3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1 408604982 JKKKFBJSWPIYSP-IBGZPJMESA-N 498.410 5.631 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3ccccc3C)cc2-c2ccc(-c3ccccc3)cc2)cc1 408724019 CJKVEPFGOIYIBC-RUMWWMSVSA-N 470.576 6.587 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408796196 XJTFQGJNFSGAHE-HYARGMPZSA-N 473.359 7.271 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1cccc(Cl)c1 408814319 VIIGVBHXQVGGOG-DEDYPNTBSA-N 462.933 5.872 50 40 JKGB CC1=CC(/C=C(/C#N)C(=O)Nc2ccccc2F)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1 408817264 VOBAVJKLPIQQDZ-MKOZVTOYSA-N 464.540 6.853 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1Cc1cccc(F)c1 408876277 NOJGOVVJTYTHQS-YBFXNURJSA-N 479.349 6.123 50 40 JKGB COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)ccc2OC)cc1 408898238 VYFASIHDFYPLAC-QGOAFFKASA-N 462.889 5.122 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(-n4c(C)ccc4C)c3)c2C)c1 408964717 DFEZKGLAHNXYLH-UXHLAJHPSA-N 482.584 5.442 50 40 JKGB COc1ccc2c(Cl)c(C(=O)N/N=C\c3c4ccccc4cc4ccccc34)sc2c1Cl 408974477 ZNVBTEUIHAKJDP-QDTIIGTASA-N 479.388 7.287 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc2c(c1)OCO2 408983009 JPDBUJJRYFIFNO-VXLYETTFSA-N 476.916 5.510 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)C(=O)NC1CCCC1 409192963 HPCCHSRMGNZZQF-SXGWCWSVSA-N 494.216 6.301 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1Oc1ccc([N+](=O)[O-])cn1 409214767 UKLMGHREAWHQRT-UNOMPAQXSA-N 458.474 5.343 50 40 JKGB Cc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(Cl)cc2Cl)c1 409225657 QQLCMQFCESPMRF-ROTLSHHCSA-N 472.284 5.193 50 40 JKGB N#CC1=C(SCc2ccc(Cl)c(Cl)c2)NC(=O)C[C@@H]1c1cccc(Br)c1 409315287 IGUFXTWKJXMVIS-CQSZACIVSA-N 468.203 6.028 50 40 JKGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OCC 409317403 PPZQNIWMGGQPES-RHANQZHGSA-N 494.975 5.655 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 409361328 GYGNHNNFALXGOA-CCVNUDIWSA-N 472.372 5.533 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1cccc(F)c1 1767663 WJSIKQCTSXQNLR-VULFUBBASA-N 471.989 5.485 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 1887966 RKDWDPHLCUUFOK-FYAMCCBRSA-N 453.567 5.368 50 40 JKGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccc(C(C)C)cc1 2312263 NVZUKYGJIXAREM-FCHUYYIVSA-N 498.004 5.413 50 40 JKGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 2331769 AGBKLOMCVXYZCC-JOCHJYFZSA-N 456.885 5.244 50 40 JKGB C[C@@H](Oc1ccccc1Br)C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 2766115 SGDBLLJKEVSKIJ-AXNZHVIBSA-N 489.373 5.219 50 40 JKGB CCCCCOc1ccccc1/C=N/NC(=O)c1ccc(OCc2ccc(Br)cc2)cc1 3084211 FVSKZRHFTIVWLC-MTDXEUNCSA-N 495.417 6.361 50 40 JKGB COc1ccc(Br)cc1/C=N/NC(=O)Cc1ccc(Br)c2ccccc12 3086880 DMJBQFJLAHMJMF-FSJBWODESA-N 476.168 5.066 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccc(F)cc1 4196149 IVIAJMWVECYCLV-YBFXNURJSA-N 476.305 5.585 50 40 JKGB COc1ccc(Br)cc1[C@H]1CC(=O)N2CN(c3ccc(C)c(C)c3)CSC2=C1C#N 9693451 DLFQRGZLFHWRGJ-GOSISDBHSA-N 484.419 5.294 50 40 JKGB CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1 12284785 CTYFXESBEYQMRM-XDJHFCHBSA-N 459.458 5.357 50 40 JKGB C=CCc1ccc(OCCOc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2C)c(OC)c1 13897475 MOZPUKCAGFSCDS-LYBHJNIJSA-N 468.553 5.736 50 40 JKGB CS(=O)(=O)N(Cc1ccc(C(=O)NN=C2CCCCCCCCCCC2)cc1)c1ccccc1 20059204 HJCVLMLWCRKYRF-UHFFFAOYSA-N 483.678 6.043 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccccc2Br)c2ccccc2n1Cc1cccc(Cl)c1 20761102 IZNYJIXKVHYXCZ-MZJWZYIUSA-N 480.793 6.178 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 33797351 SMABXZZKWGKWIA-UCQKPKSFSA-N 485.496 6.273 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 59245199 ALFFPFZTEYLWQZ-UDWIEESQSA-N 481.379 6.689 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c1OCc1ccccc1Cl 59255488 FUPDMINXVAIAPC-CJLVFECKSA-N 468.940 6.626 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(I)cc1 59304985 UKAVGFZDLVOFAF-ZMOGYAJESA-N 483.309 5.209 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OCC(=O)OCC 59336532 UFXRRYMRDOGXIF-BOPFTXTBSA-N 489.355 5.218 50 40 JKGB N#CC1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=CCCCC[C@H]2C1(C(F)(F)F)C(F)(F)F 100229692 PHFACQHXQAEKEJ-CYBMUJFWSA-N 469.351 6.404 50 40 JKGB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100844469 OVJOEFOKERIQPI-OFQAEJFBSA-N 459.590 5.985 50 40 JKGB C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)C(c1ccccc1)c1ccccc1 100922333 SNNDKVLBHBGQJP-OCSSWDANSA-N 453.464 5.358 50 40 JKGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2cccc(Cl)c2Cl)C2=C(O)CCCC2=N1 104132314 USZNLRJSWXLRJO-JOCHJYFZSA-N 498.435 6.943 50 40 JKGB CCCCCCCSc1ccc(/C=C(\C#N)c2ccc(OCCN(CC)CC)cc2)cc1 104388321 HZTODXSQDYQRNV-XTCLZLMSSA-N 450.692 7.534 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 107957997 SULMFKNZZXDTCE-JCMHNJIXSA-N 492.487 5.361 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)c3ccccc32)c1 408541716 FKCKACDMLJFADM-BVMLUPFRSA-N 493.485 5.188 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(CC)c3ccccc23)c(C(=O)OCC)c1C 408546714 NQROTWMTKLXBKP-SFQUDFHCSA-N 478.570 5.103 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)C(=O)Nc1ccccc1 408742933 QPXVYAHPFDQSGM-PDGQHHTCSA-N 498.295 5.555 50 40 JKGB N#C/C(=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)cc1 408756878 UQEZCJRALBDVFO-SSZFMOIBSA-N 492.285 5.122 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 408792754 CJGFLKHYTAFRKC-RGVLZGJSSA-N 495.362 6.213 50 40 JKGB Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)c3ccccc32)c1 408793146 DECSIMDDUCWKKD-ZXVVBBHZSA-N 497.598 7.123 50 40 JKGB COc1c(Br)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Br 408810279 PFUFDTXGGDBZNW-AAWHYMEISA-N 464.157 5.005 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(C)c(C)c1 408814857 QIXIZQXYNDDEEE-HZHRSRAPSA-N 456.542 5.835 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2cccc(Cl)c2)c1Cl 408820132 VLMVGBCCTJVPRB-OPEKNORGSA-N 480.735 5.924 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OCC 408835129 WGVYZCZPLMCNNB-CJLVFECKSA-N 490.987 6.652 50 40 JKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 408850707 CSSRMPRHWJRFJO-XKZIYDEJSA-N 456.977 5.803 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1Cc1ccccc1F 408872247 BULUQIACMRUOSC-RGVLZGJSSA-N 493.376 6.350 50 40 JKGB O=C(N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1ccc(Cl)cc1 408922088 DCOPWSRXNSCDNE-FDAWAROLSA-N 464.952 6.989 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c(C)n1-c1cc(Cl)cc(Cl)c1 408922725 GEMFFXSOOSTFSK-GIDUJCDVSA-N 479.194 7.253 50 40 JKGB Cc1ccc(COc2cccc(/C=C(/C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)c2)cc1 408937216 NGHIMMZLTFULOI-IMRQLAEWSA-N 474.560 6.699 50 40 JKGB Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)o1 409038620 PQOBYHPQMUKOJU-OCSSWDANSA-N 465.940 6.888 50 40 JKGB COc1ccc(-c2csc(N(NC(=O)c3ccc(C)cc3)C(=O)Nc3ccc(Cl)cc3)n2)cc1 1415229 HEVAAMUTZGRFDG-UHFFFAOYSA-N 492.988 6.164 50 40 JKGB Cc1ccc([C@H]2C(/C=N/NC(=O)c3ccc([N+](=O)[O-])o3)=C(c3ccccc3)Oc3ccccc32)cc1 2291487 LAPDQDCLTYTLDY-MKFKGKHESA-N 479.492 5.848 50 40 JKGB O=C(c1ccccc1)[C@@H](Br)[C@@H](Br)c1ccc(-c2ccccc2Cl)o1 2413056 VQOVWNLKBAYYMC-ROUUACIJSA-N 468.572 6.682 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)c1 2727001 AMEXBLWRZMKJDW-ZHZULCJRSA-N 455.945 6.206 50 40 JKGB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1 2727109 XVOIVURONJFBIY-BRJLIKDPSA-N 455.257 5.329 50 40 JKGB N#CC(C(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1)=C1Nc2ccccc2N1 3279220 BCHSJNYMGONQLJ-UHFFFAOYSA-N 465.465 5.010 50 40 JKGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)N(CCCl)CCCl)[C@@]4(C)CC[C@@H]32)C1 4722565 IRVJJHLWASAGOV-AMKJHPCNSA-N 484.508 5.803 50 40 JKGB CC/C(=C(\CC)c1ccc(OC(=O)NCCCl)cc1)c1ccc(OC(=O)NCCCl)cc1 5103530 KCYDIDUYBZHDGE-DQRAZIAOSA-N 479.404 6.072 50 40 JKGB CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)COc3ccccc3C)ccc21 6135654 ZQIQHRXWBBBOTF-VUTHCHCSSA-N 456.546 5.023 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cccc(SC)c1 9187342 HENFABRYIVRHKU-LDADJPATSA-N 470.554 5.375 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)c(F)c1 9259512 PDFVMKYZPDVPNH-FJEPWZHXSA-N 457.892 5.847 50 40 JKGB COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1 9333951 QBKZHPJFTGPKKF-CVKSISIWSA-N 484.025 5.355 50 40 JKGB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 16408485 WSCONRWRINFQBX-WUXMJOGZSA-N 455.230 5.031 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1 33479100 SDASIWAICDVWJG-AFUMVMLFSA-N 498.333 5.099 50 40 JKGB N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(-c2ccc(C(=O)OCc3ccccc3Cl)cc2)o1 95536315 JRWBIESIXQNXJH-YBFXNURJSA-N 454.873 5.124 50 40 JKGB CCCCCCCOc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2C)cc1 100034745 GCUZKDNDZSUQHC-MWAVMZGNSA-N 471.601 6.360 50 40 JKGB Cc1cc(Br)ccc1N/C=C(/C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 100860059 OXKFAQKOJOYMIH-LCYFTJDESA-N 465.203 7.164 50 40 JKGB Cc1cc(N(C[C@H](C)Br)C[C@@H](C)Br)ccc1/N=N\c1ccccc1C(=O)O 104184768 IUBPTOPNFAZJQA-LZZYMIELSA-N 497.231 6.482 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(F)cc1 107667132 VIQBGPTVRWCKOR-BOPFTXTBSA-N 479.895 5.051 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1Cl 408539501 WRAMBTJNMUFGEQ-RGEXLXHISA-N 475.416 7.287 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc2ccccc2c1 408606924 RTDMWMPMASWWQK-HYARGMPZSA-N 474.520 5.806 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1-c1cccc2ccccc12 408723998 BWJKWAWJLLKRSP-RDRPBHBLSA-N 475.508 5.673 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Br)c3)c2C)c1 408743510 ASJZOUXOUMDLRI-UNOMPAQXSA-N 464.363 5.801 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc2c(c1)OCO2 408744928 IIAYNIACHICPFR-ZDLGFXPLSA-N 462.889 5.202 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc2c(c1)OCO2 408745615 UGYOYVDBFKGULJ-OCKHKDLRSA-N 476.916 5.510 50 40 JKGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OCC 408837147 ZGMTWEYLOIHTQU-OVCLIPMQSA-N 477.344 5.520 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1F 408868648 ANRXRNOOIYSQTC-GZTJUZNOSA-N 451.841 5.512 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 408889202 ASCKOESELCYOCL-SFQUDFHCSA-N 481.733 5.867 50 40 JKGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)c2C)c1 408937596 JZVYIEJHOVOSQW-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCCCCC1 409029054 UXXHSUNSQPKHDA-UHFFFAOYSA-N 482.433 5.405 50 40 JKGB C=CCOc1cccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1 409030348 FOXCUPUNZUKKEF-WPWMEQJKSA-N 454.555 5.882 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OC)c1OCc1ccc(C(=O)O)cc1 409187264 ODHUVAXGECIOIC-JCMHNJIXSA-N 456.498 5.080 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)c1ccc(Cl)cc1 409190124 KXBVOOGHGXBLCW-KBKYJPHKSA-N 496.163 6.238 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409194569 PSRKSPHVTBZHGD-JFLMPSFJSA-N 479.920 5.328 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)c2C)sc(C)c1C 409198633 CLGQGYIUBCJGIN-CIAFOILYSA-N 461.587 5.722 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1OC 409325669 ZLBYUKKEWOAGQL-DICXZTSXSA-N 497.935 5.389 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3C)n2-c2ccc(Cl)cc2)cc1 1833156 WZKSEUKPKUZCGJ-JFLMPSFJSA-N 476.005 5.447 50 40 JKGB O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1 3145067 HAIIKFGTXAARMU-WPWMEQJKSA-N 494.389 5.287 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCc1ccccc1 4196459 VOTUWKYFXXLWEJ-VCHYOVAHSA-N 497.776 6.236 50 40 JKGB COc1ccc(C(=O)N/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 9185451 VITTZIIAFNWYID-NYRFQVNLSA-N 474.564 5.815 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1Oc1nc(Cl)ncc1F 9236095 PPDLBYOFRVVHAV-CXUHLZMHSA-N 452.873 5.233 50 40 JKGB Cc1cc(C)c(N2CSC3=C(C#N)[C@@H](c4c(Cl)cccc4Cl)CC(=O)N3C2)c(C)c1 12251066 ROKTUFWXORPUBZ-INIZCTEOSA-N 458.414 6.138 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)c(C)c1 15134742 NFVLJAWYBPTODG-STBIYBPSSA-N 451.526 5.124 50 40 JKGB CCOc1c(Br)cc(/C=N\NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1OC 32703903 GJMOBPHFLGAWKF-YMOZLIFUSA-N 497.389 5.441 50 40 JKGB Cc1c(Br)cc(/C=N/NC(=O)c2ccc(Br)cc2)cc1Br 34737907 MZFBLSQQAIKYFF-UFWORHAWSA-N 474.978 5.046 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OCc1ccccc1Cl 59117371 JAZGHYLOIUHYQW-LICLKQGHSA-N 487.770 6.780 50 40 JKGB COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C)N=C3CCCC(O)=C32)ccc1O 104125143 JRVYRUMOAKKCSN-DEOSSOPVSA-N 475.570 5.351 50 40 JKGB N#C/C(=C/c1cc(Cl)ccc1OCC(=O)Nc1ccccc1F)C(=O)Nc1ccc(Cl)cc1 107717997 JMGLMLBSJKXYAU-WJDWOHSUSA-N 484.314 5.696 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OC 408540093 MZGZFSJKZMZNCI-XSFVSMFZSA-N 476.842 7.915 50 40 JKGB COc1cc(COc2ccc(/C=N\NC(=O)c3ccc(C)cc3)cc2)ccc1OCc1ccccc1 408540401 RHCNSZKWSMUPSK-DXJNIWACSA-N 480.564 5.926 50 40 JKGB C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(Cl)cc1 408579212 DSOWWGWLUILERA-RIYZIHGNSA-N 451.545 5.941 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)c(Cl)c1 408739290 AYNMZEXLAKYKSV-VYYCAZPPSA-N 461.905 5.470 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl 408746024 QGWOESBYHCWKAF-QPEQYQDCSA-N 453.709 5.134 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(I)c1OCC 408755419 UTMMWABZDVXQLF-ZVHZXABRSA-N 488.325 5.006 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(Br)c2)c1C 408790045 MQLAJSCVCSCKSR-AWNIVKPZSA-N 450.130 5.080 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1 408792367 BAERVDSTFHTXMG-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(Br)c2)cc1 408796479 OXSWSEBLVFSTBU-ZVHZXABRSA-N 497.392 7.035 50 40 JKGB C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 408831267 PTWIUBLZCNCHAT-JFLMPSFJSA-N 456.329 5.165 50 40 JKGB O=C(N/N=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1cc2ccccc2o1 408859444 XITFBIXMHCWWPT-MNDYBZJGSA-N 489.358 7.236 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2cccc(F)c2)c1 408878909 DRAJUCGLPQDWEY-FYJGNVAPSA-N 463.350 6.342 50 40 JKGB N#C/C(=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1)C(=O)Nc1c(Cl)cccc1Cl 408883202 UEMFUOBJKVGGRX-CXUHLZMHSA-N 479.279 6.111 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)c([N+](=O)[O-])c1 408887611 PJYWVXUFOATBTB-VCHYOVAHSA-N 493.903 5.390 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1C 408925716 TUQBRRJIJWRDSJ-VXLYETTFSA-N 477.904 5.690 50 40 JKGB C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 409041143 IOWPHINUPFGVGA-MDWZMJQESA-N 494.570 5.423 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cc(-c2ccccc2)nc2ccccc12 409041807 JXJRKMYVYOXQBM-OGLMXYFKSA-N 462.465 5.834 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 409085488 ZBYDSVMEVFISQJ-OVCLIPMQSA-N 456.241 6.666 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 409234904 AJILBCUOZQJDOE-HMAPJEAMSA-N 495.406 6.237 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)cc2)cc1OCC 409335809 YMDHEHFKSXWMBA-QRQIAZFYSA-N 450.510 5.356 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 409366528 VNOWGDRXCOKPPJ-DHRITJCHSA-N 457.755 5.754 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 409394117 VWWQLOKZFREBDV-MFOYZWKCSA-N 499.311 5.818 50 40 JKGB Cc1cc(-c2ccc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)o2)c([N+](=O)[O-])cc1C 2162372 FPFFZGVAHFDXKM-MZJWZYIUSA-N 453.454 6.135 50 40 JKGB N#C/C(=C\Nc1ccc(Br)cc1F)c1nc(-c2cccc3ccccc23)cs1 2209412 MYANTKWLPVHQQL-NTCAYCPXSA-N 450.336 6.841 50 40 JKGB N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2368150 CKNBDFIZCZYIQZ-CKVBZJJFSA-N 477.948 5.544 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Cl)c1OCc1ccccc1 8811154 DLLXJKXCALQNGH-JFLMPSFJSA-N 468.937 5.099 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1OCc1ccccc1Cl 8826700 BINPZMLFHYMDHA-DHRITJCHSA-N 468.003 5.771 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)NCCc1c[nH]c2ccccc12 8951814 DAHRVLWEUODZLC-GZTJUZNOSA-N 459.889 5.045 50 40 JKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c(Br)c1 9065500 BRDRWZRWUNKSPO-RVDMUPIBSA-N 464.344 5.964 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 13174324 DCUGFFJJGCCXFT-NRFANRHFSA-N 470.019 5.511 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1ccc(Cl)cc1 13345100 ORHSONUUMCNEIQ-LDADJPATSA-N 462.889 5.171 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccccc2Br)c(C)n1-c1ccccc1F 28216104 NDFVTBXVFAUXPK-BRJLIKDPSA-N 474.399 5.379 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)c1 33573849 ILLYAZBUHHVFSO-UYRXBGFRSA-N 459.571 5.587 50 40 JKGB N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 59249237 KLANRRYNUNKELC-XFFZJAGNSA-N 455.139 5.495 50 40 JKGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(O)CCCC3=N2)cc1 103700413 RMSLAMDUBJKYCT-XMMPIXPASA-N 494.016 6.380 50 40 JKGB COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H]5CC[C@@]4(C)[C@]3(O5)C(=O)[C@@H](Br)[C@@]12C 253501320 XDHSPKUJYNEBHS-ACUPAXMJSA-N 481.471 5.308 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 408581675 YSFKICGPMOMVRP-CPNJWEJPSA-N 484.371 5.598 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cc(C)n(-c2ccc(-c3ccccc3)cc2)c1C 408743348 SHLGQSVTJOGIBK-CVKSISIWSA-N 467.576 6.770 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\C2=C(C)[C@H](c3ccc(OCc4ccccc4)cc3)C(C)=C2)cc1 408746330 RUJQWEJENRLHLR-KICLSGDVSA-N 476.576 6.723 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)c1 408746337 RVLBXFBYMFWKCK-NDENLUEZSA-N 473.485 5.127 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1cccc(F)c1 408799061 XSMJQOVKUUFHJM-YBFXNURJSA-N 450.897 6.002 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc2ccccc2c1 408799168 YHNBXZJSFQBCBY-JVWAILMASA-N 476.576 6.980 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1 408800013 MSULRUNQKMUJQE-XQNSMLJCSA-N 466.968 7.235 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1Br 408800777 PIICUFFQLUXXOY-GZTJUZNOSA-N 490.195 5.042 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)ccc1OCc1ccccc1Cl 408804909 CEYOLDDIESBTKK-KGENOOAVSA-N 476.960 6.180 50 40 JKGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21 408812211 CRYRMGRYCLMOAX-FMFFXOCNSA-N 468.560 5.843 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cccc(C(F)(F)F)c1 408961704 DLQWSDDHCKOJML-VROXFSQNSA-N 482.212 5.400 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409044919 DIMUGUQZMYMVIX-WOJGMQOQSA-N 463.877 5.338 50 40 JKGB N#C/C(=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl 409083848 VWHLTQNMJAHAQD-GDNBJRDFSA-N 464.821 5.494 50 40 JKGB Cc1c(/C=N/NC(=O)CSc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 409199375 CODVQUAJNFKCIW-MZJWZYIUSA-N 492.988 5.802 50 40 JKGB Cc1cccc(NC(=O)Cn2cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)c3ccccc32)c1 409220604 CAGXSANKYONXLH-MOHJPFBDSA-N 476.580 5.244 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)cc1OC 409320748 CGIPLKYRUYRFPD-YUMHPJSZSA-N 450.922 5.256 50 40 JKGB C=CCc1cccc(/C=N/NC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)c1O 1808771 OMTSXNFECRDDRR-PPFNPFNJSA-N 499.614 6.950 50 40 JKGB N#CC1=C(N)Oc2cc(O)c(/C=N/c3cc(C(F)(F)F)ccc3Cl)cc2[C@H]1c1ccccc1 2317011 DTBHDYBALATJCO-LJNMADSGSA-N 469.850 6.033 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2368207 ZMEZSCFCYVUKLR-HVBJHMBASA-N 457.530 5.199 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1ccc2ccccc2c1 9333825 DFPNRXDZTDKKRE-MYYYXRDXSA-N 499.086 6.270 50 40 JKGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 12275935 OVLYKQFPXLQBJE-VCHYOVAHSA-N 464.377 6.740 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1C 16736019 SUZBXQYVCKAWKU-PGMHBOJBSA-N 482.971 6.446 50 40 JKGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1 30738553 JJDFFVSWPGTKHO-SEKQKOPYSA-N 484.552 5.186 50 40 JKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 31911638 FVALOFSEFLAQMT-QIBQIDICSA-N 488.012 6.022 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC 33587633 ZDPZZDKHEYHWKZ-UNOMPAQXSA-N 478.932 5.490 50 40 JKGB CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)c1 50568446 DMEYWMYAWSEGTD-OQKWZONESA-N 459.553 6.659 50 40 JKGB COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2)cc1 59117331 PKPWRGDGHUJYLH-SFQUDFHCSA-N 467.308 5.767 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 59485088 YBQGRIDUJMRCQL-NDENLUEZSA-N 479.330 6.399 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(F)cc2Cl)c2ccccc12)c1nn(-c2ccccc2)c(N)c1C#N 59639159 WVAIZXMUCQKRSW-XDHOZWIPSA-N 492.945 6.186 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)cc1 102628428 KDBUHZNMXHLULW-XMMPIXPASA-N 492.044 6.926 50 40 JKGB Cc1ccc(C(C)C)c(OC[C@H](CCl)S[C@@H](CCl)COc2cc(C)ccc2C(C)C)c1 104816118 MWLDFEHNIRUNTF-VXKWHMMOSA-N 483.545 7.956 50 40 JKGB O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1ccc(F)cc1)N2 229908371 CWVCHWPJVBGHNO-NCIBMYPZSA-N 499.951 6.681 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Br 408565791 ANEOXVRVZFLIGT-WZUFQYTHSA-N 465.120 5.690 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1 408676512 JSFDZLRDUPCGGB-OGLMXYFKSA-N 492.417 5.701 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc(Cl)cc1Cl 408737577 DXIQJMXVPUCZQA-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 408746608 TUEWBGWNEGOQHV-YVLHZVERSA-N 471.315 6.266 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCc1ccccc1 408756838 UHSHGPBIAXUBOC-ZDLGFXPLSA-N 497.776 6.236 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1 408758960 VNXIVBMRCOLOOP-ATVHPVEESA-N 487.364 5.615 50 40 JKGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc1Br 408763233 OMJIBBRKXXZNLD-LZYBPNLTSA-N 486.163 5.919 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1Br 408765313 XRAOCXRPYPPIIV-GHRIWEEISA-N 481.733 5.867 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)cc3Cl)c2C)sc2c1CCCC2 408775096 OAXUVYPUUSRCRJ-BOPFTXTBSA-N 485.436 7.192 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(Br)cc1 408805584 HAJUKYJTKTVWDE-CPNJWEJPSA-N 495.348 6.112 50 40 JKGB Cc1cc(C)cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1 408881558 NYROWFJWKZOYKR-KGENOOAVSA-N 461.359 6.191 50 40 JKGB O=C(N/N=C/c1cccc(OC(=O)c2cccc3ccccc23)c1)c1ccccc1-n1cccc1 408886428 HGHUWZDUIBJVHB-TWKHWXDSSA-N 459.505 5.614 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 408887677 QJAOZWAMMSJYED-QGOAFFKASA-N 486.471 5.327 50 40 JKGB Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1 408889100 DQASJMSJBODAGF-YZSQISJMSA-N 460.577 7.198 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)c2)cc1C 409010626 CPRGTGLNXJAWHI-MNDYBZJGSA-N 483.490 5.033 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 409090858 QSMSNIDMXPJTHP-OQLLNIDSSA-N 466.793 5.921 50 40 JKGB Cc1ccc(SCCC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 409143246 MBZXYYGQISXXOZ-MFKUBSTISA-N 470.436 5.798 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)cc2c1 409184881 OUJNITHFIMYDER-QFEZKATASA-N 490.428 5.204 50 40 JKGB Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1F 409214461 VJFQWGHHVWLOKU-OPEKNORGSA-N 494.817 5.892 50 40 JKGB N#C/C(=C/c1cccc(OCC(=O)Nc2ccccc2Cl)c1)C(=O)Nc1ccc(Cl)cc1 409257317 SCJZKZKEYDMWEE-ATVHPVEESA-N 466.324 5.557 50 40 JKGB N#C/C(=C\Nc1ccc2oc(=O)ccc2c1)c1nc(-c2cccc(Br)c2)cs1 1294198 DUJJXYLPLPJJQH-RVDMUPIBSA-N 450.317 5.656 50 40 JKGB N#CC1=C(n2cccc2)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@@H]1c1cccnc1 1432001 NWLURZHAFPMZLC-HSZRJFAPSA-N 494.904 6.559 50 40 JKGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1cccc(Cl)c1 1833863 XVOBLCGMURRPRI-ZVBGSRNCSA-N 469.444 5.380 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2C)c1 2264809 SYNUGUMXLWAXII-GOHCDNDPSA-N 488.012 6.022 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 4196190 DGBCCVSQXJSESV-UDWIEESQSA-N 488.341 5.454 50 40 JKGB CC(C)(C)[C@H]1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 8783220 PKPNCDBPQDISDP-BRNPZZENSA-N 465.424 7.595 50 40 JKGB CC(C)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C2C#N)cc1 12249947 KMDWUVCTCXJXAT-QGZVFWFLSA-N 473.520 5.539 50 40 JKGB C/C(CC(=O)Nc1cc(Cl)ccc1Cl)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1 16136992 OMSCIWSQCPXBGO-LQKURTRISA-N 454.357 5.724 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OCc3cccc(C(F)(F)F)c3)c2)cc1 20176573 SWVHRCNRZBXLBC-DEDYPNTBSA-N 496.485 6.237 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@H]1c1ccco1 20348227 WKIVRJWLCAETOM-DEOSSOPVSA-N 484.577 5.601 50 40 JKGB O=CN/C(=C(/Cl)SCc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 33354885 KJQPGENMCOOJFG-BYYHNAKLSA-O 489.000 6.025 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)c(C)n1-c1cc(Cl)cc(Cl)c1 58917709 XEVUITKLTIRUHI-UVHMKAGCSA-N 452.341 6.024 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)c1 59201246 ONAGUQHGOXGNNE-KGENOOAVSA-N 484.397 6.615 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 59282073 JMEYUVCKYDHZHR-LDADJPATSA-N 456.851 6.483 50 40 JKGB Cc1ccc2[nH]c(/C(C#N)=C\c3cc(Br)ccc3OCc3ccc(Cl)cc3)nc2c1 108131289 ZDDCBTSVJVETQU-WQRHYEAKSA-N 478.777 6.930 50 40 JKGB CCN1c2cc(C)c(/C=N/NC(=O)c3cccc(I)c3)cc2[C@H](C)CC1(C)C 208319452 OYDKBGJSMIGTCH-FRQJIFLKSA-N 489.401 5.476 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408534144 VAETZYQFZOEQDO-ZDLGFXPLSA-N 489.196 7.408 50 40 JKGB CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OC 408566655 AVNRIGDKNLEDID-SQAVSUBZSA-N 495.066 5.534 50 40 JKGB COc1ccc(/C(C#N)=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1 408583042 RGSJJDUBKWIUAT-CJLVFECKSA-N 470.366 7.254 50 40 JKGB COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3C)n2)cc1 408724250 IWEYSRIGNZUYNF-ZCTHSVRISA-N 488.547 5.551 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2Br)c1 408741974 MFBXGZWZYQBFKW-ODLFYWEKSA-N 481.777 6.536 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)cc1 408743612 HDDURIULEKZSBA-QNGOZBTKSA-N 457.530 5.134 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Cl)c1 408746064 WYQOQMNBBRGXQT-JAIQZWGSSA-N 451.353 6.735 50 40 JKGB COC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)o2)c1C 408748025 XDTVLJIEDAKHRO-QINSGFPZSA-N 465.303 5.350 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccccc1F 408793500 FNSHLPKFQCYOEL-RGVLZGJSSA-N 464.924 6.229 50 40 JKGB Cc1ccc2ccccc2c1COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1 408796071 DEYOQOSQFJZNQC-CJLVFECKSA-N 497.392 7.035 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408806905 CDZQXCXDJDBJOL-ZDLGFXPLSA-N 495.894 5.911 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccccc1F 408808729 FVBUPHKNUFUFGR-GZTJUZNOSA-N 469.285 5.852 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(Br)cc1OCc1ccc(F)cc1 408854656 ATEXZAVQSBARRJ-UVHMKAGCSA-N 489.316 5.469 50 40 JKGB N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1 408875610 KPVRCAVLUSLHJN-WOJGMQOQSA-N 469.741 6.378 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1Cc1cccc(F)c1 408884271 UAFMUGUWGXIUDU-HYARGMPZSA-N 458.489 5.147 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(OCc2ccccc2F)c1 408886769 MBECGEJIORLYDT-LDADJPATSA-N 481.321 5.721 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(I)cc3)c2C)cc1 408888493 WBEACAFNRFYVIH-CPNJWEJPSA-N 481.337 5.553 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Cl)c1OCc1ccc(C)cc1 408890611 WLGICPVSLZFQSK-STBIYBPSSA-N 473.960 5.791 50 40 JKGB Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 408890909 IHRUSBHRRZJHEK-HZHRSRAPSA-N 477.520 6.490 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1c(Cl)cccc1Cl 408922954 HVWLPQALNYYNKD-HMMYKYKNSA-N 473.359 7.271 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)NCCCc2ccccc2)c2ccccc2n1Cc1ccccc1C#N 409239353 MFLSXMCJTGDBAF-ITYLOYPMSA-N 458.565 5.526 50 40 JKGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3Cl)=C2C#N)cc1Cl 409310116 QOEQDRZJUYSMMZ-LBPRGKRZSA-N 496.803 5.366 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)c1cccc(F)c1 409390459 FNSRPENNEUDKKU-QRVIBDJDSA-N 458.330 7.385 50 40 JKGB O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1Cl)c1ccco1 409399275 YSXJHAWZGAYMFB-UHFFFAOYSA-N 483.911 6.064 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(C)c(C)c4)c32)ccc1OCc1ccccc1 664754 WGDXVXHJHPFMRI-RUZDIDTESA-N 478.552 5.499 50 40 JKGB CN(C)c1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)c(Cl)c1 1739619 WHHDDGSMBSULPP-VULFUBBASA-N 455.345 5.076 50 40 JKGB COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 3090629 YVDUWRLJYDKWGR-RPPGKUMJSA-N 460.292 5.157 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccc(F)cc1 8566415 BFVCICYIMKICDZ-HSZRJFAPSA-N 468.488 5.022 50 40 JKGB COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OC(=O)COc1cccc2ccccc12 9090506 IIVKUZVXTRRQFI-CJLVFECKSA-N 494.551 5.215 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1ccco1 9635950 CRXKSJSVOFNNRN-MSXFZWOLSA-N 472.357 5.077 50 40 JKGB N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 12251077 RRGASVMPYOHJEE-HSZRJFAPSA-N 488.012 6.138 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(n1cccc1)=C(C#N)[C@]21C(=O)Nc2ccccc21 12402278 SGPIHZJRLSNCFE-LJAQVGFWSA-N 478.527 5.373 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C2=C(CCCC2=O)N1 13174274 DGRRJOQTMKQCRJ-NRFANRHFSA-N 453.951 5.042 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)NC(SCCCC#N)=C(C#N)[C@@H]1c1cc(OC)ccc1OC 20348176 LFJXQJNALYTKPK-QHCPKHFHSA-N 489.597 5.137 50 40 JKGB COc1ccc(Br)cc1/C=C(\C#N)c1nc(-c2cccs2)c(NC(C)=O)s1 26771317 NDIBNERWNPTZNU-MDWZMJQESA-N 460.378 5.665 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(OC)c1OCc1ccc(F)cc1 34799700 FWZPTMCESLFEFP-HMAPJEAMSA-N 453.517 6.391 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 34829493 KRJWWGPCGBDIPK-WCMJOSRZSA-N 486.402 6.842 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccccc1Cl 35153671 HXZXZROLLBHYOO-MUFRIFMGSA-N 474.944 5.853 50 40 JKGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)cc(Br)c1OCc1ccccc1 40912391 DUGDCZQGPSMXQB-MZJWZYIUSA-N 497.389 5.183 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1O[C@@H](C)CC 96540774 XFJQSGPERKBQBV-BRLDDBHUSA-N 465.981 5.663 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 106380165 HNJWYRMIVDYHBT-BKUYFWCQSA-N 482.382 7.903 50 40 JKGB N#C/C(=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)c1ccc(C(=O)O)cc1 108156458 RUGCDCVOKQECCR-JCMHNJIXSA-N 450.450 6.089 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccccc1F 108268416 MUJFRYMQNHJWGA-ZHZULCJRSA-N 473.504 5.096 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(C)n(-c2sc3c(c2C(=O)O)CCCC3)c1C 109408869 XGWBIFCTCQCLFW-GRSHGNNSSA-N 495.608 5.741 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1 216042418 YWJIDCRUYAYOPC-DICXZTSXSA-N 481.390 5.346 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1Cl 408579422 HGKLWNAIRXGALM-LFIBNONCSA-N 457.744 6.728 50 40 JKGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 408725449 PCXVHGWWFDMLCN-UZWMFBFFSA-N 482.543 6.315 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)c1 408745887 WEKDSNHLGZCREF-UQQQWYQISA-N 479.555 6.666 50 40 JKGB Cc1c(Cl)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1C 408748116 YPBLLCDQNWXTSH-PDGQHHTCSA-N 468.782 6.364 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408811769 LXZMKGIVBDYHQM-LDADJPATSA-N 494.809 7.504 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 408817398 VVOOIGZYPNTDJH-HYARGMPZSA-N 495.406 6.237 50 40 JKGB CC(C)c1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1 408839050 MDIRESHQSSNXPN-RWPZCVJISA-N 475.017 7.094 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3cccc(F)c3)c(OC)c2)cc1 408872198 AZWWNVPOYLPRTH-VCHYOVAHSA-N 495.348 5.742 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1cccc2ccccc12 408880338 JJUVLHSLSACOIB-IPPBACCNSA-N 483.782 7.143 50 40 JKGB COc1ccc(C(=O)N/N=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1 408922691 GBASTPXJCDZVOG-ZCTHSVRISA-N 460.533 6.345 50 40 JKGB O=C(N/N=C\c1cccn1-c1ccc(Cl)cc1)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1 408939319 IKIJPLHRBYKPJM-LQNQUEJISA-N 473.020 6.826 50 40 JKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1C 408963502 BYAOOYQFEROURV-BRJLIKDPSA-N 450.882 5.474 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1cccc(C)c1 409026830 ZEOKRELSMTZZKX-VULFUBBASA-N 491.594 5.075 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCC(C)C 409037177 XWDZMSOAVAQDIH-RHANQZHGSA-N 453.542 5.709 50 40 JKGB Cc1ccc(Sc2ccc(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])cc1 409110780 GSSVLUYSLBKIEU-ROTLSHHCSA-N 490.368 5.890 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OC)c1OCc1ccc(Br)cc1 409194033 MPTMLEGOLLYNJB-STZFKDTASA-N 495.417 5.731 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1F 409202594 RWHVBLMLQQELCD-KKMKTNMSSA-N 493.387 5.963 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Br 409243186 ZQZNNWYDTWBLGV-LWLPBDFMSA-N 478.184 5.395 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1OC 409311645 GTPGEBPUFGDHLS-VYYCAZPPSA-N 473.356 5.744 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c1 409379400 WTNJPRHUNCRYIJ-BOPFTXTBSA-N 479.895 5.051 50 40 JKGB Cc1ccc(NC(=O)NN(C(=O)Nc2ccc(C)cc2)c2nc(-c3cccc(O)c3)cs2)cc1 1415261 PAMGNIZFLXSQQZ-UHFFFAOYSA-N 473.558 5.908 50 40 JKGB Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 1887978 CGVBDLHDNYDKEI-YDYXIROLSA-N 473.985 5.713 50 40 JKGB N#CC1=C(SCC(=O)Nc2cccc3ccccc23)NC(=O)C[C@H]1c1ccc(Cl)cc1Cl 2309863 ZWBGVGQKJWIOMK-SFHVURJKSA-N 482.392 5.857 50 40 JKGB CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2 2366287 MABMKMSZQIVDNI-LRXXLLMYSA-N 491.682 7.176 50 40 JKGB Cc1cccc(N/C(SCc2cccc(Cl)c2)=C(/C#N)S(=O)(=O)c2ccccc2)c1 2689723 PVMUFCCNXSGRPQ-GHVJWSGMSA-N 455.004 6.160 50 40 JKGB Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)c1COc1ccc(Cl)cc1 2726777 IUXYNIIEYSUDMS-RUZDIDTESA-N 477.004 6.295 50 40 JKGB C=CCc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)c1O 8431277 HTWRJRVXBWZISL-LQKURTRISA-N 470.598 5.070 50 40 JKGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 8780864 UMDYPTFZMHAFTN-BAXWRNDOSA-N 465.937 6.060 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(C#N)/C(O)=N/c2ccc(Cl)cc2[N+](=O)[O-])o1 9057420 ROAOVDRZOICRPD-UKTHLTGXSA-N 452.810 5.920 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3C)c2C)cc1 12586162 CBUGUNDHNJMVTL-KGENOOAVSA-N 472.501 5.033 50 40 JKGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)c2C)c1 15018555 XKTKWTQNBMNFFH-MUFRIFMGSA-N 465.509 5.544 50 40 JKGB O=C(N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)[C@@H]1COc2cc3ccccc3cc2O1 15938487 CGNGUCFRMGZOHA-DODIXHKQSA-N 466.415 5.409 50 40 JKGB COc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)c(NC(=O)c3ccc(C)cc3)s2)cc1 27562575 VHZOAEKNPKEMHO-CJLVFECKSA-N 451.551 6.444 50 40 JKGB COc1ccc(/C=N\NC(=O)c2sc3ccccc3c2Cl)cc1COc1ccc(F)cc1 33351808 DKAUVTFKHWYQFF-WKIKZPBSSA-N 468.937 6.045 50 40 JKGB N#CC(=C\c1ccc(OCCCOc2ccccc2)cc1)/C(O)=N/c1nc2ccccc2s1 41120642 IDDCZKKVNFKGEZ-LVZFUZTISA-N 455.539 6.339 50 40 JKGB COc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)cc1OC 105054478 SGXLCYNIDZPCNR-ZMFRSBBQSA-N 459.329 5.354 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)c(C#N)c1C 408547466 XDFMGLYWJKLLKZ-MHWRWJLKSA-N 464.930 5.737 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(Cl)c(Cl)c1 408585118 AKSIZGCGKWCEDA-WQRHYEAKSA-N 459.170 7.399 50 40 JKGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccc(Br)c2)cc(C(C)(C)C)c1O 408753575 NMWOXFJRWIEPIO-CVKSISIWSA-N 459.428 5.833 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1Cl 408780155 UBHJJGBYZJMZHX-QOMWVZHYSA-N 498.026 5.903 50 40 JKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c1 408784308 QHMLRJUYVVIOEW-MHWRWJLKSA-N 450.878 5.631 50 40 JKGB CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 408784376 RYZNRFCGFKPIRI-UUASQNMZSA-N 496.174 5.361 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)c1 408788297 CCTABGJWOFGNEN-VXLYETTFSA-N 485.798 7.388 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 408792324 ARRPQKZMHQLRSN-LDADJPATSA-N 478.302 5.482 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1cccc(F)c1 408817973 XHCUHYHQYIFENS-XKZIYDEJSA-N 460.505 5.035 50 40 JKGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OC 408823624 OAVDZJZHYQLZOH-HYARGMPZSA-N 488.971 6.347 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1Cl 408833768 UWQLADANVBAATR-PXLXIMEGSA-N 458.945 6.338 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(Br)cc2)cc1 408856668 JOGGFUSWNWCKCT-PKAZHMFMSA-N 458.359 5.979 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)cc([N+](=O)[O-])c2O)cc1 408857290 LQTHJJVGOCLJSR-DICXZTSXSA-N 474.904 5.484 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 408866840 JKUTVCLKQQVJDG-YBFXNURJSA-N 485.798 7.334 50 40 JKGB COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccccc3Cl)cc2)C2=C1CC(C)(C)CC2=O 409130235 KWJKFZFREMQRQM-VWLOTQADSA-N 492.019 5.302 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4cccc(C)c4)c(OCC)c3)cc2c1 409184471 LJULXFXLQWHTQH-RHANQZHGSA-N 472.541 5.882 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1ccccc1 409251288 UPCHYFWODUFTBB-WCEBZYJUSA-N 451.353 6.357 50 40 JKGB Cc1ccc(C(=O)NN(C(=O)NC2CCCCC2)c2nc(-c3ccc(F)cc3)cs2)cc1 1415271 AVCOLRHULKTDGM-UHFFFAOYSA-N 452.555 5.451 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 8812216 VLXVLSBVZMHFHJ-LQKURTRISA-N 456.477 5.572 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl 9310243 FSEZNTXCNZYBRC-VCHYOVAHSA-N 455.297 6.553 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 9805832 QEMYSLTYMBDLPU-LFIBNONCSA-N 471.429 5.634 50 40 JKGB CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccccc2)N1 12250132 MZFGZMOVVKYIFC-AREMUKBSSA-N 497.620 6.156 50 40 JKGB Cc1ccccc1C[C@@H](C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1 16157921 PXBJTIURWYYXSH-AJCQQECZSA-N 477.391 7.038 50 40 JKGB CCOC1(OCC)OC(c2ccccc2)=C(C#N)[C@H](/C=C\c2ccccc2)C1(OCC)OCC 17106074 ICXWWOOXSACVDA-DRSJLOCZSA-N 463.574 5.777 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc(Br)c1O 17113305 JLWRLKFXSSMZJQ-GIJQJNRQSA-N 469.404 6.549 50 40 JKGB Cc1c(Br)c(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c(C)n1-c1ccccc1 20243838 YEYADLITMJPIAE-MJDKSPQASA-N 470.436 5.629 50 40 JKGB Cc1c(Br)c(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c(C)n1-c1ccccc1 20243908 NVVDVYGCACMLRF-AFUMVMLFSA-N 490.854 6.143 50 40 JKGB Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl 28216228 BHYULCFCPQXONR-OPEKNORGSA-N 466.821 6.297 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Br)cc1 28217448 GMBJRXHRVLLRQN-FOKLQQMPSA-N 475.730 5.182 50 40 JKGB CC[C@@H](C)Oc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC 35153716 COPLDMUQSKFAPT-NXYZXBHKSA-N 485.378 5.561 50 40 JKGB N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@H]1c1c(F)cccc1Cl 38680258 RNOCRGFSPUQWEU-HXUWFJFHSA-N 489.717 6.223 50 40 JKGB Cc1ccc(CS/C(Nc2cccc(Cl)c2C)=C(\C#N)S(=O)(=O)c2ccccc2)cc1 56918338 AVMCPPOCXMASJQ-WCWDXBQESA-N 469.031 6.469 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1OCc1cccc(Cl)c1 59201059 FLWNMJWHSGLAGA-HYARGMPZSA-N 460.961 6.426 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)o1 59305208 WXHLTLDVTGSBEY-FOKLQQMPSA-N 468.263 5.436 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)cc1F 97993163 UGINFUXANZQMJF-XLNRJJMWSA-N 486.591 6.213 50 40 JKGB Cc1ccc2[nH]c(/C(C#N)=C\c3cc(Br)c(O)c(I)c3)nc2c1 106599246 VEYVJQBQNQDNKC-WZUFQYTHSA-N 480.103 5.008 50 40 JKGB C=CCn1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21 107579319 GTVLXKUSHWJPIS-MNBJERMJSA-N 492.579 6.171 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 108004262 AZWKQPZWJCNIGU-WQRHYEAKSA-N 481.415 6.559 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(C)n(C)c4ccccc34)o2)cc1 108975418 ZJAUXJVVJVMUDH-LQNQUEJISA-N 480.568 5.830 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 207152480 QTLNTEPXYLUGOL-UNOMPAQXSA-N 467.352 6.517 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2)cc1 408764567 JJGCXWWZWSEREW-SFQUDFHCSA-N 487.364 5.615 50 40 JKGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cccc2ccccc12)S(=O)(=O)c1ccccc1 408784154 SUPBPCWSIRAZFU-OGLMXYFKSA-N 492.000 5.147 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 408787824 GUBROXJPRUQSOB-REZTVBANSA-N 489.761 7.219 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)cc1O 408787861 GZNUHSUFSDTGTP-WOJGMQOQSA-N 479.330 5.288 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1C 408802809 HRHBZOYZFXGECD-VXLYETTFSA-N 485.798 7.388 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(Cl)c1OCc1ccc(Cl)cc1 408808935 FYHOIJUIJNITSN-UGPDPKQLSA-N 473.400 6.183 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(Br)c1OCc1ccccc1 408810183 JBWHIMZKXHXAGY-GHUUQALQSA-N 483.406 5.639 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1Cc1ccccc1Br 408865929 FIKJMGFEGGEJIX-OEAKJJBVSA-N 489.413 6.601 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 408889978 MBXWDVYBTBAJPU-LDADJPATSA-N 461.861 5.322 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1cccc([N+](=O)[O-])c1 408985671 XLKUDHZJRQJJMX-UDWIEESQSA-N 491.931 6.080 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cccc(Br)c2)c(C)n1-c1sc2c(c1C#N)CCCC2 408999111 KGRHMVJEXAFTNX-ZMFRSBBQSA-N 481.419 5.433 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c1C 409021733 VNSVJAGGDMOCLW-ROTLSHHCSA-N 466.881 5.174 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1OCc1cccc(Cl)c1 409073508 PXXWFPWNJQSISI-ZVHZXABRSA-N 486.999 6.819 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccccc1 409092127 VLFGBVAXVRIAGT-XNTDXEJSSA-N 464.821 5.494 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1cccc(C)c1 409188706 KGWAFIIQPJIUFO-NDENLUEZSA-N 483.406 5.701 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409224167 JHNPKIIRCTWBLQ-CPNJWEJPSA-N 475.932 5.220 50 40 JKGB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1 409375291 IMLNVOTVPLMAMN-UYRXBGFRSA-N 475.932 5.220 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(CSc4ccc(C)cc4)c32)ccc1OC(C)C 660155 XINNVFXNJHVGCY-JOCHJYFZSA-N 462.575 5.024 50 40 JKGB CCCc1c(Cc2c(F)cccc2Cl)c(=O)oc2cc(OP(=S)(OCC)OCC)ccc12 2157429 FFULAHRSBARJHU-UHFFFAOYSA-N 498.940 6.805 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSCc2ccccc2C)ccc1OCc1cccc(Cl)c1 3089381 QTTBCWJRQOCCME-RWPZCVJISA-N 483.033 6.010 50 40 JKGB C/C(=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)c1cccc(NC(=O)C2CCCCC2)c1 8454801 JPELOIFKEVNONL-GBSSGUAQSA-N 455.986 5.475 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 8812692 YJLAYHOPRWXHEG-UVHMKAGCSA-N 480.337 5.364 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 9311040 XDOQZZIVYGXXPR-KGENOOAVSA-N 473.359 7.271 50 40 JKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C\Nc3cc(C(F)(F)F)ccc3Cl)n2)cc1 9335094 PIOMUGGGKFRMAQ-ATVHPVEESA-N 461.940 7.657 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 10475990 MHSGGABNKYRCAT-RWPZCVJISA-N 487.383 5.673 50 40 JKGB COc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1 12273759 REEQEGFJEMWWAH-YDYXIROLSA-N 489.984 5.414 50 40 JKGB COc1ccc(/C(C)=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1OC 20240639 VXKXWFNJRGSLRD-DFKUXCBWSA-N 485.628 5.313 50 40 JKGB COc1ccc(OC)c(/C=N/NC(=O)CCn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c1 26571049 FRRVFXKCGGCKAN-MZJWZYIUSA-N 470.356 5.659 50 40 JKGB N#C/C(=C\c1c(Oc2ccc(Br)cc2)nc2ccccn2c1=O)c1nc2ccccc2[nH]1 26842321 ADZWYAJKRUFDOF-FYWRMAATSA-N 484.313 5.190 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)C12CC3CC(CC(C3)C1)C2 33732747 LQVIOXSPNWLGIW-RGXNXFOYSA-N 451.614 6.841 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCc1ccccc1Cl 59117322 GEFDFNWIZWIZPQ-GZTJUZNOSA-N 487.770 6.780 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)c1C 59202225 MKVYIZNREGTENI-KGENOOAVSA-N 484.397 6.615 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1F 59224471 COYFMQXNVDYBIP-WQRHYEAKSA-N 499.767 6.675 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 59336196 UZPLHQRXKKLRDW-WMZJFQQLSA-N 460.100 5.309 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccc(C(=O)O)cc1 98210370 ZHEXFBYYHTUNDU-CIAFOILYSA-N 453.498 5.530 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C\c1ccc(OCc2ccccc2Cl)cc1 100062722 HTRGADDUZAVPDV-QFEZKATASA-N 457.755 5.374 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)cc2Br)cc1 108099382 NYZZETZCKOXLNB-ODLFYWEKSA-N 492.329 5.747 50 40 JKGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](C5(CBr)OCCO5)[C@@]4(C)CC[C@H]32)C1 245239850 MSDUUFXAHQPGOH-LTEPCVALSA-N 481.471 5.635 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408567365 DDTSQNZVUQUWIH-APSNUPSMSA-N 478.867 5.915 50 40 JKGB CC(C)COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1Br 408600229 ALJSYPRFOMBNQI-UFFVCSGVSA-N 454.162 5.010 50 40 JKGB O=C(N/N=C/c1ccccc1Cl)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 408733520 YVUNUYTWZOBKKK-RUMWWMSVSA-N 475.979 7.229 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(Br)c2)cc1 408746025 WOJNFAVISXQFLN-ZHZULCJRSA-N 477.358 5.972 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c1 408746058 WXPUGCVWUDYYLQ-UYRXBGFRSA-N 460.364 6.851 50 40 JKGB N#C/C(=C/c1ccc(OC(=O)c2ccccc2Br)cc1)C(=O)Nc1ccc(Cl)cc1 408753665 KGHWRTBSJUPCMO-SSZFMOIBSA-N 481.733 5.867 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc2ccccc2c1)C(=O)Nc1ccc(O)cc1 408791115 UGHLDPOZAYPCGF-HYARGMPZSA-N 499.364 6.433 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 408800934 QFTJGMNWXHWUMK-OVBDPADQSA-N 488.418 7.089 50 40 JKGB O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 408878133 WTMYVZAVNPWANB-UXHLAJHPSA-N 463.984 5.698 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1cc(C)cc(C)c1 408878771 AYGKDFHQZIQWRX-ZMOGYAJESA-N 489.015 7.097 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3cc(C)cc(C)c3)c(OCC)c2)cc1 408880668 HTQZWMWAUNGXEE-OEAKJJBVSA-N 489.015 6.891 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c1 408987599 FWGYCEBXNRMXPU-NDENLUEZSA-N 495.804 6.844 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1)C(=O)Nc1ccc(O)cc1 409050189 SIEHMBAGHBSWDI-CXUHLZMHSA-N 457.288 5.963 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)c1C 409058123 RMHOLCDLVZWDJV-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 409136795 ZOBHRNVULZWZIA-JOCHJYFZSA-N 473.743 6.150 50 40 JKGB COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1Cl 409393493 XUKWYNRIZHCUQT-DXJNIWACSA-N 484.983 6.210 50 40 JKGB Cc1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c(=O)n(-c2ccccc2)n1C 2278375 XXVLIZSZTOUQJL-FOWTUZBSSA-N 493.350 5.597 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2368203 ZMEZSCFCYVUKLR-GFPZRUSRSA-N 457.530 5.199 50 40 JKGB CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(F)cc2)c(OC)c1 3296456 CDWIPXGKMVYEQM-PXLXIMEGSA-N 472.516 5.724 50 40 JKGB O=C(O)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 6445689 PFNDLHUUVRPUCP-LNRUOBPOSA-N 498.963 6.471 50 40 JKGB Cc1ccc(NC(=O)N(NC(=O)c2ccc(C)cc2)c2nc(-c3cccc(O)c3)cs2)cc1 8754341 IYTZFZPVMAEENC-UHFFFAOYSA-N 458.543 5.516 50 40 JKGB COc1ccc([C@H]2C(C#N)=C3SCN(c4ccc(C)cc4)CN3CN2c2ccc(C)cc2)cc1 12250561 DCQQEFRLBLNWKG-MHZLTWQESA-N 468.626 6.036 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 12590149 BMSNUGUQZMJXRK-XQNSMLJCSA-N 493.519 6.271 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OS(=O)(=O)c1ccc(C)cc1 14359909 ZJTZFUXHGULKNF-XSFVSMFZSA-N 486.549 5.351 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccc(C)cc2C)ccc1OCc1c(Cl)cccc1Cl 16285015 ACYYGSZXVJQCJL-XODNFHPESA-N 487.383 5.727 50 40 JKGB N#CC1=C(N)O[C@@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl 16488876 HUXGBZDILHAPAC-JTDSTZFVSA-N 453.251 5.182 50 40 JKGB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)N/N=C/c2cccc3ccccc23)cc1 19926585 USAKODJIVJTZKM-OGLMXYFKSA-N 492.000 5.223 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)n1 28217123 ATYFKWHVPXCYLY-YSURURNPSA-N 462.406 5.050 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1Cl 28217436 MXRGWVAXQRLKPT-YSURURNPSA-N 465.724 5.726 50 40 JKGB CCOc1cc(/C=N\NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccco1 30738530 YFUPGVWZDDSBPC-FMXBHCEESA-N 474.557 5.449 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Br)cc1 35401971 ZYYPEDBFLZWQAV-NDENLUEZSA-N 479.330 6.399 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 59117593 POLOETIVQDJSQJ-GZTJUZNOSA-N 480.782 7.195 50 40 JKGB N#C/C(=C/c1cc(Br)cc(Br)c1O)C(=O)Nc1cccc(Cl)c1Cl 59335942 DIAVEXKEPBGIEM-WTKPLQERSA-N 490.966 5.770 50 40 JKGB CCCCCCCCCCCCCC(=O)NNC(=O)c1c(O)n(CCC)c2ccccc2c1=O 97949430 LIVIOJWOUXRHJK-UHFFFAOYSA-N 471.642 5.579 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2CC[C@H](C2)[C@H]1P(=O)(c1ccccc1)c1ccccc1 103438711 QFKSDBYGNQVKML-UIFXRJKDSA-N 496.527 6.182 50 40 JKGB O=C(COc1ccccc1Cl)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 105052498 HVKVGHNHWSCJKI-RPPGKUMJSA-N 463.748 5.755 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c(OC)c1 107964620 WQZMNNHPJITYQH-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c1C 408691917 XYBKWXBHBKJEDK-RPPGKUMJSA-N 473.802 5.381 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1Cl 408726072 OSFXBKNZEYGWKT-HMAPJEAMSA-N 460.961 6.480 50 40 JKGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)c1 408743530 GLQKYXFVJXZRSF-UNOMPAQXSA-N 478.346 5.189 50 40 JKGB N#C/C(=C\c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1cccc(Cl)c1 408764305 SUXWPSXZWYHKKR-FYJGNVAPSA-N 488.952 5.807 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)c3cccc(Br)c3)c2C)sc2c1CCCC2 408775188 FXTVMJKUCCNNEC-UNOMPAQXSA-N 495.442 6.648 50 40 JKGB Cc1cc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)cc([N+](=O)[O-])c1C 408848045 XUYDPYUZYQGMDW-DHDCSXOGSA-N 456.285 6.324 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Cc1cccc(F)c1)C(=O)Nc1cccc(Cl)c1 408865179 BIVZSHGHZGNUCH-WOJGMQOQSA-N 469.741 6.378 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(F)c1)C(=O)Nc1ccc(Br)cc1 408886114 IDDBCPLMHKXXMD-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1OCc1ccc(C(=O)O)cc1 408966045 LDMOVMCWBFELRN-OCSSWDANSA-N 497.551 5.144 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1cc(OC)ccc1OC 408987787 YEHYQVVXLBBAEZ-CPNJWEJPSA-N 455.514 5.622 50 40 JKGB CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 409046825 MOFTYHSQAHNLEC-KPKJPENVSA-N 468.120 5.295 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409074770 VMILUIRHHGJDHW-XDHOZWIPSA-N 498.944 5.787 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(OCC)ccc4o3)c2C)c1 409186684 GMEDPBKTKJTHOS-NTFVMDSBSA-N 473.529 5.180 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)sc(C(C)=O)c1C 1870989 VBOATUFRQVZJFL-GDNBJRDFSA-N 482.543 5.444 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1 4196328 BMZSRXMSHPGZHP-VULFUBBASA-N 487.781 5.383 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 8812712 XLOHQRCTLNZINJ-DHRITJCHSA-N 473.754 5.454 50 40 JKGB CC(/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)=C\c1ccco1 9272247 LAORNPDUWGIZEU-NGQJDVRGSA-N 477.977 5.478 50 40 JKGB O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cc(Br)cs1 13943333 ZSEWXINAAWCMQX-AWQFTUOYSA-N 452.171 5.119 50 40 JKGB CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1cccc2ccccc12 14923831 LPZBLWSVDNXZLF-XLKFHUSGSA-N 460.534 5.046 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc(Cl)cc1 30809127 UBDUCQBDUGJNPZ-MWLSYYOVSA-N 474.944 6.166 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)c1C 59201417 LDYAUPXPVJGPLK-UDWIEESQSA-N 451.353 6.735 50 40 JKGB CSc1nc(-c2ccccc2)nc(O)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 96022877 RGYNXBHUCVVMQR-UHFFFAOYSA-O 479.565 5.191 50 40 JKGB O=P(/N=c1\nc(-c2ccccc2)n(-c2ccccc2)s1)(Nc1ccccc1)Nc1ccccc1 101387907 BUARWZFFQHIBKU-URGPHPNLSA-N 483.537 6.834 50 40 JKGB Cc1c(O)c(CN(C[C@H](C)Cl)C[C@@H](C)Cl)cc(CN(C[C@@H](C)Cl)C[C@@H](C)Cl)c1O 104051041 CRTRJJFNURFWEE-FPCVCCKLSA-N 488.327 5.519 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(Br)cc1 108233506 KYQZLGRREFLMJE-ZRDIBKRKSA-N 462.130 6.562 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2F)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 408552901 LMPFSJLWOZDGTO-UKTHLTGXSA-N 496.361 6.206 50 40 JKGB N#C/C(=C\c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1)c1ccc([N+](=O)[O-])cc1 408554110 ZHWIEGVPOMEGPL-LICLKQGHSA-N 468.296 5.983 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)C(=O)Nc1ccccc1 408740998 GGWITJSVABVCOK-UNOMPAQXSA-N 477.314 5.272 50 40 JKGB CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccccc3)c2-c2ccccc2)cc1 408741018 GNMQWINCNBJRSY-GZZLJNBRSA-N 485.587 6.974 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2cccc(C)c2)cc1 408772635 GKGSABLUPOVCND-UHFFFAOYSA-N 497.705 6.276 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1cccc2ccccc12 408792977 CLIQBDMTIHEGMA-PCLIKHOPSA-N 462.549 6.590 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1C 408794162 ICKLDTWPXJHWRB-DJKKODMXSA-N 469.343 6.874 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OCC)c1OCc1ccccc1C#N 408798763 XCJZIRHXSKSVGF-WGOQTCKBSA-N 477.564 6.119 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OCc1cccc(C)c1 408817576 XYPGFDGKXXSDAO-HAHDFKILSA-N 456.517 5.996 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2cccc(C(F)(F)F)c2)cc1 408838025 QQMDAZWTKNOEDW-UHFFFAOYSA-N 495.567 5.426 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OCc2c(C)ccc3ccccc23)c1 408850238 JACGXYXLHZZMHH-PXLXIMEGSA-N 466.512 6.421 50 40 JKGB N#C/C(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1cccc(Cl)c1 408884390 YXDWEKMFIKHKET-LFIBNONCSA-N 457.744 6.771 50 40 JKGB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=C2CCCCCCC2)cc1 408923956 IONPORLCGJGYPH-UHFFFAOYSA-N 462.015 5.136 50 40 JKGB Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)S(C)(=O)=O)cc1 409024623 LIZYEENDAHJWHI-VULFUBBASA-N 490.412 5.032 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c(Cl)c1 409053708 ONQRIGIXQFXGIQ-BRJLIKDPSA-N 458.301 5.553 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(F)cc1 409074779 VOENNQGEXMKZHH-WOJGMQOQSA-N 495.304 5.411 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)OCO3 409097701 JCDYUCWAXLUNRQ-HSZRJFAPSA-N 467.308 5.519 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)OCO3 409107760 QIOKNBGLZSLSIL-JOCHJYFZSA-N 485.298 5.658 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1c(F)cccc1Cl 409198241 AMQQMLGSMJQFSC-MHWRWJLKSA-N 456.926 5.352 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1ccccc1 409244918 KNDMMMZUGOIADX-ZHZULCJRSA-N 459.471 6.563 50 40 JKGB COc1cc([C@H]2CC(=O)NC(SCc3cccc4ccccc34)=C2C#N)cc(Br)c1O 1302395 XQGXGIYPCOZGDC-GOSISDBHSA-N 495.398 5.589 50 40 JKGB Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1CSc1ccc(Cl)cc1 2111796 WMQWDWISEWGPGG-XMMPIXPASA-N 479.045 6.700 50 40 JKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 2231906 LQYKGCWHLUELAO-QPQZTTLASA-N 453.567 5.368 50 40 JKGB O=C(NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1c2ccccc2S[C@@H]2C=CC=C[C@@H]21 2280845 WSGJPXYPWJXVJQ-JTHBVZDNSA-N 490.592 5.718 50 40 JKGB N#C/C(C(=O)c1ccccc1)=C1/S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2337750 WQJMRKBCMDSXEB-QAKHZNQRSA-N 479.388 6.303 50 40 JKGB COc1ccc2c(c1)[C@H]1C(=S)SS[C@@H]1C(C)(C)N2C(=O)Nc1ccc(Cl)c(Cl)c1 3193825 JXDRAZZSUFJDHZ-SJORKVTESA-N 485.483 7.007 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1ccc(Br)cc1 9292566 CXBMIZLLRDOCRD-QFIPXVFZSA-N 499.368 5.636 50 40 JKGB COc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCCOc1cc(C)ccc1C(C)C 12285430 INEQGVPSHVUDMK-MTDXEUNCSA-N 461.562 5.740 50 40 JKGB Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 12364097 IOJZJJYRMXXTLI-MIXAMLLLSA-N 457.961 5.134 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N2CCCCCC2)c(Br)cc1OCc1ccccc1 12655225 RWRKKRMMXJCYRB-DEDYPNTBSA-N 469.379 5.346 50 40 JKGB O=C(/C=C/c1cccc([N+](=O)[O-])c1)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 13098405 PMFXWORIXAXJEQ-XJKKXWGUSA-N 497.429 5.237 50 40 JKGB Cc1cccc(C)c1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1C 14152016 KXGNRVVXSPLSKO-FYJGNVAPSA-N 454.599 6.069 50 40 JKGB CCCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 19816236 GNLYZBQDDKUARK-LVJXIGIWSA-N 452.385 5.864 50 40 JKGB CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)C(C#N)=C(SCc2ccccc2Cl)N1 20025961 AABJKCCUKKCGGX-JOCHJYFZSA-N 487.452 6.964 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 30817706 RMSNEUNXOSJVBA-CFRMEGHHSA-N 484.852 5.111 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Cl)cc1Cl 48573574 IWPGWYHGWFTXMH-OKCVXOCRSA-N 499.438 7.033 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl 58916896 DATWGWZFRRCNBU-KBKYJPHKSA-N 480.848 6.438 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccs2)cc(Br)c1OCc1ccccc1 59197659 PUIQXWZIHWDLHA-YDZHTSKRSA-N 459.365 5.252 50 40 JKGB COc1ccc(-n2nc(C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)nc2-c2ccccc2)cc1 96191736 OXAFMSOVDUPFFF-MTDXEUNCSA-N 453.546 5.004 50 40 JKGB O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1 103592224 QRGFCUMEVZLUOX-AWNIVKPZSA-N 454.276 5.555 50 40 JKGB Cc1ccc(C(C)C)c(OC[C@@H](CCl)S[C@H](CCl)COc2cc(C)ccc2C(C)C)c1 104816110 MWLDFEHNIRUNTF-FGZHOGPDSA-N 483.545 7.956 50 40 JKGB Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1 108975413 FXPNELBIYUFUOK-MWLSYYOVSA-N 466.541 5.820 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)c(C#N)c1C 408546687 MRQQJRZXIMWOHG-FYJGNVAPSA-N 493.588 5.827 50 40 JKGB C=CCn1cc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C(=O)OCC)c2ccccc21 408547127 RLYQRXMQUVXXFV-QGOAFFKASA-N 490.581 5.269 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(OCC)c1OCc1ccc(F)cc1 408553070 WSMDCJHIDLIJCY-QRQIAZFYSA-N 463.552 7.749 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)c2ccc(Cl)cc2)cc1 408581521 XPAMEVWMIZNXIO-LTGZKZEYSA-N 459.954 6.634 50 40 JKGB O=C(NNc1ccc(OCc2ccc(Cl)cc2Cl)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 408612836 YXSXVVIXFYGWEU-KRWDZBQOSA-N 470.356 5.069 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3ccccc3Cl)cc2-c2ccc3ccccc3c2)c1 408724095 FERUSPCFPJLLTJ-UXHLAJHPSA-N 464.956 6.418 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(C)cc1 408725540 LKKJKYIZJHUCOC-NDENLUEZSA-N 477.358 5.891 50 40 JKGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1Cl 408762772 GFHBXFLZUZWJQM-JFLMPSFJSA-N 499.375 5.678 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1 408767968 RQGUDXDNFIDTBM-JWGURIENSA-N 463.493 6.181 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c(C)c1 408799519 ZJEISYQICABDOS-VXLYETTFSA-N 496.350 6.643 50 40 JKGB N#C/C(=C\c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1)C(=O)Nc1ccc(Cl)cc1 408989011 GNMNSRUYKRVFFM-FMIVXFBMSA-N 482.930 6.148 50 40 JKGB Cc1c(C(=O)O)cccc1-c1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)o1 409032065 IQJBKKCGQKMVQC-LQNQUEJISA-N 475.504 5.932 50 40 JKGB O=C(O)c1cccc(COc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2Br)c1 409195506 VXVPHLVFYNCFER-BRJLIKDPSA-N 487.737 5.144 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(=O)Nc2cc(C)ccc2C)cc1 409266883 RYIFKOIZNLDFPZ-VYYCAZPPSA-N 494.389 5.156 50 40 JKGB CCc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 409361273 BZYDWPFEVKQJKI-WKULSOCRSA-N 464.396 6.252 50 40 JKGB Cc1ccc(C)c(CC(=O)N/N=C\c2cc(C)n(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c2C)c1 409365668 RIUXGNLBHLKRGP-YKQZZPSBSA-N 480.568 5.979 50 40 JKGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1 409390850 FZLYVQRSZQJFRW-MUFRIFMGSA-N 488.385 5.744 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(Br)ccc3OCc3ccccc3F)[nH]c2c1 409391542 JOCLHDSRJJIYRJ-YVLHZVERSA-N 478.321 6.116 50 40 JKGB Cc1cc(C)c([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)c1COc1ccc(Cl)cc1 647863 KPFOHQFZBKZRHU-WNCULLNHSA-N 483.015 6.438 50 40 JKGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3C)n2-c2ccc(Cl)cc2)cc1 1836107 VBKJJGFRSDVXAJ-JFLMPSFJSA-N 492.004 5.147 50 40 JKGB CCN(CC)c1ccc2c3c(c(=O)oc2c1)[C@H](c1cc2cccc(C)c2nc1Cl)C(C#N)=C(N)O3 6078540 ZHAMVTZFZCLADY-OAQYLSRUSA-N 486.959 5.367 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)ccc1OCC(=O)c1ccccc1 6906920 RWZSBKMTLIFELV-HMAPJEAMSA-N 452.535 6.145 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 8965062 LAUHPYOJSOGKJP-HYARGMPZSA-N 462.530 6.560 50 40 JKGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)c1nc2ccccc2[nH]1 9190900 REFKTFVOGZCTDD-BWAHOGKJSA-N 493.570 7.059 50 40 JKGB COc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 9346341 XMHQDTLUGVZDET-NJEMLTPYSA-N 483.593 5.377 50 40 JKGB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCc2ccc(Cl)cc2)N1 12250342 HOCVMIKARPJBHP-XMMPIXPASA-N 492.069 6.978 50 40 JKGB CCCCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 12273762 MTQSCXMGIDTFOQ-HFVAWESISA-N 481.621 6.094 50 40 JKGB CC(C)(C)c1ccc(/C=C(\C#N)c2nc(-c3ccccc3)c(NC(=O)c3cccs3)s2)cc1 16728781 BOFJMIVBKHGOFS-CAPFRKAQSA-N 469.635 7.486 50 40 JKGB CN(C)c1ccc(/C=N\NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)c(Cl)c1 17024100 WHHDDGSMBSULPP-WGARJPEWSA-N 455.345 5.076 50 40 JKGB COc1cc(/C=C(\C#N)c2ccccc2F)cc(Br)c1OCc1cccc2ccccc12 33626412 ZPUVCIYPWZAYRX-FYJGNVAPSA-N 488.356 7.393 50 40 JKGB COC(=O)c1ccc(COc2ccccc2/C=C(/C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 35239483 HRZDXWSVVYMWLE-BKUYFWCQSA-N 490.943 5.568 50 40 JKGB N#C/C(=C/c1cccn1-c1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1 59249939 QSZXUBMAKHXCEN-OWBHPGMISA-N 471.152 5.548 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 59435234 NKTZNDISHKBUKP-DHRITJCHSA-N 451.935 5.303 50 40 JKGB O=C(COc1cc(Cl)ccc1Cl)N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 67197051 BGVQBKLEPNQFJV-KALUYTGESA-N 457.235 5.801 50 40 JKGB CCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103527998 UOTHFHKVZHSSCN-SSDOTTSWSA-N 494.126 6.864 50 40 JKGB COc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N=C2CCCC(O)=C21 104083209 JRMQEASNXLRNSA-QHCPKHFHSA-N 479.989 5.990 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1Cl 216044123 JSBUTCVKGVAOEP-FDVSRXAVSA-N 485.411 6.281 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 408583700 WSQMBHXYRKPGTB-QGOAFFKASA-N 455.919 5.189 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 408742924 CTBDLNYODJVPLF-UNOMPAQXSA-N 481.777 6.536 50 40 JKGB COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)c2C)c1 408744552 FYKZJBRHFSSXMS-UNOMPAQXSA-N 463.921 5.088 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1cccc(Cl)c1 408753047 KZBYCQVZDHPXRT-YVLHZVERSA-N 454.755 6.056 50 40 JKGB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1C 408765580 YUSMLVASMVZGGL-WQRHYEAKSA-N 478.346 5.409 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1cccc([N+](=O)[O-])c1 408788133 INFOQWUBMYKOIP-LPYMAVHISA-N 471.513 5.735 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Br)cc1 408790198 UZNVOWDUTHOIMB-QGOAFFKASA-N 478.302 5.482 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1C#N 408795942 WQRWFVGCSSOGLT-SSDVNMTOSA-N 471.944 5.962 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(OCc2c(C)ccc3ccccc23)c1 408800589 PZSFDBFHCCTHPF-HYARGMPZSA-N 482.967 6.935 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2cccc(F)c2)c2ccccc12 408804170 CTXIHAFVGSVZTD-CPNJWEJPSA-N 473.935 6.345 50 40 JKGB C[C@@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 408808888 GJJYMHOKJWEVQL-UOBPLZBXSA-N 494.378 5.795 50 40 JKGB COc1cc(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OC 408852250 FJNYOAMNZRETJU-WDZFZDKYSA-N 456.123 5.319 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1OC 408871349 YRCYKOWMGCZAKW-LGJNPRDNSA-N 460.361 5.111 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccccc1Br 408890863 HPCJOEZNVKUIOQ-LDADJPATSA-N 479.330 5.288 50 40 JKGB COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)ccc2OC)cc1 408891944 WCIBJIHGNAYRIX-GZTJUZNOSA-N 497.334 5.775 50 40 JKGB Cc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1cccc(Cl)c1 408978650 JOMBIEIRURGIIC-IFSBUVSJSA-N 499.014 5.759 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 409046447 KRXKPZJZHICBBJ-CPNJWEJPSA-N 479.458 5.577 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)cc1Cl 409052203 IRMISWHJXXKOPO-KVSWJAHQSA-N 472.759 6.170 50 40 JKGB CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C2=C1CCCC2=O 409126348 BHKCJBZMACVKHV-JOCHJYFZSA-N 488.802 5.956 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c1OCc1ccc(C(=O)O)cc1 409188543 CVUUIBKJQZGFHD-HMAPJEAMSA-N 456.498 5.135 50 40 JKGB COC(=O)c1ccc(Cn2cc(/C=C(/C#N)c3ccc(Cl)cc3Cl)c3ccccc32)o1 409390736 GTHDXPYBPYGIIM-GDNBJRDFSA-N 451.309 6.440 50 40 JKGB Cc1ccc(N=C(SSC(Cl)(Cl)Cl)SSC(Cl)(Cl)Cl)cc1 1568316 RLLBLLGJNVXJGL-UHFFFAOYSA-N 482.159 8.401 50 40 JKGB N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 2318169 XBMQIUXEBAQTLC-UTDQILSNSA-N 494.403 6.058 50 40 JKGB COc1cc(/C=C(\C#N)c2ccccn2)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 8687522 PDXFJRAPLXQAAO-GZTJUZNOSA-N 453.420 5.191 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OC 11289686 TVCSUFHPZXSPHU-MDWZMJQESA-N 482.161 5.875 50 40 JKGB C/C(=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 12651448 HIYQLGRAWPTGNL-FMFFXOCNSA-N 488.509 7.105 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2ccccc2)ccc1OCc1c(F)cccc1Cl 13097560 VBJXQNWIEGDODR-CCVNUDIWSA-N 455.917 5.019 50 40 JKGB Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)c(C)c1 13174080 FSOQROVBFDMIKA-DEOSSOPVSA-N 492.044 6.066 50 40 JKGB CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCOCC2)cc1 13712758 LJTCGVBPAYIYGZ-PYCFMQQDSA-N 472.614 5.197 50 40 JKGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)OC)=C(C)N1 20029026 OKIXVFCFOUMQTE-HSZRJFAPSA-N 482.005 5.143 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccccc1 20347820 KMVZJRPMKPMLAC-QHCPKHFHSA-N 479.989 5.137 50 40 JKGB Cc1cc(/C=N/NC(=O)CCSc2ccccc2)c(C)n1-c1ccc(Br)cc1 28217003 XIWGLDUGPALKEV-BUVRLJJBSA-N 456.409 5.489 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1 33347202 RADDSJRYFXDQJH-ZDLGFXPLSA-N 499.748 6.662 50 40 JKGB O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 33497780 UGAJFAKQSVYPGA-SSDVNMTOSA-N 463.500 5.194 50 40 JKGB O=C(N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1cc2cc([N+](=O)[O-])ccc2s1 33765338 KIPSXQQKYBTXMZ-RMORIDSASA-N 460.298 6.140 50 40 JKGB N#CC1=C(N)O[C@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1c(Cl)cccc1Cl 35183008 XAOMVATWJGHFGS-QOKNQOGYSA-N 453.251 5.182 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 97951261 QMOXBWZCTRBTAV-JOCHJYFZSA-N 467.953 5.280 50 40 JKGB COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(O)CCCC3=N2)cc1 102505984 RMJKETCJZRUVLQ-OAQYLSRUSA-N 451.573 5.398 50 40 JKGB O=[N+]([O-])c1ccc2c(c1)[C@@H]([PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-2 104131030 WBNOBONEOLZWAR-HKBQPEDESA-N 473.512 6.391 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)c([N+](=O)[O-])cc1OCc1ccccc1 108071953 JHDINHRPGAKCRP-LQKURTRISA-N 485.496 5.108 50 40 JKGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc21 208261659 JYYDDATXQXXDOD-LELXDKESSA-N 461.009 5.809 50 40 JKGB CCN(CC)c1cc(OC)c(/C=N/NC(=O)c2ccc3ccccc3c2)cc1Br 408722065 CVNLGNGMNIXTRK-MFKUBSTISA-N 454.368 5.221 50 40 JKGB CCc1ccccc1N(CC(=O)N/N=C/c1cccc2ccccc12)S(=O)(=O)c1ccc(C)cc1 408789115 JKUUZAOWAKORHC-VUTHCHCSSA-N 485.609 5.056 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OCC)c1OCc1ccccc1C#N 408795879 NLMQAJURZJTWMI-PCLIKHOPSA-N 463.537 5.810 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408796694 OUPAERRJPGDYPF-RQZCQDPDSA-N 478.848 5.281 50 40 JKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 408809955 HVPIWMIMNZNFMY-DEDYPNTBSA-N 462.933 5.790 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OCc2ccc(Cl)c(Cl)c2)c1 408854133 YGMJSPWCQRHULZ-GZTJUZNOSA-N 471.315 6.266 50 40 JKGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408858022 IHXXORHWUMZLNL-YSURURNPSA-N 453.778 6.290 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1OC(=O)c1cccc2ccccc12 408886652 KZSUKGOGTZGOBK-ZCTHSVRISA-N 474.516 5.985 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1cccc(C(F)(F)F)c1 408965576 WBEKXGFSBCMLJG-VFLNYLIXSA-N 455.867 6.126 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccc(Cl)cc1 408993359 DKUFOPUUZDDTFW-ZMOGYAJESA-N 490.728 5.288 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1Cl 409052520 ULSJKTJFRRZMBE-KVSWJAHQSA-N 470.787 6.722 50 40 JKGB O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1)Nc1ccc(Br)cc1 409183595 DRIPLIYNJBEYKH-NHDPSOOVSA-N 450.745 6.002 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc(Cl)cc1 409201879 OVSYYFCFXGGRNX-ZDLGFXPLSA-N 499.748 6.662 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1 409226714 RUHHNLHELMTCBD-ZRGSRPPYSA-N 461.732 5.938 50 40 JKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 409230890 HBVJAOJPLDQJGQ-VBKFSLOCSA-N 458.892 7.056 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c(C)c1 409256514 OXKYIVNTEARSOO-DEDYPNTBSA-N 493.485 5.885 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1OC 409310145 RBPICMHOWPRZFB-QRQIAZFYSA-N 462.546 5.144 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(OCC)c2)cc1OCC 409313003 ALVCKUUOVLALPF-RHANQZHGSA-N 480.536 5.365 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 409366278 ZSCALDPDFTXIAQ-LQKURTRISA-N 472.932 6.087 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cn(Cc2ccc(C(=O)OC)o2)c2ccccc12 409391209 HZEIAISZEXHLRR-RGEXLXHISA-N 453.498 5.177 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccc(Br)cc1 409393633 ROKFFWKSKXSSEE-NDENLUEZSA-N 452.323 6.630 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 935251 YNYZFRDDVUFFGX-YDYXIROLSA-N 491.975 5.853 50 40 JKGB CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(CC)cc2)=C(C#N)[C@@H]1c1ccccc1Cl 2310108 CAGLRNRFHYDRJF-FCHUYYIVSA-N 498.004 5.242 50 40 JKGB Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1Cl 2425196 MBZRSFXZTPNNBF-XSFVSMFZSA-N 491.956 5.095 50 40 JKGB aggregator Cc1cc(CSCC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C)c1O 3112044 IVDODZROAOUTFE-UVHMKAGCSA-N 456.652 5.693 50 40 JKGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)c(OC)c1 3232320 VRKYDXRHDHDXBA-CPNJWEJPSA-N 476.916 5.260 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C\c3cccc(OCc4ccccc4)c3)n2)cc1OC 9183561 MDWKJXVXCBXPJC-XKZIYDEJSA-N 454.551 6.470 50 40 JKGB Cc1cc(NC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)ccc1Br 9265155 CXDXLDIAIQFBBF-DHRITJCHSA-N 453.384 5.938 50 40 JKGB CCOc1ccc(-c2[nH]nc3c2[C@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O3)cc1OC 9308588 ZURQOVDQJZYLLR-QGZVFWFLSA-N 457.317 5.009 50 40 JKGB C/C(=N\NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1)c1ccc2c(c1)Nc1ccccc1S2 13016656 XJCPZCDVVFCLKO-BIZUNTBRSA-N 490.588 6.353 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2F)cc1OCc1ccccc1 13388123 WPUJWJBVHSBTRQ-WOJGMQOQSA-N 481.321 5.721 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)o2)cc1 13388130 SUSCQTFGDCYGOQ-LFIBNONCSA-N 499.401 5.596 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(Br)ccc3OCc3ccccc3Cl)[nH]c2c1 33597074 QSVYQWPMZJQOMW-WQRHYEAKSA-N 478.777 6.930 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(I)cc1 33701340 YASGPBVXQSPQPO-FSJBWODESA-N 477.733 5.116 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12 58871614 ISOUOHNKJXCOMR-OGLMXYFKSA-N 469.497 5.490 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)cc1 59335457 ZJIBMBYCOPBSGB-UQQQWYQISA-N 496.010 7.181 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 59335641 KIOBFGAEQIPCRH-HMAPJEAMSA-N 477.391 7.155 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 59336029 DMBDLEOXVGKPSW-UYRXBGFRSA-N 482.367 6.123 50 40 JKGB BrC(Br)c1ccc2cc(C(Br)Br)ccc2c1 98043334 RABGWLIVQBSDGB-UHFFFAOYSA-N 471.812 6.417 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@H]1[C@H]2c3ccccc3C=CN2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 102587167 UYDDPTCNFUMGFE-UJOGNLFBSA-N 485.562 6.572 50 40 JKGB O=[N+]([O-])c1ccc(OP2(Cl)=NP(Cl)(Cl)=NP(Cl)(Cl)=N2)c([N+](=O)[O-])c1 104822897 VAHOXWSQJSJMGT-UHFFFAOYSA-N 495.307 7.928 50 40 JKGB FC(F)(F)C[C@@H](I)CC[C@@H](I)CC(F)(F)F 169795264 ITLCONSMLXROER-OLQVQODUSA-N 473.964 5.279 50 40 JKGB CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(C)C)cc3)o2)ccc1Cl 252495378 OPFTUBWNVLGOLA-CPNJWEJPSA-N 462.933 6.446 50 40 JKGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c1C 408567973 HHHPISIXVOKLRP-JFLMPSFJSA-N 479.671 5.719 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc(Cl)cc1Cl 408579654 JDDAZXSJZXXRIP-CXUHLZMHSA-N 493.615 8.052 50 40 JKGB Cc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Br)c2)cc1 408579962 MAGOJPQYOCCLNT-RGVLZGJSSA-N 495.804 6.801 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1OC 408583633 VXNCATAOVYVTPZ-YBFXNURJSA-N 468.322 6.249 50 40 JKGB O=C(N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccc(N2CCCC2)cc1 408677998 WUSNGJQWMGXDTK-NDZAJKAJSA-N 494.551 5.691 50 40 JKGB COc1ccc(/C=C(\C#N)c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1OC 408719020 FYERYQVLRTZJDM-WOJGMQOQSA-N 464.352 6.473 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)c1 408746112 QYBHSYXSPOOCBI-JAIQZWGSSA-N 481.379 6.825 50 40 JKGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc(C(C)(C)C)c1O 408762972 CVLSBNPCXPMMBK-UZWMFBFFSA-N 486.656 6.649 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408778169 PXRYUTIBJXXESR-ODLFYWEKSA-N 484.350 5.096 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1cccc(C)c1 408787620 CTPABHPOKPWYDO-YDZHTSKRSA-N 474.988 6.789 50 40 JKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Br)c1 408799582 ZUSBPOXWOHPAME-LPYMAVHISA-N 475.386 6.499 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(Cl)c1OCc1ccc(Cl)cc1 408808931 FYHOIJUIJNITSN-JHAUMMSCSA-N 473.400 6.183 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1cccc(Cl)c1 408814479 RLDXCYVUZJCHLK-RQZCQDPDSA-N 487.770 6.780 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccccc1 408821011 BIMIMFKVCOLWAC-UNOMPAQXSA-N 495.348 6.112 50 40 JKGB O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccccc2)cc1 408840756 DMJOKOJWJNCCDF-NSXIXCKWSA-N 489.531 5.322 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1Cc1cccc(F)c1 408867692 MFMSXFPGKQKCQX-SRZZPIQSSA-N 462.952 6.631 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cc(C)cc(C)c2)cc1 408896028 MNPXIQBTTSKJEO-LPYMAVHISA-N 475.386 6.499 50 40 JKGB CCOc1ccc2ccccc2c1/C=N/NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 408977456 DMOZICPELAIURU-RLBBTWETSA-N 465.553 5.250 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 409021352 CQNCQTOJAXUKSJ-KYHGBAKBSA-N 495.966 6.150 50 40 JKGB CCN(CC)c1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(OC)c1 409030096 CIRKMMAJMGVJHC-CEUNXORHSA-N 452.558 5.521 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1OCc1cccc(F)c1 409069532 LHHGBWFZNVBWPW-HYARGMPZSA-N 490.962 6.731 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1cccc(Cl)c1 409122610 AFQRELSCLXGXJE-HSZRJFAPSA-N 450.922 5.132 50 40 JKGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 409253862 CCMBBSMWRNGXGQ-OCSSWDANSA-N 458.005 6.333 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(F)c2)cc1OC 409320137 PGHPWPYQOAGUSG-MBTHVWNTSA-N 468.912 5.395 50 40 JKGB CCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1Br 409321789 JOQQGMGRTREYOG-YUMHPJSZSA-N 497.389 5.589 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccc2c(c1)OCO2 409365607 QWZHXEGGSORHRS-UUYOSTAYSA-N 484.349 6.974 50 40 JKGB O=C(CN1c2ccccc2Sc2ccccc21)N/N=C/c1cn(-c2ccccc2)nc1-c1ccco1 2180896 GVRITRIJYWHHMO-STBIYBPSSA-N 491.576 5.885 50 40 JKGB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccccc1OC(C)C 2670131 PYKQMBYMPCUVGQ-CPNJWEJPSA-N 495.000 6.578 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 2801181 RSJIIOOJDKSIHD-HZHRSRAPSA-N 475.979 7.350 50 40 JKGB N#C/C(=C\Nc1ccccc1I)c1nc(-c2cc3ccccc3oc2=O)cs1 8400479 GHDOYKASXMYWJT-SDNWHVSQSA-N 497.317 5.498 50 40 JKGB Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4n3C)c(Oc3ccc(Cl)cc3)nc12 8590259 YTWCYDFHTBQWPK-SAPNQHFASA-N 467.916 5.400 50 40 JKGB O=C(N/N=C(\c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc12 8951912 OFBDHROAXLMTRR-CCFHIKDMSA-N 472.504 5.992 50 40 JKGB C=CCN1C(=O)[C@@]2(C(C#N)=C(n3cccc3)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c2ccccc21 12363533 LENNGJYOERAFMJ-SSEXGKCCSA-N 490.538 5.317 50 40 JKGB Cc1c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1ccccc1C#N 15231351 AOCXWYCSDPTWID-IBBHUPRXSA-N 460.459 5.652 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(Br)c1O 15981641 PPWADESPIAHURW-ONNFQVAWSA-N 475.648 5.381 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2ccc(C(C)C)cc2)cc1 16309694 YEIUGXXATPRCMM-UHFFFAOYSA-N 497.705 6.022 50 40 JKGB CCOc1ccccc1OCC(=O)N/N=C/c1cc(/N=N/c2cccc(Br)c2)ccc1O 20100902 KHOOEIQJRAFALI-VEVCQMGESA-N 497.349 5.498 50 40 JKGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)[C@]1(C)CC[C@@H](c2nc3ccccc3[nH]2)C1(C)C 22747073 RSKPKTQRNONGQM-GFXOVHBVSA-N 489.023 5.771 50 40 JKGB COc1cc(/C=N/NC(=O)CSCc2ccccc2)cc(Br)c1OCc1ccccc1 28217633 YMNFJIUQIPVQPT-VULFUBBASA-N 499.430 5.420 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)cc1 33386451 GXXVWAQGCGDDDJ-ZMOGYAJESA-N 463.471 5.010 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(Cl)c1 33959733 UWUNARAZPOOPPU-RPPGKUMJSA-N 476.747 5.315 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c([N+](=O)[O-])cc1OCc1ccccc1 59432619 ARPIEQKYQZNKBH-CIAFOILYSA-N 457.486 5.345 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 59435246 AMCSGFUORNLQQH-MUFRIFMGSA-N 491.012 6.323 50 40 JKGB COc1ccc(/C=C\C(=N/NC(=O)N/N=C(\C=C/c2ccc(OC)cc2)C(C)C)C(C)C)cc1 104304562 XWIYUBIKBZDADU-BGTKVPBQSA-N 462.594 5.754 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Br)c1OCc1cccc(F)c1 107998035 QUWVJHLBJPSCCW-NVMNQCDNSA-N 492.348 6.425 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1nc2ccccc2o1 408555563 XZQZIDVUZUPZQQ-LFIBNONCSA-N 464.308 6.216 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1OC 408583890 YHTPZWNYFXAFSW-VXLYETTFSA-N 468.322 6.249 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)NNc3ccccc3OCc3ccc(Cl)cc3Cl)CC2=O)cc1C 408602358 DDPXBLNDHOXABV-LJQANCHMSA-N 498.410 5.685 50 40 JKGB CCOc1ccc(CC(=O)N/N=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 408711827 MLUGFAOWIJJEBJ-YUMHPJSZSA-N 497.389 5.128 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1)Nc1ccc(Cl)cc1 408766134 ZQQXOUGHUFQZMB-LQKURTRISA-N 457.917 5.275 50 40 JKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 408780204 VEEIYZJDTFELET-NDENLUEZSA-N 481.379 6.905 50 40 JKGB Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1 408805035 CMAXVOUGSDNNDL-CJLVFECKSA-N 452.941 6.926 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1cc(OC)ccc1OC 408813545 UPYOOBUWXRQENF-VRMLFSPKSA-N 486.568 5.466 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 408846249 PZQMJCQUPOTBST-BOPFTXTBSA-N 498.322 6.035 50 40 JKGB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccccc4O)cc3)sc2c1 408848249 VCENKIDRVGNOEC-LGJNPRDNSA-N 463.946 5.585 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cccc(C(=O)O)c1 408858401 SAMFVWANKJJLFE-JMIUGGIZSA-N 476.916 5.480 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1Cc1ccccc1Br 408869580 SGMJQHXMVZYFML-HYARGMPZSA-N 475.386 6.293 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2Br)cc1 408869601 QCLBLVKNOZVMDQ-DEDYPNTBSA-N 465.778 6.547 50 40 JKGB CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 408879096 FLJDEBDSTSMDHI-WUXMJOGZSA-N 484.575 5.809 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1cccc(Cl)c1 408887022 LIBPPRNODQUBBL-YBFXNURJSA-N 467.352 6.435 50 40 JKGB COc1ccc(C(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2OC)cc1 408900267 UNZBAMJJZZZWCJ-GZTJUZNOSA-N 497.334 5.775 50 40 JKGB CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)ccc1OCc1cccc(F)c1 408913914 VFOZHARRYCUTNY-UXHLAJHPSA-N 478.564 5.593 50 40 JKGB Cc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 408977800 FRJMPPXKHSWQGK-IEDNCLQISA-N 499.014 5.759 50 40 JKGB N#C/C(=C\c1ccc(SCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 408992302 RMHZTTJIBSBCCI-SFQUDFHCSA-N 455.499 5.266 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OS(=O)(=O)c1ccccc1 409081714 QHTYEKLIDDGNEI-CPNJWEJPSA-N 496.972 5.361 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(Br)ccc2Br)o1)C(=O)Nc1ccccc1 409113715 DTXZEMIEMFTEED-JLHYYAGUSA-N 472.136 6.017 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)ccc1OCc1cccc(Cl)c1 409118546 RDFRQHXTWIZACA-UPHQNKNSSA-N 483.033 6.257 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1ccccc1F 409391530 IKQQZUMEOOPMQE-NVMNQCDNSA-N 456.286 6.379 50 40 JKGB CO[C@@H](c1ccc(OCc2ccccc2)cc1)[C@H](Br)C(=O)c1ccc(Cl)cc1Cl 1572590 SQMFFXDPTHHVAD-GGAORHGYSA-N 494.212 6.906 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccccc2)cc(Br)c1OCc1ccccc1Cl 1950330 MYSNYWQFYWSBPL-VULFUBBASA-N 487.781 5.383 50 40 JKGB O=C(N/N=C/c1ccc(Br)cc1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 2285335 IZLXEBUCSOEFHO-DHRITJCHSA-N 478.173 5.142 50 40 JKGB CCOP(=S)(OCC)Oc1cc(C)nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 2383441 FMCWVFLGTJEKTN-UHFFFAOYSA-N 474.363 6.166 50 40 JKGB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1 4809290 BKVUZXTUYIVMKM-OVVQPSECSA-N 490.456 5.830 50 40 JKGB Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)ccc1Cl 8590247 PYPNNLRPHOOETD-DTQAZKPQSA-N 470.941 6.123 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1c(C)n(Cc2ccc(F)cc2)c2ccccc12 8812787 SZLZESAMLUSECR-CCVNUDIWSA-N 494.364 5.672 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(C(=O)O)cc1 9262408 GUERHFVRIFQDSL-RGVLZGJSSA-N 476.916 5.480 50 40 JKGB N#C/C(=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1[nH]nc(N)c1C#N 12042977 ONXUTFZOWPNKRK-PXLXIMEGSA-N 453.509 5.447 50 40 JKGB COc1ccc2ccccc2c1[C@@H]1CC(=O)N2CN(c3ccc(C)c(Cl)c3)CSC2=C1C#N 12251002 PCIWKFTZOJSSIP-HXUWFJFHSA-N 476.001 6.030 50 40 JKGB Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 13065790 TZSUYVSIVKYUOJ-JOCHJYFZSA-N 498.073 6.147 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)NC(SCCCC#N)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1 20348188 ABLFAOAYABABQW-OAQYLSRUSA-N 474.542 5.028 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OCC 33378516 NKMFALGLCSKJJF-MBTHVWNTSA-N 470.919 6.481 50 40 JKGB COc1cc(/C=C(\C#N)c2ccccc2F)cc(Br)c1OCc1ccccc1Cl 33563488 KYBLLOCPUNDNCH-LICLKQGHSA-N 472.741 6.893 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)cc1 59233029 HRAIIROMXMUDFH-RCCKNPSSSA-N 461.359 6.136 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 59250490 DKBZLXZHYHLUSQ-UVTDQMKNSA-N 473.779 6.701 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(Br)c1)c1ccc(Cl)cc1 59416275 RJJAZMPAMPKRCB-ZMOGYAJESA-N 456.727 5.119 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 59432649 YSYMCLMTFVFHDL-FYJGNVAPSA-N 491.385 6.199 50 40 JKGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 83301758 ZZACQQYGMVCHSL-ISAGNRBTSA-N 466.965 5.282 50 40 JKGB Cc1cccc(NC(=O)[C@@]23CC[C@](C(Br)Br)([C@@H]2Br)C3(C)C)n1 100868551 SQFGIESILRVDDD-IUIKQTSFSA-N 495.053 5.014 50 40 JKGB COc1ccc2c(c1)C1=C(SS/C1=C\c1c3ccccc3nc3ccccc13)C(C)(C)N2 101466079 QBENYSDZGVKTQV-IWIPYMOSSA-N 454.620 7.748 50 40 JKGB CCCCC[C@@H](C)Cn1c(SCC(=O)/C(C#N)=C(/C)N)nnc1-c1ccc(C(C)(C)C)cc1 103141179 GREZDXUNHIEVHM-HSDQKXRGSA-N 467.683 5.876 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1O 107723086 PLKHLYMQJONCIR-NTFVMDSBSA-N 473.529 5.134 50 40 JKGB Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1C)[C@H](C)CC(C)(C)N2C(C)C 223606689 IZZSHQHFZAUUFJ-WVGJEZMVSA-N 450.026 7.003 50 40 JKGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 408614827 INZPKWXDXPSZNC-MZJWZYIUSA-N 486.355 5.060 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 408754173 ITEVXZSTGSXOFD-SSDVNMTOSA-N 478.140 5.244 50 40 JKGB CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Br 408764774 JXIBDMHQAZBDRK-UKTHLTGXSA-N 450.130 5.156 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Br)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 408881303 IUQHSYZUZXFJJJ-CPNJWEJPSA-N 462.303 5.494 50 40 JKGB COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OC(C)C 408903963 BTQIDLNPOMXRDS-YVNNLAQVSA-N 454.752 5.362 50 40 JKGB CC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 409016197 UZCKOJCJPAANBN-QPSGOUHRSA-N 494.998 5.567 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OCC)c1O 409032473 JQDVRZDLUDKVTF-MIXAMLLLSA-N 451.526 5.499 50 40 JKGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 409044121 AYCGMQBRXSJQAM-QGOAFFKASA-N 465.431 5.269 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(OCC)c1OCc1ccccc1C#N 409050926 DLZJAHKGVCFVRW-KBVAKVRCSA-N 487.987 5.990 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 409056674 NFGXBIQCYVJCCD-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 409111500 ATZNGZIVNAUHPK-UUYOSTAYSA-N 456.867 5.072 50 40 JKGB Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cccc3ccccc23)cc1 409225669 NMDIQZNFRGWFBY-YUMHPJSZSA-N 453.454 5.040 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 409226103 STTLIMRESRCPBX-LDADJPATSA-N 480.351 5.865 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1Cl)C(=O)NCc1ccccc1 409260533 RQMHYHSBJCXUCZ-XDHOZWIPSA-N 480.351 5.234 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)cc1C 409265803 PHBQVJPBFPDUSE-ODLFYWEKSA-N 494.378 6.173 50 40 JKGB N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc(I)cc1 409368369 ZXEQQBINXSGXRV-HAHDFKILSA-N 487.340 7.088 50 40 JKGB O=C(NNC1=C(C(=O)C(F)(F)F)CCCCCCCCCC1)c1cccc(Br)c1 1084314718 IZPRFLYWCWRDRQ-UHFFFAOYSA-N 475.349 5.984 50 40 JKGB COC(=O)c1ccc(C(=O)OC)c(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c1 1810530 QCWARMWSLDGBNH-RVDMUPIBSA-N 498.358 5.122 50 40 JKGB N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 2553436 TWTOMMVXUJUADX-WOJGMQOQSA-N 464.377 6.740 50 40 JKGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CCCC2 2669786 JJTVNYFZMDKJDW-NTCAYCPXSA-N 477.498 5.127 50 40 JKGB CCSC1=C(C#N)[C@@H](c2ccccc2Cl)C[C@](OC(=O)c2ccccc2)(c2ccccc2)N1 3670789 XBYQFJIHSGJTNX-AMGIVPHBSA-N 475.013 6.615 50 40 JKGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 10212896 RDAXGIRAUQZYHU-LICLKQGHSA-N 469.397 5.554 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccccc1O 12585390 ZLXYMPZHUNRETN-IWIPYMOSSA-N 480.640 5.322 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1 20197578 PEALVSDOEZKANN-STBIYBPSSA-N 459.977 6.204 50 40 JKGB O=C(CCCCC(=O)N/N=C/c1ccc(Cl)cc1Cl)N/N=C\c1ccc(Cl)cc1Cl 31629098 RCIRGEVFVFPDPP-UIXGLJBASA-N 488.202 5.461 50 40 JKGB COc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1Cl 33663053 LTGXBFLVXQGJIA-MBTHVWNTSA-N 477.948 5.692 50 40 JKGB C#CCOc1c(I)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OC 33795133 YNUIHLCQSPGNGU-JAIQZWGSSA-N 465.290 5.529 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 408530114 LEEPQXGPRGEARX-IURWMYGYSA-N 484.909 5.924 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccc(Cl)c(Cl)c1 408549114 PHVOVFBRXCPSGK-FMCGGJTJSA-N 460.360 7.798 50 40 JKGB Cc1c(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 408599761 ZIXVXSLIFMZXKS-QGOAFFKASA-N 489.431 7.838 50 40 JKGB Cc1c(Cl)cccc1N1C[C@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O 408652129 OLXZASFKSKBIGS-DNVCBOLYSA-N 468.764 5.078 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)NCc1ccccc1 408747539 PJDBWTUVQZSQJJ-QRVIBDJDSA-N 487.386 6.949 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1C 408796800 ZEOSMNNNXBZVQD-DJKKODMXSA-N 496.350 6.643 50 40 JKGB C[C@@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1 408802103 CZXWTIMJVZJVOZ-ISPGYRLHSA-N 459.933 5.142 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1 408846202 IUBIKYWMMBHHFW-WGARJPEWSA-N 480.362 5.765 50 40 JKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2Br)c1 408884663 VGNJHMJWTFSQSY-ZMOGYAJESA-N 473.414 6.819 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1 408891064 KSASPNBRUYVUMA-LUOAPIJWSA-N 498.193 6.652 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3cccc(C)c3)c(OC)c2)c(C)c1 408906195 IDWFQJBLAMJHOU-RDRPBHBLSA-N 460.574 5.373 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 408949113 RYXNGFXWYUSUKT-COEJQBHMSA-N 489.535 5.916 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(F)cc1 409066859 MSWHVNBHBZDBPG-RQZCQDPDSA-N 485.298 5.955 50 40 JKGB CCOc1cc(C=C(C#N)C#N)cc(I)c1OCc1ccc2ccccc2c1 409083533 SRZFZVWANFHHEF-UHFFFAOYSA-N 480.305 5.853 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1Cl 409132857 KHECONSTYAARMO-DEOSSOPVSA-N 498.410 5.701 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OC)c1OCc1ccccc1 409188402 YYFQIWHZMLQHRQ-YKQZZPSBSA-N 484.552 5.912 50 40 JKGB COc1ccc(Oc2ccc(-n3c(C)cc(/C=N/NC(=O)[C@@H](C#N)c4ccccc4)c3C)cc2)cc1 409195619 JPXCEHHVPDZNAI-NGUGDGFLSA-N 478.552 5.653 50 40 JKGB COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)cc2)ccc1OCc1ccccc1 409322951 YUSGQQUCIKDYKE-MNBJERMJSA-N 484.527 5.756 50 40 JKGB CCCCOC(=O)c1ccc(NC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)cc1 1801206 RHSUCNZCXOOCQP-ROUUACIJSA-N 483.200 5.482 50 40 JKGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 2553592 FGNLYUOWEUPMFN-VXLYETTFSA-N 455.505 6.422 50 40 JKGB Cc1cc(OCCCC(=O)N/N=C/c2ccc(OC(F)F)cc2OC(F)F)ccc1Cl 3249612 VXKYCIAMPYXAHD-KBKYJPHKSA-N 462.827 5.161 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cn(-c2ccccc2)nc1C12CC3CC(CC(C3)C1)C2 8721074 FBPIFZVLONKYQF-WNBMHSCPSA-N 494.639 5.791 50 40 JKGB CCn1c(SCC(=O)N/N=C(/C)c2ccc3ccccc3c2)nnc1-c1ccc(C(C)(C)C)cc1 9046321 QWTDEHZDTTVCTK-CEUNXORHSA-N 485.657 6.048 50 40 JKGB N#C/C(=C\Nc1ccc(I)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 9353291 LUGDOSBHHRVCLS-FMIVXFBMSA-N 498.176 6.698 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)cc1OC 9762482 YIZNRTLCAQNUDP-OPEKNORGSA-N 467.736 5.617 50 40 JKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 10059279 SOAINQLOBGOMCM-SQAVSUBZSA-N 455.898 5.551 50 40 JKGB C/C(=N\c1cc2c(cc1[N+](=O)[O-])OCO2)SS/C(C)=N/c1cc2c(cc1[N+](=O)[O-])OCO2 12437041 RKIZAAKZDWSTNG-LQGKIZFRSA-N 478.464 5.142 50 40 JKGB N#CC(C#N)=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2ccc(-c3nc4ccccc4o3)cc2)C1=O 13573446 PWMSOUPIOFJQEE-QHCPKHFHSA-N 491.532 5.231 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)c1C 16666313 YSMPWSBYHXXMKD-OGCOBRASSA-N 453.567 5.368 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 20197348 AKRBIQSOXRHYDG-RWPZCVJISA-N 487.383 6.134 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccccc1Cl 33397202 DTIQPNSWEDSJPM-ODLFYWEKSA-N 462.889 5.171 50 40 JKGB CC[C@@H](C)Oc1c(I)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OC 35331987 BXQNKWWUSNVFFM-KHAFMBKQSA-N 478.286 5.449 50 40 JKGB CCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 40476971 GPWSJWCSJFUBGQ-GHRIWEEISA-N 468.376 6.116 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)ccc1OCc1cccc(F)c1 137154947 UMQCUOAZSHFHGX-FYJGNVAPSA-N 460.505 5.666 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1c(C)cc(C)cc1C 408734895 LGHOJEXUPJEDQG-CIAFOILYSA-N 460.961 6.399 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 408806180 ASPVJWBCMRULCA-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3OC)c2C)cc1 408808040 DKYIAJFACYIJJT-PXLXIMEGSA-N 457.530 5.134 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(Br)cc1 408956068 VVOPSRORORTXEX-KGENOOAVSA-N 487.401 5.604 50 40 JKGB Cc1cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Cl)cc1 408977802 FRJMPPXKHSWQGK-IFSBUVSJSA-N 499.014 5.759 50 40 JKGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1cc2cc([N+](=O)[O-])ccc2o1 409018929 ZALVWYZEAJKTHZ-SSDVNMTOSA-N 457.920 5.971 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 409066506 AXZQJMVEPNHKKU-LFIBNONCSA-N 473.337 5.307 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccc(Cl)cc1 409229958 AGGPBHBCNPPATG-ULJHMMPZSA-N 474.988 5.974 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)c1 409251105 OJZZXGBLEMDXLW-XKZIYDEJSA-N 487.987 6.137 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(F)c2)ccc1OC 409309665 KRMFXQAXYRODQG-VYYCAZPPSA-N 456.901 5.229 50 40 JKGB COC(=O)c1cccc(-c2ccc(/C=C(/C#N)c3ccc(I)cc3)o2)c1 409368305 RTVROZAQNLWGGA-ATVHPVEESA-N 455.251 5.402 50 40 JKGB CC(C)(C)C1=CC(=C(C#N)C#N)C=C(C=Cc2cc3c4c(c2)C(C)(C)CCN4CCC3(C)C)O1 1857791614 HXWWMGJBPGRWRS-UHFFFAOYSA-N 453.630 7.057 50 40 JKGB COc1ccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 1889316 ZPLXGHZFQHODMK-ZMOGYAJESA-N 480.640 5.235 50 40 JKGB CCOc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(OCC)c1 2162136 VYEBBQUIGYMRMZ-UVHMKAGCSA-N 492.523 5.396 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)cc1 2244874 LHRXWQXVMZGXCN-LVZFUZTISA-N 478.552 5.638 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c(OC)c1OC 2762034 AFNXYJSHKHJMJC-LGJNPRDNSA-N 481.961 5.406 50 40 JKGB O=C(N/N=C/c1sc(Nc2ccccc2)nc1Cl)c1cc(-c2ccccc2)nn1-c1ccccc1 3416085 VSOJHBUBYOWHIN-OGLMXYFKSA-N 498.999 6.157 50 40 JKGB O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 12285281 GHQCMVUTXJLAJZ-AFUMVMLFSA-N 478.302 5.463 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)s1 16492342 KPPFWCPHHADQJL-LJQANCHMSA-N 465.365 6.330 50 40 JKGB CCSC1=C(C#N)[C@H](c2ccccc2Cl)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 19866743 HFKBYHDNFZKCMU-TXPKVOOTSA-N 472.941 5.327 50 40 JKGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c1C 58913279 VUQXUACOEOKBMV-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12 59232896 ZZNWORAEKVYVDN-CPNJWEJPSA-N 460.364 6.851 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1 59245227 IOFBBRXIPDOMJR-LDADJPATSA-N 481.321 5.721 50 40 JKGB CC(C)C[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N=C2CCCC(O)=C21 102037076 QMRXQSNTMWYCCD-MRXNPFEDSA-N 474.424 5.969 50 40 JKGB Cc1c(O)c(CN(C[C@H](C)Cl)C[C@H](C)Cl)cc(CN(C[C@@H](C)Cl)C[C@@H](C)Cl)c1O 104051048 CRTRJJFNURFWEE-RUPPMWDTSA-N 488.327 5.519 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1ccc2ccccc2c1 408549492 ULOKFKWRRYHULV-WGARJPEWSA-N 480.394 8.943 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1cccnc1 408723663 ZFPYYGKYUYGFEB-MZJWZYIUSA-N 460.331 5.340 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)cc2)cc1 408752571 BTJPVPJTTKEOFG-JXAWBTAJSA-N 477.314 5.223 50 40 JKGB CCCOc1c(Br)cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OCC 408783931 PHSBTFHMFJABBZ-ROTLSHHCSA-N 473.289 5.419 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1 408784202 UNHRXWPOHRJLNH-NKFKGCMQSA-N 457.961 5.175 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 408788618 DWWJHPBTVXBECO-GZTJUZNOSA-N 464.327 6.681 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 408794421 JCDHLOGYNHDCRG-YBFXNURJSA-N 465.322 6.021 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)cc1C 408805420 AWOQJKVKTYDKRH-UDWIEESQSA-N 451.353 6.735 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1 408814942 ZVWFQJAPBOIXBO-MNOULKQQSA-N 491.385 5.821 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2)c(Br)cc1OCc1ccc(F)cc1 408845454 FMHIJMKOPPAUIR-VULFUBBASA-N 471.326 5.330 50 40 JKGB Cc1cc(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)ccc1Br 408857744 PPZNSTFCUWKJNE-MXAYSNPKSA-N 450.336 5.675 50 40 JKGB N#C/C(=C\c1ccccc1Cc1ccccc1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1 408866325 GTINXLGLTUJPBM-LGUFXXKBSA-N 478.979 7.055 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccccc1F 408868193 MUUWYWFDVPTYEM-WOJGMQOQSA-N 469.741 6.378 50 40 JKGB N#Cc1ccccc1COc1ccc2ccccc2c1/C=N\NC(=O)COc1cccc2cccnc12 409018477 VZVQDTVQVJSQTA-OHUYPAJKSA-N 486.531 5.368 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 409253679 GHXFVSRUXCIUKW-LICLKQGHSA-N 468.296 5.983 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1C 409257336 SCYXVFCAKVUUCV-XKZIYDEJSA-N 487.987 6.137 50 40 JKGB COc1ccc(C(=O)N/N=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1OC 409326387 JZHVCEWUWGROAC-WKIKZPBSSA-N 489.406 5.187 50 40 JKGB Cc1ccccc1Cn1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c2ccccc21 409350362 RSUOENBTEZXKIX-CCVNUDIWSA-N 475.390 5.323 50 40 JKGB COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1 409376203 VXLHSZIGHNMRRK-UYRXBGFRSA-N 475.932 5.220 50 40 JKGB O=C(CNc1ccccc1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 409385324 HPTJDVKPXMHKHP-XODNFHPESA-N 451.357 5.559 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 409392405 MDYMLNUSBAQNEB-QRVIBDJDSA-N 458.489 6.504 50 40 JKGB N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1453289 CEBXPDWWNMZUKQ-LCYFTJDESA-N 461.783 6.073 50 40 JKGB Cc1cccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c1 1768981 NMYGTJDDKZZHBY-ZMOGYAJESA-N 464.641 5.534 50 40 JKGB CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 1895796 BIHRYLRVZNKCRU-OGLMXYFKSA-N 485.613 5.192 50 40 JKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 1906131 IASICLHHOCMFAK-RCCKNPSSSA-N 463.578 6.378 50 40 JKGB O=C(N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)c1cncc(Br)c1 2352479 IPCYAKFDBFHUDV-LIMNOBDPSA-N 473.541 5.828 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3284338 MMDPIQBOTSOOAX-MTDXEUNCSA-N 489.984 5.572 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1Cl 4196276 PXERWXFXKDELIR-VCHYOVAHSA-N 489.196 7.408 50 40 JKGB CC(C)(C)c1cc(CCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc(C(C)(C)C)c1O 6075303 GYLHGFDQYDRKLT-UHFFFAOYSA-N 465.421 5.688 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccc(C)cc1 8812436 OXXARNSLNMJBFN-MZJWZYIUSA-N 485.353 5.638 50 40 JKGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 8842920 XWFSIXNQOPETRW-BRJLIKDPSA-N 451.242 5.421 50 40 JKGB CCC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccc(OC(F)F)cc2)c(C(C)(C)CC)c1 12562151 VQZYRAMQOCSXGM-ZCTHSVRISA-N 488.619 6.973 50 40 JKGB Cc1ccc2c(CC(=O)OCC(=O)N(/N=C/c3ccccc3)c3cccc(C(F)(F)F)c3)coc2c1 13098403 DTHWWFQGBGAVAN-IBBHUPRXSA-N 494.469 5.913 50 40 JKGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 15945825 RTGWVUVYBMCDGS-LQKURTRISA-N 473.916 5.673 50 40 JKGB Cc1c(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c(Cl)nn1-c1ccccc1 16192923 MOAPLDRQYYNHGJ-RWPZCVJISA-N 473.001 5.787 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2cc(C)ccc2C)cc1 16309468 OLQBQUNEWSSVGT-RDRPBHBLSA-N 485.609 5.111 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)c1ccc([N+](=O)[O-])cc1 16319706 XFZLDIOPJDMEHX-OCKHKDLRSA-N 494.732 6.526 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2C)sc(C)c1C 16683007 AVLJEIHZXNSJDF-UNOMPAQXSA-N 465.550 5.634 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)c(C)c1 20194801 RAMFKNWHHJIWOV-AFUMVMLFSA-N 485.369 5.008 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl 30930091 UFBBZABGTGBSAT-ZDLGFXPLSA-N 499.748 6.662 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 33601726 KAOPXPUZEUZAQP-VYYCAZPPSA-N 485.899 5.058 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 59447330 TZRFWVMSDPSTRX-MUFRIFMGSA-N 474.944 5.610 50 40 JKGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccc(CSc2ccccc2)cc1 59473612 WYEDDZKZHJXSEN-WYMPLXKRSA-N 469.360 5.234 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1cccc2ccccc12 59534311 LWHYOCYZHSPXRQ-HZHRSRAPSA-N 468.578 6.102 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(Br)cc1 59534389 HJZNOYZVXQQYMB-XDHOZWIPSA-N 497.414 5.712 50 40 JKGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\c2cc(O)c(Br)cc2Br)cc1 67197117 RYVSCTBGGZBZPE-RJBIFPRSSA-N 494.227 5.469 50 40 JKGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(O)c(OC)c2)C2=C(O)CCCC2=N1 102716781 XHGRSUJZNAODJS-RUZDIDTESA-N 489.597 5.604 50 40 JKGB Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)C3=C(O)CCCC3=N2)c1 104107800 CPWFIJWNJDDGLW-RUZDIDTESA-N 457.599 6.253 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccccc2O)cc(Br)c1OCc1ccc(Cl)cc1 208891853 QYRJVZIDJGHLIK-ROTLSHHCSA-N 489.753 5.160 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408541880 IIDPQZRGCDGMGH-WJDWOHSUSA-N 459.889 5.488 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccccc1 408543211 NQJVKEMINNJBQF-JAIQZWGSSA-N 464.315 5.799 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 408568972 XSBRNMUJJMYKIA-JFLMPSFJSA-N 481.390 5.346 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1Cl 408579617 IRLQCMCBSIFSOX-VCHYOVAHSA-N 489.196 7.408 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Br)c1 408797836 UBSHDJLJEANKTR-YBFXNURJSA-N 481.777 6.536 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccccc1 408810485 KTBBLYPHTNRUTP-VYVDHXHBSA-N 451.353 6.357 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc2ccccc2c1 408811759 LWPSXMUJOIHHAX-UCQKPKSFSA-N 452.485 6.112 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Cl 408844909 PROVUMJJXLOSNW-MZJWZYIUSA-N 476.989 6.288 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc4ccccc34)c2C)c(OC)c1 408870898 WBEZPHRKJBJINA-BUVRLJJBSA-N 465.553 5.488 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408887539 RKPWJFXIFJSFOR-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc2ccccc12 408890791 ZIQDNGRBOBQORO-RWPZCVJISA-N 489.915 5.753 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc3ccccc3c2)c1OCc1ccc(Br)cc1 408921417 AUBVMOHLXAPVOD-LQKURTRISA-N 489.369 5.954 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1-c1ccc(Cl)cc1 408936861 IQNWLYITNDREFD-OPEKNORGSA-N 463.752 5.143 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2n1Cc1ccccc1Cl 408947921 DPSDVPTZHSMUGS-KQWNVCNZSA-N 493.010 6.399 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1cc2cc(Cl)ccc2o1 409022491 QHDGIZYBOOEMCI-PPDIBHTLSA-N 473.743 6.736 50 40 JKGB O=C(COc1cccc2ccccc12)N/N=C\c1ccc(Sc2ccc(Cl)cc2)s1 409022888 HOUNKKSNJDQBSY-QFEZKATASA-N 452.988 6.235 50 40 JKGB Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 409039142 BQKALCOKBMQTKU-GIJQJNRQSA-N 482.323 6.335 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1cccc(C)c1 409054489 GOJNEOXRRMQVKP-PXLXIMEGSA-N 469.541 5.265 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12 409065944 VHGXRNMMHPHCKG-FOWTUZBSSA-N 474.879 5.769 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccc([N+](=O)[O-])cc1 409216054 DOPGFMSIVCUPFT-HMAPJEAMSA-N 485.337 7.154 50 40 JKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)c(Br)c1 409236097 QZSVMIZHPAEMST-GXDHUFHOSA-N 475.264 6.582 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccccc1 409236523 RTBNVBUPMOKUPW-UEIJICEPSA-N 458.430 5.080 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)NCCCc1ccccc1 409248604 LMLKHABXSOUQPR-JCMHNJIXSA-N 465.380 6.228 50 40 JKGB CCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OC 409302404 INXQGLLOTDVIPH-RHANQZHGSA-N 496.991 5.879 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc(F)c1 409392851 NZENNORQSMQVQQ-IUXPMGMMSA-N 477.160 7.538 50 40 JKGB CCOc1ccc2ccccc2c1/C=N/NC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O 1783969 UPDSGJKEYUFFDP-FJEPWZHXSA-N 496.592 5.136 50 40 JKGB CC(C)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)c(Cl)c3)=C2C#N)cc1 2312202 YIZJWYANORJJKB-KRWDZBQOSA-N 474.413 5.827 50 40 JKGB COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 3220373 HRZDXWSVVYMWLE-FYJGNVAPSA-N 490.943 5.568 50 40 JKGB O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccncc1 8914637 UKKABDDUEVQKQH-GTWSWNCMSA-N 487.519 5.878 50 40 JKGB COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)c1 9076046 SZUQNAGEQMIPCD-JVWAILMASA-N 493.633 5.018 50 40 JKGB O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc(Cl)c1 9263144 GPHDCCNKVBZQPX-LSHDLFTRSA-N 470.175 6.264 50 40 JKGB CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1 13715276 MAQJTAMKRJCTSJ-PYCFMQQDSA-N 492.673 8.105 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1cc2cc([N+](=O)[O-])ccc2o1 15945148 MPOATDMKGHMDJW-LQKURTRISA-N 465.465 5.837 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)c1nc(O)c2ccccc2n1 16741883 CXWQLHAMZVWTTQ-SFQUDFHCSA-N 456.889 5.070 50 40 JKGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@@H](C)O3)cc1 19927884 DPOWYYLKEVAQAM-RHKYMZEHSA-N 481.577 5.510 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)c(C)c1 35212435 TXZRHLISJCCKHF-FSGOGVSDSA-N 451.570 5.097 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc(F)c1 59282132 PJDGOCIKOGIRAG-VCHYOVAHSA-N 455.316 6.566 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3cccc4ccccc34)c2C)cc1 59427414 DIZJMYSVXBVADG-RDRPBHBLSA-N 453.542 5.117 50 40 JKGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 59435250 CKHKZCNOMBIJJF-LQKURTRISA-N 466.566 5.538 50 40 JKGB COc1cc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc(C)c1 103592581 ONYLQSRBCMDOEG-IZZDOVSWSA-N 498.329 5.872 50 40 JKGB C#CCn1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21 107579328 CRVMCWKDMAIHHS-MNBJERMJSA-N 490.563 5.618 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c1 408566517 AHLINWDUSJIPCB-ZDLGFXPLSA-N 462.322 6.416 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)c2C)cc1C 408568486 JRJIAZXFSWLBQC-JFLMPSFJSA-N 479.671 5.719 50 40 JKGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1 408726743 TXFVOWDFVDNZIX-MTDXEUNCSA-N 461.481 5.365 50 40 JKGB COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccc(C)cc2)n1 408727181 VBITWUKAEGAUMH-RUMWWMSVSA-N 486.575 6.287 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 408735766 XEIHHQRMUPPRDV-RCCKNPSSSA-N 497.938 6.835 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccccc1C#N 408742974 DBTICKIHTHWWTO-NHDPSOOVSA-N 457.917 5.653 50 40 JKGB CC1=CC(/C=C(/C#N)C(=O)Nc2cccc(C)c2)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1 408743046 DFNVSLURIXSFOD-OINPTKSXSA-N 460.577 7.023 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)cc1 408746005 QDZAKDWPMGBCOO-HKWRFOASSA-N 455.945 6.206 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1cccc(F)c1 408790587 XCJWDJKJBNVCGW-YBFXNURJSA-N 495.348 6.112 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)c1ccccc1 408798461 FJGDBYOKAAWZRG-ZMPUUUETSA-N 486.369 5.684 50 40 JKGB CCN(CC)c1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 408808007 CSECSIDTHOQZHM-FMCGGJTJSA-N 493.199 5.568 50 40 JKGB Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(I)cc3)c2)cc1 408889822 JNBBIELPFZECKE-DEDYPNTBSA-N 494.332 5.724 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408892818 CPNSIIFROJHDBM-KPKJPENVSA-N 462.676 6.361 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc2ccccc2c1 408964898 TVDPNVBJLZHRJX-VTNSRFBWSA-N 492.497 6.600 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCc1ccccc1 409016760 IMAGMBAZNGYOPB-WKIKZPBSSA-N 469.324 6.091 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)OCO3 409094347 DFUSBRQZTJYTOP-QFIPXVFZSA-N 485.298 5.658 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(Cl)cc1Cl 409204638 CDNLXYWRDBQKSZ-VCHYOVAHSA-N 487.408 6.256 50 40 JKGB O=C(/C=C/c1ccc(Cl)cc1)Oc1c(/C=N\NC(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 409224425 KAQFXCHHLAXQGT-IDQCTPKCSA-N 484.295 5.284 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 409233883 UKWVFCZYRCVYJO-WKIKZPBSSA-N 461.320 5.413 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 409264112 JWUZUAQAHIAZDB-BOPFTXTBSA-N 496.350 5.565 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409264447 FSZOCIRQFTYDGG-HYARGMPZSA-N 471.513 5.692 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c2)c1 409268074 ZCDRMIIMSZJPPY-NDENLUEZSA-N 459.933 5.520 50 40 JKGB CCOc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)c2cccc3ccccc23)cc1OC 409310755 BRHWSLUPTDEJOO-QJOMJCCJSA-N 478.548 6.329 50 40 JKGB CCc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 409365632 VEJROKDTOIOAAQ-NTFVMDSBSA-N 476.374 5.155 50 40 JKGB COc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)cc1 409395111 KAGVQTVOXNCAKF-UHFFFAOYSA-N 489.531 5.827 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1OCc1ccc(Br)cc1 669270 AURXZUKILORGHF-JOCHJYFZSA-N 479.374 5.479 50 40 JKGB COC(=O)c1ccc(C(=O)OC)c(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c1 1297130 GILGUWBBLQEFKY-XSFVSMFZSA-N 475.570 5.558 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(Cl)cc1 1438739 LRGZDVZRQLEOKY-YBFXNURJSA-N 462.889 5.171 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1OC 1905867 PXOYGLZWPLKVFX-WOJGMQOQSA-N 467.978 5.730 50 40 JKGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)c1 2250904 RTYSMDRYWVJSSJ-NDZAJKAJSA-N 451.570 5.097 50 40 JKGB O=C(NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)Nc1cccc(C(F)(F)F)c1 3226644 SKSMNPXYSKFKQP-UHFFFAOYSA-N 484.865 6.041 50 40 JKGB N#CC(C(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)=C1Nc2ccccc2N1 3334817 RJVDSNBHNCPCFX-UHFFFAOYSA-N 498.999 5.581 50 40 JKGB N#C/C(=C\c1ccc(Br)cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 8951215 REQRUECPWPXPKD-GZTJUZNOSA-N 485.362 6.896 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)c([N+](=O)[O-])c1 9434645 MWBRUYIQRKMYOB-XQNSMLJCSA-N 486.531 6.605 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1c(OCc2ccccc2C#N)ccc2ccccc12 9906055 FRQDOHQJHRWZAJ-UCQKPKSFSA-N 477.951 6.798 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 22567471 YSBLGLRAAKEVPA-IBGZPJMESA-N 459.849 5.116 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC 23163099 BMIXDLVJFSGRFJ-XNTDXEJSSA-N 461.743 5.612 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1ccccc1 28218010 BIQYAFOESPLFQB-DHRITJCHSA-N 473.754 5.454 50 40 JKGB O=C(CCCC(=O)N/N=C/c1ccc(Cl)cc1Cl)N/N=C\c1ccc(Cl)cc1Cl 31670057 DMLPHPLQJKSBAU-KDWDADFLSA-N 474.175 5.071 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1 32519894 CXNQUEUATGGTNA-LGJNPRDNSA-N 480.977 5.046 50 40 JKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 58871484 XBLMPNNDVIOSSI-JVWAILMASA-N 465.391 6.090 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1cccc(F)c1 59254914 KETQWIUVNFRBIT-DEDYPNTBSA-N 479.349 6.275 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 59432650 FLBDOGBTUKDDDQ-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB O=C(N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21)c1cc(-c2ccc(F)cc2)nc2ccccc12 89827835 BUVVSCXNHCHUAD-OBCJTXQHSA-N 487.534 6.699 50 40 JKGB Oc1ccc2ccccc2c1-c1c(O)c(P(c2ccccc2)c2ccccc2)cc2ccccc12 205112620 ACADDTNUMXUNHG-UHFFFAOYSA-N 470.508 6.829 50 40 JKGB Cc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1 209405693 KIWRERQGGQCOHL-VXLYETTFSA-N 473.197 7.708 50 40 JKGB Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cccc(Br)c1)[C@@H](C)CC(C)(C)N2C(C)C 223605782 WYFSKWUFTCEWDT-ISRVBRPNSA-N 480.450 6.804 50 40 JKGB Cc1ccc2c(c1Cl)N[C@H](C(=O)O)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21 254029420 YCLFNFMIGLHWRQ-VQDCZSNMSA-N 453.347 5.307 50 40 JKGB CCCCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C 408538378 LWFNLIPGTYPJSR-ZHZULCJRSA-N 455.396 6.571 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c(C#N)c1C 408547491 XXUNAJMAWXOLIG-NTEUORMPSA-N 499.375 6.390 50 40 JKGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 408612038 UAXIKWJPBMAQSF-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB CCOC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 408725080 GVYZMHQOMGILIQ-CHHVJCJISA-N 499.188 6.204 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c(Cl)c1 408742050 UOQMWOREJWPPOY-UVHMKAGCSA-N 497.338 6.333 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)c(Cl)c1 408742382 WIJYPNGINSSORE-OCSSWDANSA-N 451.957 6.818 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1F 408791284 VQOJWGXWFLWDKA-VCHYOVAHSA-N 495.894 5.911 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1Cl 408791979 GAQGRZBTBJCNMW-VXLYETTFSA-N 481.335 6.125 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 408824253 HOJDKDMKRLWDTJ-XIEYBQDHSA-N 494.978 7.044 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccnc2)c(Br)cc1OCc1ccc(Cl)cc1 408856629 JMAUDVQBLABRNN-LGJNPRDNSA-N 488.769 5.239 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1Cc1ccccc1Cl 408869589 SNDUDPIDDKHNFC-VCHYOVAHSA-N 485.798 7.100 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccccc2-n2cccc2)c1OCc1ccccc1Cl 408883722 WGEXJMGMIKZTLT-OGLMXYFKSA-N 459.933 5.482 50 40 JKGB COc1ccc(C(=O)N/N=C/c2ccc(OC)c(OCc3c(Cl)cccc3Cl)c2)cc1 408894900 KZZBEIXMUFVCFK-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1OC(=O)c1cccc2ccccc12 408897080 VHGUFAOFOUYLQO-HMMYKYKNSA-N 492.487 5.311 50 40 JKGB Cc1ccccc1COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 408900572 WETXTVMAROQKOE-VCHYOVAHSA-N 482.323 6.335 50 40 JKGB CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1 409049029 VPLBDFHICZULSY-MDWZMJQESA-N 480.156 5.165 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1)C(=O)Nc1ccc(O)cc1 409054438 GCCCZFUISXCNQD-CXUHLZMHSA-N 473.743 6.477 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(O)cc1 409072332 NBESZKALUVFLOA-XNTDXEJSSA-N 489.336 5.012 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2ccccc2F)c(Cl)c1)OCO3 409090589 RMDIYPMEHDSESN-QHCPKHFHSA-N 450.853 5.005 50 40 JKGB CN1C(N)=C(C#N)[C@@H](c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C2=C1CCCC2=O 409144027 NUQLRXJZQIPUPA-OAQYLSRUSA-N 472.347 5.441 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1cccc(Cl)c1Cl 409197692 MFDNGSPORHHLTG-VCHYOVAHSA-N 468.340 5.353 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Br 409211801 KEBZYWGJSYARGT-AUWJEWJLSA-N 465.687 5.017 50 40 JKGB O=C(N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1ccc(Br)cc1 409215238 VWTGZUSWXOVDRA-MWLSYYOVSA-N 482.381 6.369 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2Cl)cc1 409257644 TVJSYUJXVIDKPQ-PDGQHHTCSA-N 480.351 5.865 50 40 JKGB Cc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c2C)c1 409271489 LMKPZPMUXBRZFF-OGLMXYFKSA-N 452.514 5.742 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1cccc(F)c1 409394350 ZGJWLGHTSFRAKX-FMCGGJTJSA-N 458.330 7.385 50 40 JKGB CC(C)(C)[S@@](=O)N[C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1-c1ccccc1 1857795206 UYIINIAAJWPMRE-ANHUGMMASA-N 485.633 6.579 50 40 JKGB Cc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2c(C)cccc2C)N=C2CCCC(O)=C21 2310947 LFPYKGOOESNUCL-XMMPIXPASA-N 457.599 6.253 50 40 JKGB N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 2423858 CQAFRFACGSHYDG-WTALZMIHSA-N 495.938 5.683 50 40 JKGB Cc1ccccc1NC(=O)CSC1=C(C#N)C(=O)N[C@@H](c2ccc(Cl)cc2)N1c1ccccc1 2670606 NXGIABYQBWOPEY-XMMPIXPASA-N 489.000 5.391 50 40 JKGB CCc1ccc(-n2c(C)cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1 4047955 ICJZWUZOAWQWAS-TWKHWXDSSA-N 451.570 5.043 50 40 JKGB COc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1 8934542 CQLPUYLNSVKHFI-MHZLTWQESA-N 495.604 5.646 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 8958812 MWQLTYXHODJZSB-HMMYKYKNSA-N 493.475 5.521 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 9310790 FAUBUSRBLYACHH-XSFVSMFZSA-N 495.364 5.807 50 40 JKGB N#C/C(C(=O)Nc1ccccc1)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 9909855 VIAFLZVBDBVPPI-WTALZMIHSA-N 477.948 5.544 50 40 JKGB Cc1c(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 13595777 WNLRIPSPXHTENF-RWPZCVJISA-N 494.820 6.107 50 40 JKGB CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3Cl)C3=C2C(=O)CCC3)cc1 15218665 PIHYIMDEFWXBLH-XMMPIXPASA-N 491.979 5.399 50 40 JKGB C=CCNC(=O)/C(C#N)=C\c1ccc(OC(=O)c2c(Cl)ccc(Cl)c2Cl)c(OC)c1 27563533 KJKQUNJYKVEVSA-LCYFTJDESA-N 465.720 5.084 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1cccc2ccccc12 59334677 WRWRGVWFIXYXLB-NDENLUEZSA-N 479.374 5.575 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 59335737 MEKQYNMTWGRCAL-IWIPYMOSSA-N 497.551 6.155 50 40 JKGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(Br)cc2)C2=C(O)CC(C)(C)CC2=N1 103708429 KSDQKJQEWVXOBM-LJQANCHMSA-N 475.408 5.651 50 40 JKGB Cc1cc2c(cc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)[C@@H](C)CC(C)(C)N2C 208209201 VGBOCVWDXFYZPW-DDBXXPGKSA-N 455.602 5.103 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1cccc(C)c1 408541341 FYYGBUSTRXXROO-UUYOSTAYSA-N 492.369 6.498 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1ccccc1F 408549786 ZAAKYRXPCTZUCE-QRVIBDJDSA-N 488.356 7.393 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1F 408579576 IBCVKXGUEJJYOW-YBFXNURJSA-N 486.768 7.283 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1)C(=O)Nc1ccccc1 408742069 MUYYDWAMYFOYTG-ZDLGFXPLSA-N 477.314 5.302 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408779124 RRCSOZBJHDXUNY-WQRHYEAKSA-N 488.456 5.466 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(C)cc1 408789400 PTJPBAYHFFLORC-YDZHTSKRSA-N 474.988 6.789 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc(F)c1 408792321 AKJDMZWIKNQPLN-VXLYETTFSA-N 495.348 6.030 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12 408797050 FOEJJZDLBLQQTN-RCCKNPSSSA-N 497.938 6.835 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OCc2ccc(C)cc2)c1 408806923 CFMVFVPIHGBQEO-YBFXNURJSA-N 467.352 6.435 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 408814456 ZFCJPFSHHHXBSM-DEDYPNTBSA-N 495.362 6.295 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)cc2Cl)cc1 408821848 KULMSXLSVDGMIH-ZDLGFXPLSA-N 455.316 6.566 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)c(OC)cc1Cl 408823504 FOLOUBDYADGOMX-VCHYOVAHSA-N 493.903 5.390 50 40 JKGB Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1 408870385 VADISTMFMGPEEJ-FYJGNVAPSA-N 463.350 6.342 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)cc1 408888332 ZFRNGKCQLWTMCP-QGOAFFKASA-N 497.370 5.071 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)c2C)cc1C 408982935 ZVTDRHNFABTADD-FUGGPRTCSA-N 492.623 5.722 50 40 JKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)C(=O)Nc1ccc(Cl)cc1Cl 409021618 QKRWMWMXICAUCC-XFXZXTDPSA-N 465.814 7.405 50 40 JKGB Cc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Br)cc2)cc1 409219344 LKJHDIKVXKICMA-MXAYSNPKSA-N 471.738 5.394 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)NC3=C2C(=O)CC(C)(C)C3)cc1 715902 XXTUHRKXONKEEC-XMMPIXPASA-N 473.598 5.132 50 40 JKGB Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 1887974 CGVBDLHDNYDKEI-YMGIJWJESA-N 473.985 5.713 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3cccc(C)c3C)N(c3ccccc3)C2=O)cc1 2225014 NIKPCJDOOPWJIM-SJUMRLIPSA-N 467.594 5.677 50 40 JKGB Cc1ccc(OCC(=O)N/N=C/c2cccc(OCc3cccc(Br)c3)c2)cc1C 2771720 QHULNURWSJTYSD-VULFUBBASA-N 467.363 5.174 50 40 JKGB N#CC(C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)=C1Nc2ccccc2N1 3330517 UFUVSDROTOSGLW-UHFFFAOYSA-N 450.523 5.943 50 40 JKGB O=C(CCCCCCCCC(=O)N/N=C/c1c[nH]c2ccccc12)N/N=C/c1c[nH]c2ccccc12 8739104 JMYDRROZRRKQCF-GKTLAHRSSA-N 484.604 5.370 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 12566941 DXXPYZIAJNNHJR-XMHGGMMESA-N 497.894 6.166 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSc3ccccc3)c2C)c(C)c1 20243687 DSFOGWDLMMUDOZ-DHRITJCHSA-N 470.436 5.716 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OCC)c2)cc1 20763943 BFLYHOOZBOPQTA-JVWAILMASA-N 497.389 5.589 50 40 JKGB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCc2ccc(Cl)cc2)N1 27550289 DZRGHWXYVHMMJB-QFIPXVFZSA-N 487.452 6.964 50 40 JKGB CCOC(=O)C1=C(n2c(C)cc(/C=N/NC(=O)Nc3ccc(C)cc3)c2C)S[C@H]2CCCC[C@@H]12 32107164 AUYFHUKDPARSMI-ODDWMBNNSA-N 480.634 5.606 50 40 JKGB CCCCCN1C(=O)/C(=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c2ccccc21 102978903 CVEIZELOFLJJKP-XLVZBRSZSA-N 492.044 6.303 50 40 JKGB C[C@H]([C@H]1CCC[C@@H]1P(C1CCCCC1)C1CCCCC1)P(c1ccccc1)c1ccccc1 106804821 YCLRKHVADAQIPR-NSQROVRMSA-N 478.641 8.824 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 209279715 UHRCZCNUMOFWLG-KQWNVCNZSA-N 456.542 5.917 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408598474 BEPLAZQBKPSFEF-OKCVXOCRSA-N 499.438 7.033 50 40 JKGB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)N2C(=N1)SC(C#N)=C2N 408603245 FIIZFKPXZGSTAW-IBGZPJMESA-N 489.384 5.590 50 40 JKGB O=C(O[C@H](C(=O)c1ccccc1)[C@H](Br)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 408674381 ZPUOZWRHYRXUNT-CTNGQTDRSA-N 488.721 5.793 50 40 JKGB CCOc1c(Br)cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1Br 408753642 GZBOJFRCCSECTC-FSJBWODESA-N 476.168 5.527 50 40 JKGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC 408790031 MHXUHHKGPZZELS-OQLLNIDSSA-N 461.743 5.612 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1OCc1ccc(Cl)cc1 408791467 XWKKFGWOFXEREC-BUVRLJJBSA-N 486.999 6.819 50 40 JKGB Cc1ccc2ccccc2c1COc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 408796051 CXNVJBXTYWUXOX-PXLXIMEGSA-N 452.941 6.926 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1C 408802121 DGOJXNGPRUOTCZ-ZXVVBBHZSA-N 482.583 7.735 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OC(C)C 408809504 HRPAOAPLPBFKTB-XQNSMLJCSA-N 456.542 5.997 50 40 JKGB O=C(N/N=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1cc2ccccc2o1 408843327 FKUFGFARAIWSGH-ZRGSRPPYSA-N 484.295 5.991 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc2c(c1)OCO2 408857093 MYLTUMPBXCXQPO-MBTHVWNTSA-N 454.482 5.233 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1OCc1c(C)ccc2ccccc12 408884042 SMYOMRIXEDSMOE-KOEQRZSOSA-N 476.576 6.844 50 40 JKGB O=C(COc1ccccc1Cl)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408912888 ONFTVKUDXBYHJB-RPPGKUMJSA-N 463.748 5.755 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccco1 408928172 WTDCKAXQZVGYQW-CXUHLZMHSA-N 461.732 6.042 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408945314 OAFFIDRJYGBAJT-NVNXTCNLSA-N 488.758 6.298 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2cccc(C)c2C)cc1 409026629 UYQTWHXXWZEUFM-RDRPBHBLSA-N 485.609 5.111 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Cl)cc1 409073289 GSOFREHKVWYUOR-DTQAZKPQSA-N 473.337 5.307 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccc(Cl)cc1Cl 409091689 TUPOJGMPVHWAOV-XMMPIXPASA-N 497.334 5.528 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1cccc(C)c1 409238482 DOXMROPWUFYWFJ-IWIPYMOSSA-N 474.988 5.892 50 40 JKGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)cc1Cl 409314246 FMQBSJRLUIQRQV-QFEZKATASA-N 451.350 5.510 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)NC(=O)C[C@@H]1c1ccccc1 409322504 KCWHSKDKCOWKIA-CQSZACIVSA-N 465.884 5.069 50 40 JKGB N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccc(C#N)cc1 409369113 CUFDTCIKKXTNSM-JMIUGGIZSA-N 494.186 6.726 50 40 JKGB CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C/c1ccccc1O 1769537 WLZKWEPYHFOXDM-LFIBNONCSA-N 497.370 5.606 50 40 JKGB CC(C)(C)c1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 1825312 HDERBMMXMLBPOX-YDZHTSKRSA-N 456.662 5.370 50 40 JKGB CC(C)c1ccc(-c2cc(C(=O)N/N=C/c3ccccc3OCc3ccccc3)c3ccccc3n2)cc1 2109694 YIOUAQQWUIRTLP-KEIPNQJHSA-N 499.614 7.368 50 40 JKGB COc1ccc(-n2c(SCC(=O)N/N=C/C(C)=C/c3ccccc3)nnc2-c2ccccc2)cc1 4468474 HDVOFAWHOCZKSE-QQLOIZATSA-N 483.597 5.241 50 40 JKGB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc(F)cc1)N2 6445803 CWVCHWPJVBGHNO-LVTPPWGZSA-N 499.951 6.681 50 40 JKGB N#C/C(=C\c1ccccc1I)c1nc(-c2ccc(Br)cc2)cs1 8400076 SESUSHXDKOJYOH-NTEUORMPSA-N 493.167 6.241 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Br)c1OCc1cccc2ccccc12 9028253 WCGUHERCCWFEGD-MZJWZYIUSA-N 493.357 5.855 50 40 JKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)cc1OC 9539667 FFWCYNOLVQXVAW-HMMYKYKNSA-N 461.525 5.507 50 40 JKGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)c1cccc2ccccc12 16712159 DGHWNZNVOFKYLA-AJBULDERSA-N 492.604 5.480 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc(OC)c1OC(F)F 22608600 NRLBAOISPFSGQU-VZUCSPMQSA-N 456.392 5.998 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 33923318 VHYSDWPYIMZRIV-SXGWCWSVSA-N 498.764 5.754 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 34910507 HEGTYCGAEZYEDM-KVSWJAHQSA-N 489.519 5.515 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)COc3ccccc3-c3ccccc3)o2)cc1 71335764 HWOSLZBZWNKCKN-MIXAMLLLSA-N 468.509 5.319 50 40 JKGB COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C(C)C)cc3)C3=C(O)CCCC3=N2)c1 102499227 HCPXECJBEJNUIA-SANMLTNESA-N 487.625 6.460 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc2ccccc12 408580371 OYDFDPYAYOVGDY-OEAKJJBVSA-N 474.387 8.188 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Br)cc2)c1C 408587448 FZKZFMMXMJHWBZ-WYMPLXKRSA-N 460.759 5.283 50 40 JKGB COc1cccc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1OCc1ccccc1Cl 408612281 YBUCPSSFBRWTPB-HXUWFJFHSA-N 493.991 5.041 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccccc1F 408788136 BHMUEUHDGSRTEU-XDHOZWIPSA-N 495.348 6.112 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 408797219 BYCFNALXRAIVRX-FYJGNVAPSA-N 487.386 7.580 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1c(C)ccc2ccccc12 408799962 MCGAQONELANVAI-HZHRSRAPSA-N 466.968 7.235 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 408809345 LAFCTNMFACTWKO-FWMOMEHNSA-N 463.534 5.174 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)c1C 408817739 WRFGKCFABDCQCJ-ZXVVBBHZSA-N 482.583 7.735 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)cc(Cl)c1OCc1ccc(Cl)cc1 408820384 XMPAVNMIXVPIIV-VCHYOVAHSA-N 471.340 5.787 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC 408858999 VHQPLVZHLNEFFZ-YQYKVWLJSA-N 463.581 6.344 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1Cc1ccccc1Cl 408875242 IARQWCHMDPBJNW-LICLKQGHSA-N 455.316 6.278 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 408880403 JRISYQWOQHZXGQ-GZTJUZNOSA-N 477.860 5.022 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1cccc(C)c1 408912125 LWWMMBZCWZMERO-JFLMPSFJSA-N 452.938 5.155 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408967367 QDVYZNPBPZTKII-UHBFCERESA-N 455.524 6.103 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc2c(c1)OCO2 408982039 FIQVJDVVBWDEJS-JMIUGGIZSA-N 490.943 5.901 50 40 JKGB O=C(N/N=C\c1cccn1-c1cccc(Br)c1)Nc1ccc(Br)cc1 409013592 MWFJXGZWIRCBAI-MTJSOVHGSA-N 462.145 5.158 50 40 JKGB C=CCOc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 409042439 KVDWVMBTFVLALA-MUFRIFMGSA-N 476.363 6.537 50 40 JKGB CCCOc1cccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c1 409045416 PMHXYUOFMADECK-OGLMXYFKSA-N 470.598 6.415 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1)c1nc2ccccc2[nH]1 409046189 JIZAQYANPIQHFJ-CXUHLZMHSA-N 499.195 7.275 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2OCc2ccc(C(=O)O)cc2)cc1 409187460 QQCPXFDYKMFIET-JCMHNJIXSA-N 456.498 5.080 50 40 JKGB O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2 409220384 YJKGKLOHZQRMCY-KALUYTGESA-N 491.714 5.359 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1 409220415 YYGBVYVIOLXORJ-LDADJPATSA-N 480.351 5.865 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 409242216 VPVAKLYXLQTTKM-SOSVVEOHSA-N 493.582 6.597 50 40 JKGB O=C(N/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cc2cc(Br)ccc2o1 409247481 HPKJMVBBCCQQJZ-CCVNUDIWSA-N 490.332 6.101 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1 409253798 VJZAHPSJVYKESE-XSFVSMFZSA-N 489.959 5.610 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1OC 409312135 DCILLWGSCXVAEQ-MBTHVWNTSA-N 485.367 5.910 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1 1090996 BZYGKSWOQQLQKN-SFQUDFHCSA-N 467.403 6.260 50 40 JKGB CSc1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 2212271 FNWYBJNZBMWDJA-VULFUBBASA-N 495.029 5.003 50 40 JKGB CC(C)Oc1ccc([C@@H](CCN(Cc2ccc(Cl)cc2)C(=O)CCl)c2ccccc2)cc1 2343415 IOUAWEXMYYPXPR-SANMLTNESA-N 470.440 6.917 50 40 JKGB COC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)sc(C(C)=O)c1C 2357718 QDJVBBMVRMADGI-GDNBJRDFSA-N 453.545 5.154 50 40 JKGB Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1 2422756 CPRQTXPMMXTATF-YMGIJWJESA-N 475.520 5.338 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)coc3c2)cc1 2886961 SIFMKGMBMRJWHZ-FYJGNVAPSA-N 481.504 6.032 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCCOc1ccc([C@H](C)CC)cc1 8842891 USVWPYTVXSWJEO-PAYBXDNHSA-N 495.019 6.474 50 40 JKGB O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccccc2OCc2ccc(Cl)cc2)[nH]n1 9374521 YTTQXKUJLMPJKE-WKULSOCRSA-N 469.932 5.554 50 40 JKGB CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc1OC 9693269 PNTKQPFDPYSQCU-SFHVURJKSA-N 469.994 5.275 50 40 JKGB CCc1ccc(N2CSC3=C(C#N)[C@@H](c4c(OC)ccc5ccccc45)CC(=O)N3C2)cc1 9693485 VFUCALUNLJHELG-QFIPXVFZSA-N 455.583 5.630 50 40 JKGB COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 12465638 CGVDJDXSHPSUDJ-JZNDDVEWSA-N 473.356 5.499 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1Cl 12604505 SYTDHQJDTQJIRX-WOJGMQOQSA-N 486.877 6.492 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc3ccccc3c2)NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 13174338 AONSCKMLFXLLFS-DEOSSOPVSA-N 455.539 5.234 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 13388108 NKKYGBNVKCSIQX-YRNVUSSQSA-N 456.773 5.101 50 40 JKGB Cc1cccc(CN2c3ccccc3C3=C([C@@H](c4ccccc4Cl)C(C#N)=C(N)O3)S2(=O)=O)c1 20558645 MPQHCCGFGCYBLG-QHCPKHFHSA-N 489.984 5.175 50 40 JKGB CCCCCC1=CCC/C1=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 25387902 HCTFAISXYYXFHO-CCFHIKDMSA-N 452.598 7.319 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSCc3ccc(Cl)cc3)cc2)cc1 28213773 LNKPZOKEKYVAAS-MZJWZYIUSA-N 482.005 5.049 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 33728488 XAMKWEYQDWIFQK-JJFYIABZSA-N 470.304 5.596 50 40 JKGB CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1 38682386 UBGRKBYRDNOYBD-RUZDIDTESA-N 472.566 5.635 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2F)c1C 59201435 PFCLSZJRRJABKT-UDWIEESQSA-N 479.349 6.330 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 59334388 IMALPNXHYCMOTE-AUWJEWJLSA-N 484.177 5.339 50 40 JKGB O=C(COc1ccccc1-c1ccccc1)N/N=C\c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 71335760 FCJJQTZPELSVRE-NUJZUDFISA-N 499.781 7.103 50 40 JKGB O=C(OCCCCCl)[C@@H]1CC[C@@H]2[C@H](C1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 254309590 QNGXUOGPVMCDDM-XKSWNSKZSA-N 489.481 6.427 50 40 JKGB CCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(-c2csc(C)n2)cc1 408529320 GXSKNKHVOTVORX-CFRMEGHHSA-N 472.408 5.824 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 408539715 YFDHFPZUDVOLDV-YBEGLDIGSA-N 462.333 6.406 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=N\NC(=O)COc3cccc4ccccc34)c3ccccc32)c1 408543175 PVUHHALHHFJHAF-LJUMEUDFSA-N 491.547 5.159 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 408551226 MOHZCQYOVPSPJL-DICXZTSXSA-N 476.532 7.128 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(OCC)c1OCc1ccc(F)cc1 408570729 XWSBPHNYCVNBMH-BKUYFWCQSA-N 471.507 6.611 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OCc1ccc(Br)cc1 408598711 JCOLHBWNRDMMEB-ODLFYWEKSA-N 454.751 6.754 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccc(F)cc1 408678462 ZHHIHBXAQMMRDU-RDRPBHBLSA-N 461.537 5.168 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1cccc(F)c1 408746956 INHZLYAHSDQJKL-JAIQZWGSSA-N 495.348 5.399 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1I 408761055 HAZXHRMRRVPRNC-KAMYIIQDSA-N 474.685 5.750 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1cccc(C)c1 408788993 NRYOMTVRTSBTSL-YDZHTSKRSA-N 474.988 6.789 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC#N)c(Br)c2)c1 408791111 UEQAABYKXAALCH-OVCLIPMQSA-N 489.167 5.277 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(F)c1 408794877 JLWVAWMZYSQNFD-CAOOACKPSA-N 481.867 5.521 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1 408796943 QKVOIYRFYQPROZ-HYARGMPZSA-N 487.386 7.580 50 40 JKGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Br)cc1 408797915 HHHKUWRHCMDSTJ-COOXJWIVSA-N 453.380 5.630 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 408799817 LOBGCNRCTBGFSM-LTGZKZEYSA-N 452.485 6.112 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OCc1ccccc1 408805502 KUTADURLTOIAMS-MNOULKQQSA-N 491.385 5.821 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(OCc2cccc(Cl)c2)c1 408807280 GVFFJHQQWVLGOY-YBFXNURJSA-N 467.352 6.435 50 40 JKGB O=C(N/N=C\c1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1)c1cc2ccccc2o1 408846009 OJRKNXUOKRUBFY-RMORIDSASA-N 488.681 5.781 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 408855471 NKRDHSHJSGFVSN-KGENOOAVSA-N 470.931 7.065 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(F)cc1 408856876 RPZRZVOUUIUHMI-LDADJPATSA-N 451.295 5.713 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1OCc1ccc(Cl)cc1Cl 408878915 DAZCVAKTYKVRKN-MUFRIFMGSA-N 494.378 6.136 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1ccc(Br)cc1 408900269 UOAJEHTXQQQPQK-HMMYKYKNSA-N 497.348 6.367 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccccc2-n2cccc2)c1OCc1ccc(Cl)cc1Cl 408921658 BVMFXRWTVRCVEH-MUFRIFMGSA-N 494.378 6.136 50 40 JKGB COc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(OC)c1C 408944469 MORMFEQFTCRGMQ-MIXAMLLLSA-N 453.542 5.542 50 40 JKGB COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)ccc1OCc1ccccc1Cl 409019228 ZMYGXTKHSRYQQZ-FDVSRXAVSA-N 475.932 5.005 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OCC)c1OCc1ccc(F)cc1 409071117 NLKWLQURQJNFFW-LFVJCYFKSA-N 470.544 6.386 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409081502 PSLPNIBDRFUPPQ-SFQUDFHCSA-N 467.403 6.260 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1 409186363 AXHZFXBRTZYGML-JJFYIABZSA-N 465.585 5.159 50 40 JKGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)c1 409212487 MQXSOPHABZMZQQ-LGJNPRDNSA-N 469.994 5.085 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1cc(Br)ccc1O 409215251 WCZXEONPXRZZEG-WKULSOCRSA-N 498.380 6.075 50 40 JKGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCc1ccccc1 409234363 ZOQMTQWZMNAIMZ-UNOMPAQXSA-N 452.432 5.839 50 40 JKGB Cc1c(/C=N/NC(=O)[C@@H](O)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 409273599 ZILUWNLNKRBUQA-VLQKAMOESA-N 466.368 5.489 50 40 JKGB Cc1ccccc1Cn1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21 409393276 WSZOQXNEFUCQHA-UZWMFBFFSA-N 457.577 6.280 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(-c2c(Cl)cc(Cl)cc2Cl)s1 2083107 VHSQFPJFMUPIDZ-GOSISDBHSA-N 479.816 6.826 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)nnc1-c1ccc(C)cc1 2336925 KDOOXMZLWXCFKM-OGLMXYFKSA-N 485.613 5.095 50 40 JKGB CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 2669554 LVKHJQGNSSXFSU-XDJHFCHBSA-N 459.458 5.357 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccn2c1C(=O)c1ccccc1 3186237 WWWAOEQPXNQQET-XMHGGMMESA-N 473.454 6.043 50 40 JKGB O=C(NNC(=O)c1ccc(CSc2nc3ccccc3o2)cc1)Nc1ccc(Cl)cc1 3237217 GZUJRMZGAYJQGR-UHFFFAOYSA-N 452.923 5.240 50 40 JKGB N#C/C(=C\Nc1ccc(Br)cc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1 11853119 FKJXIWYDUAVFTE-CSKARUKUSA-N 469.166 6.995 50 40 JKGB O=C(NN=C(c1ccc(F)cc1)c1ccc(F)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 13897565 HMOZZLGYGKLNTP-UHFFFAOYSA-N 478.502 6.000 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 18137528 XDFCFOZSUVZDKE-QFIPXVFZSA-N 454.917 5.527 50 40 JKGB Cc1ccccc1CN1c2ccccc2C2=C([C@H](c3cccc(Cl)c3)C(C#N)=C(N)O2)S1(=O)=O 20558703 QQSGBCTUJOUTDZ-HSZRJFAPSA-N 489.984 5.175 50 40 JKGB CCCCOc1ccc(C(=O)NNC(=O)c2ccccc2SCc2cccs2)cc1OC 21708007 MTQJHTMLGXIDER-UHFFFAOYSA-N 470.616 5.303 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc(F)cc2)cc1)c1cc2cc(Br)ccc2o1 35213663 FHGNNIYQJLHOCU-ZMFRSBBQSA-N 467.294 5.677 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1 40144559 LJLIUVLIBNKRLM-XDHOZWIPSA-N 452.432 5.839 50 40 JKGB C/C(=N/NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1cccc(C(F)(F)F)c1 96399193 IPXOXZYYQSGJSC-MWLSYYOVSA-N 458.509 5.559 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 105070936 HEJJWRKCEPUWEZ-KKMKTNMSSA-N 493.774 5.764 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 209483740 CGPJCPHYRQHMHP-SRZZPIQSSA-N 478.342 6.108 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(OC)c1OCc1ccc(Cl)cc1 408542184 HKWYDCNOGRKGCI-UCQKPKSFSA-N 483.999 7.213 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408581319 WDHXWVRDHUOBJW-LZYBPNLTSA-N 489.742 7.207 50 40 JKGB CC(=O)Oc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1Br 408753790 NVEJIQNTWBOUAM-SDQBBNPISA-N 454.107 5.227 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)Nc1ccccc1Cl 408790805 YZMNPSPMLFQPRZ-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1C 408800891 RTRFYVUIKSXTKI-XQNSMLJCSA-N 477.520 6.490 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1c(C)cc(C)cc1C 408805571 GVOYRCVJISVURS-HWWLORTCSA-N 460.618 6.191 50 40 JKGB CC(C)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 408810557 JCFUZOOXXZDYSQ-KGENOOAVSA-N 491.385 6.361 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1cccc(F)c1 408850760 DWFWIMHQUWOOHD-WKIKZPBSSA-N 497.320 5.686 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408852336 JRFIIPKMHKRHRX-GXHLCREISA-N 454.404 5.574 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c(OC)c1 408865822 DUUJHVAHEBPUBN-CVKSISIWSA-N 478.548 5.659 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c([N+](=O)[O-])c1 408879562 FGGIOVXUPXQHCF-WOJGMQOQSA-N 482.323 6.335 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c(OC)c1 408879796 GRXYBOVNXGCUJD-OQLLNIDSSA-N 457.313 5.494 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 408981591 BVFGWKHRFCOAPQ-JMIUGGIZSA-N 481.379 6.744 50 40 JKGB CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1 409039299 CIMJDULCTPPFJF-RIYZIHGNSA-N 466.129 5.973 50 40 JKGB C#CCOc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 409039726 RXXCYWQWMHMDSQ-MUFRIFMGSA-N 474.347 5.985 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)c1C 409044359 BOBLCAQXHFJFNQ-VXLYETTFSA-N 496.350 6.643 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1ccc(O)cc1 409067711 QWZKIQRPKJKODJ-XNTDXEJSSA-N 489.336 5.012 50 40 JKGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Br 409208879 AQAONUWFASNRKA-YSRRJJCPSA-N 455.805 5.522 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409237329 VZLCFLSRVIUWTG-WCEBZYJUSA-N 491.931 5.620 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCC(=O)Nc1cccc(C)c1 409311471 GOJZLJXEAHXYPN-ULJHMMPZSA-N 462.549 6.629 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccccc1F 409320587 CAMHZCQIPCYEOS-MUXKCCDJSA-N 486.927 5.238 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 409360020 CYKWEARRWAKTPH-CCVNUDIWSA-N 450.369 5.998 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)ccc1OCc1ccc(Br)cc1 409376987 DHMDZSQOZZJBNC-BKUYFWCQSA-N 494.389 5.522 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 409378128 MHOLOHDMLUSEFY-FMCGGJTJSA-N 475.552 5.330 50 40 JKGB Cc1ccc(C)c(OCCn2cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c3ccccc32)c1 781546 FMJXWKNYOAIREC-PGMHBOJBSA-N 469.972 6.536 50 40 JKGB Cc1nc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 4091520 BNTGFOGXHPDJBI-UVHMKAGCSA-N 451.357 6.021 50 40 JKGB O=C(N/N=C/c1c(-c2ccccc2)nc2sc3c(n12)CCCC3)c1ccc(Br)cc1 6017298 ZGWNWGXTBVGLJL-AFUMVMLFSA-N 479.403 5.468 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)Nc1cccc(Br)c1 12428634 KSJZXDNHXAPHIF-JYRVWZFOSA-N 471.694 5.606 50 40 JKGB CCOC(=O)c1c(NC(=O)COC(=O)/C(C#N)=C/c2cc(C)n(CCC(C)C)c2C)sc(C)c1C 12542566 GAOLLZVHKSCKRG-CIAFOILYSA-N 499.633 5.095 50 40 JKGB C/C(=N\NC(=O)c1ccc(CSc2cccc3cccnc23)cc1)c1ccc(Cl)c(Cl)c1 12601235 ZZDGOJCBCYEMCD-MUFRIFMGSA-N 480.420 6.988 50 40 JKGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCCCCCCC1)c1cccc2ccccc12 19955264 LSHJJTNJMFVOPS-UHFFFAOYSA-N 457.640 5.383 50 40 JKGB CCOc1ccc(/C(CC)=N\NC(=O)c2cc(-c3ccc(CC)cc3)nc3c(Cl)cccc23)cc1 22743516 RLUWALNZISSCCI-FSRJSHLRSA-N 486.015 7.060 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc(C)cc1 33783046 KFVHEBKVYBJDJW-JMIUGGIZSA-N 476.916 5.480 50 40 JKGB Cc1ccc(NC(=O)[C@@]23CC[C@](C(Br)Br)([C@@H]2Br)C3(C)C)cc1 100848639 REKYONRMOXMTDQ-JCURWCKSSA-N 494.065 5.619 50 40 JKGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N=C2CCCC(O)=C21 102865484 ZTPNOJDEUUCKHL-AREMUKBSSA-N 487.625 6.343 50 40 JKGB COc1cc2c(OC)cc1[C@H](C)[C@@H](C)c1ccc(cc1)[C@@H](Br)[C@@H]2Br 104429893 IXOJPPZTKGLJHW-IIBDXVJDSA-N 454.202 6.497 50 40 JKGB COc1ccccc1NC(=O)COc1c(Cl)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OC 107559588 RAXDPSMFBWROSL-WOJGMQOQSA-N 493.903 5.347 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)c1 408545165 ZMWFGWXWDRNJGC-JCMHNJIXSA-N 479.536 5.421 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccccc1Cl 408548881 MRWDLHZWWXVKRS-FMCGGJTJSA-N 460.360 7.798 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc2ccccc2c1 408765108 WJVPQTVADHJGDY-PXLXIMEGSA-N 497.348 6.367 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OCC)c1OCc1ccccc1C#N 408791600 ZHKWZZAIXILKAQ-JVWAILMASA-N 491.591 6.427 50 40 JKGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC 408795207 LGIFCAFXDRCKGE-WOJGMQOQSA-N 455.352 5.575 50 40 JKGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3OC)cc2OC)c1 408803098 LFMNLMSYSJJCOI-DEDYPNTBSA-N 488.540 5.154 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2n1Cc1ccc(Cl)cc1Cl 408804804 BKPBTTJLIJBLKG-NHDKIMSZSA-N 480.439 6.907 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(OCc2c(C)ccc3ccccc23)c1 408809586 OIJLPFQHFLAOKA-OEAKJJBVSA-N 496.994 7.243 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 408812524 WTQMCRUAFMDADR-FYJGNVAPSA-N 483.911 6.526 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1 408834974 WJDNKGVNNFEFCS-LTGZKZEYSA-N 489.369 6.139 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)c([N+](=O)[O-])c1 408879958 GHDSSDQWVXZQLH-WOJGMQOQSA-N 493.903 5.390 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1Cc1ccccc1Cl 408881137 IBCPSMIXOJDEQM-DEDYPNTBSA-N 465.778 6.547 50 40 JKGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c(C)n(Cc2cccc(C)c2)c2ccccc12 408906097 ALKBPXWWBRHUIV-IEDNCLQISA-N 496.611 5.114 50 40 JKGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Br 408986097 ZNZBZLAMGFTIAE-AUWJEWJLSA-N 466.162 6.175 50 40 JKGB CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 409042592 NREGFSJSLXEMFG-NTUHNPAUSA-N 498.602 6.199 50 40 JKGB N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 409068962 UYPPEJIPFVJTIQ-DTQAZKPQSA-N 473.337 5.307 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OCC)c1OCc1ccccc1F 409075002 WICCXHCTTGHQMU-LFVJCYFKSA-N 470.544 6.386 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1OCc1ccccc1Cl 409076089 XQGMYBSUHNEENY-HZHRSRAPSA-N 472.972 6.510 50 40 JKGB N#C/C(=C\c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)c1nc2ccccc2o1 409079812 MEZWBKKSNOCQPV-NTUHNPAUSA-N 497.250 6.807 50 40 JKGB Cc1ccc(SCCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 409129641 VITZZBLZDZUZBV-VULFUBBASA-N 460.430 6.342 50 40 JKGB COc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 409314783 HJXBDWMEQKIQHP-KGENOOAVSA-N 479.492 5.838 50 40 JKGB COc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OCc1ccc(Br)cc1 409331649 DZHDOVNMXUQVNS-PXLXIMEGSA-N 470.366 7.254 50 40 JKGB Cc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)c(-c3ccccc3)c2c1 409397016 FAFXSNVLBVWVCH-UHFFFAOYSA-N 463.493 5.719 50 40 JKGB CCOC(=O)C1=C(CSc2ccc(C)cc2)OC(N)=C(C#N)[C@@H]1c1cccc(Cl)c1Cl 2319360 YBPQPIPYQYSOJD-IBGZPJMESA-N 475.397 5.719 50 40 JKGB N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 2401386 BHCBUUPKWNRUKL-SCIJIFGBSA-N 495.938 5.683 50 40 JKGB CCCCCN1C(=O)/C(=N\NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c2ccccc21 6172802 PZKUBKBDDRLNSF-VYIQYICTSA-N 471.586 5.066 50 40 JKGB CCCCCCOc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 8427051 GQQPRJCLLDQAIF-VUTHCHCSSA-N 464.993 6.642 50 40 JKGB O=C(NN=C1CCC(c2ccccc2)CC1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 8454676 QXIWOMYVFYIKTD-UHFFFAOYSA-N 453.973 6.999 50 40 JKGB Cc1cccc(CSc2ncc(Cl)c(C(=O)NC3=C(C#N)[C@H]4CCCC[C@@H]4S3)n2)c1 8917364 PFTRUSFYMKRDOL-QAPCUYQASA-N 457.024 5.501 50 40 JKGB C=CCn1c(-c2ccc(OCC)cc2)c(C)s/c1=N\NC(=O)C12CC3CC(CC(C3)C1)C2 9354595 AAGGKQAHLKDPSW-FVDSYPCUSA-N 451.636 5.258 50 40 JKGB CCCCOc1ccc(C(=O)NNc2nc(SC)nc3sc4c(c23)C[C@](C)(CC)OC4)cc1 9451003 GGFMDUCGMRLONZ-DEOSSOPVSA-N 486.663 5.590 50 40 JKGB CC(=O)N(/N=C/c1ccc(C)cc1)c1nc(COC(=O)Cc2cccc3ccccc23)cs1 9493143 JNCCYBYYRNRBON-JFLMPSFJSA-N 457.555 5.278 50 40 JKGB CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)cc1 13149158 SLQDNJNEUQHHGF-LFVJCYFKSA-N 481.415 5.814 50 40 JKGB O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/c1c(F)cccc1Cl 13239498 FEAMEXBLGRKGDD-KKMKTNMSSA-N 487.387 5.773 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 13387997 WHXOQSPGWNJGFT-YRNVUSSQSA-N 473.228 5.615 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC2CCCCC2)cc1C 27019025 APGAVESUQGGXJX-PTGBLXJZSA-N 468.601 5.992 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 34687648 NXNYFCRDRXHSRW-LICLKQGHSA-N 481.867 5.478 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1OCc1ccc(F)cc1 82068068 OWVLZHVXKZSNAM-PDGQHHTCSA-N 470.422 5.978 50 40 JKGB c1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cn2-c2ccccc2)cc1 95671048 WUTQZAMLXNIXMR-UHFFFAOYSA-N 481.559 6.159 50 40 JKGB Cc1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)c(C)n1-c1cc(Cl)ccc1Cl 96022741 AHWRKVBWMLSLRN-ODLFYWEKSA-N 450.394 7.589 50 40 JKGB Oc1c(Cl)cc(/N=C\c2ccc(N(CCCCl)CCCCl)cc2Cl)cc1Cl 104138073 LGYYSZAZYGXOEK-ROTLSHHCSA-N 468.639 7.167 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)Sc1nc2ccccc2s1 109019260 UTRZTAZFRWJRKW-LDADJPATSA-N 492.456 8.263 50 40 JKGB CC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)[C@H](Br)[C@]12C 123199252 AADCNQYPXUSRGN-GTHVLSNMSA-N 497.470 5.081 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc21 223477392 WFNZAQNEWXRKHY-AFUMVMLFSA-N 452.580 5.248 50 40 JKGB Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Br)cc3)nn2-c2ccccc2C)cc1 408727778 XOGJIOVQXMNZRI-JVWAILMASA-N 473.374 5.683 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)cc1 408744313 KICPSUTUUFQLRE-BKUYFWCQSA-N 476.960 6.180 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc2c(c1)OCO2 408745015 OTHCUHPQGBXHQB-MTJSOVHGSA-N 456.498 5.247 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 408754307 QBPAGVWXROIZNW-SFQUDFHCSA-N 496.350 5.565 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1 408790600 QGSIWOCXBHGFNF-VXLYETTFSA-N 467.352 6.435 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1c(C)ccc2ccccc12 408810902 NBVQFZHCZOPUIS-LFVJCYFKSA-N 462.549 6.590 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC 408816785 ZFAWLOZSQKFDNX-CXUHLZMHSA-N 477.786 6.144 50 40 JKGB CCOc1cc(Br)c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 408819814 RYXVMYHYLRXJTM-YVNNLAQVSA-N 496.155 5.129 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Cl)c2)c(OC)cc1Cl 408836034 PKCYBQSPFWOODS-VCHYOVAHSA-N 483.351 6.135 50 40 JKGB Cc1cc(C)cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 408891005 JTYDLBHNTOZZOL-TURZUDJPSA-N 488.587 7.007 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccccc4Br)c3C)cc2c1 409187879 VLURQPKEYKFCMG-WGARJPEWSA-N 480.362 5.765 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OCC)c1OCc1cccc2ccccc12 409191365 WOQRUTWMLIQJKY-BIZUNTBRSA-N 499.010 6.963 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1ccccc1F 409229370 OBCGZABLDAULQZ-WKIKZPBSSA-N 489.316 5.008 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C 409250166 LMXFAWZTRRRNTD-WOJGMQOQSA-N 493.922 5.359 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 409364440 XFXDWEWGQMZOHI-YUMHPJSZSA-N 481.390 5.428 50 40 JKGB CC(C)(C)c1cc(SSc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O 1786747 NEUPRVAMTYHIQV-UHFFFAOYSA-N 474.776 9.087 50 40 JKGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 1915665 OMCSRAAVKARYDC-CIAFOILYSA-N 457.910 5.405 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 2309795 KAJYGVFTDNGJMS-JOCHJYFZSA-N 484.408 5.794 50 40 JKGB Cc1c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2n1Cc1ccccc1 3025584 SJGOQLRFPSBCQO-RUMWWMSVSA-N 473.576 5.384 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1 9353346 KYWJPSIPEOPOSS-PGMHBOJBSA-N 469.972 6.596 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccccc1F 10130332 QLUSYVHFBQWSMY-DEDYPNTBSA-N 473.504 5.014 50 40 JKGB Cc1ccsc1[C@@H]1C(C#N)=C(n2cccc2)N(c2ccc(Br)cn2)C2=C1C(=O)CCC2 12463220 NSEUOADJHSHHLT-OAQYLSRUSA-N 491.414 6.019 50 40 JKGB O=C(N/N=C/c1ccc(Oc2ccccc2)cc1)c1ccc(CSCc2ccccc2)cc1 16158204 MIJTUMLZHCJUNL-VUTHCHCSSA-N 452.579 6.676 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)c(C)c1 16735941 SXHHIORRNSOQRE-NKFKGCMQSA-N 474.564 6.267 50 40 JKGB Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1F 16741426 MYRQYEJQWBPPJF-DEOSSOPVSA-N 468.532 5.438 50 40 JKGB Cc1cc(N(CCC#N)CCC#N)ccc1C(/N=N/c1ccccc1)=N\NC(=O)c1ccccc1 16958892 YXSCJIQLOCNIKL-NOKXCCNCSA-N 463.545 5.504 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSCc3cc(C)cc(C)c3)cc2)cc1 28213667 QCQURNMWQXWYQU-RWPZCVJISA-N 475.614 5.013 50 40 JKGB CC[C@@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1 33617299 VAMDQCBGIWKRME-BXIPXKNPSA-N 485.584 6.207 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3)c(Br)c2)cc1 59335229 NYUQYWGKKHRHMA-ODLFYWEKSA-N 481.777 6.536 50 40 JKGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@@H](Br)C2=O 103112324 NGZWVRXNRXLQKS-IGKWTDBASA-N 488.809 5.668 50 40 JKGB C[C@@H](C[C@H]1CC(=O)c2c3c(c4ccccc4c2O1)O[C@@H]1CC(=O)O[C@H]31)O[Si](C)(C)C(C)(C)C 195752316 BNJSPQNGLIXZGN-BUZWEBDQSA-N 468.622 5.723 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 408527249 FOBJVYFZUZDLHV-VPUKRXIYSA-N 483.321 5.982 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1cccc(F)c1 408540614 AIXDNVDGOXFXBA-LSCVHKIXSA-N 480.879 5.311 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c(C)c1 408551897 GUNLNCTZLJPABE-XDHOZWIPSA-N 494.378 6.173 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccccc1 408578903 BQSXHNGCRRKALT-GZTJUZNOSA-N 453.325 6.084 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)NC[C@H]1CCCO1 408735658 VUGPPZLNALTXAH-VOSMRYOYSA-N 491.385 5.383 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 408747110 ZQABODZWLRRIJQ-WQRHYEAKSA-N 481.321 5.721 50 40 JKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)cc2)c1 408786133 MTNBMZXZDADKBE-UQQQWYQISA-N 462.549 6.752 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc2ccccc2c1 408793945 QXNHMZZVZDMCDD-AFUMVMLFSA-N 496.994 7.243 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1Cl 408795014 UKCUFHDNBAXKKY-RQZCQDPDSA-N 498.322 6.035 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC 408798138 UXAUODPLOPCRTC-OQLLNIDSSA-N 461.743 5.612 50 40 JKGB CCc1cc(C)cc(OCC(=O)N/N=C\c2c(Br)c(C)n(-c3ccccc3)c2C)c1 408845818 LPUFZXYIEBZZED-WGARJPEWSA-N 468.395 5.257 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408846318 IPKJGFSPRGRREA-YBFXNURJSA-N 485.798 7.388 50 40 JKGB N#C/C(=C\c1c(Cc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccccc1Cl 408876981 SEFJIAODRYEPIJ-LTGZKZEYSA-N 457.360 7.283 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccc(C)cc1 408890548 VMXQPBPWWPUHRA-CIAFOILYSA-N 457.486 5.345 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OCc2ccccc2Br)c1 408893481 GKAINLQFQKDQPD-FYJGNVAPSA-N 491.385 6.199 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OCc1ccccc1 408982729 FAZOAUCMGKOGCR-HZHRSRAPSA-N 472.972 6.510 50 40 JKGB CC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)cc1 409040339 TWCKHRXONACYAI-UXHLAJHPSA-N 459.505 6.128 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)c3ccccc3)cc2Br)cc1 409074367 QGFFCZLYEGFMOH-CPNJWEJPSA-N 454.345 5.589 50 40 JKGB Cc1cc(C)nc(Sc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])n1 409110799 YUYQHJLWRBVIOG-RMORIDSASA-N 476.345 5.224 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 409131450 VVLHKJWAUWSVFM-NRFANRHFSA-N 457.288 5.635 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1 409195722 VORBUUPASIDIBB-MZJWZYIUSA-N 457.357 6.043 50 40 JKGB COc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OCC(=O)Nc1ccccc1C(C)C 409303702 OALPDWUTKJDLLK-JJIBRWJFSA-N 476.576 7.053 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccc(OC)cc3)C(=O)N2c2ccccc2)cc1 2222325 VQJTWCVBZOJFDI-NJEMLTPYSA-N 483.593 5.323 50 40 JKGB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)cc12 16044221 SOCULHPEFTWSQY-UHFFFAOYSA-N 483.037 5.085 50 40 JKGB CCC[C@H](Br)C(=O)Nc1nc2c(Br)cc(Br)cc2s1 20132578 SSAUBVJPZIHUGV-ZETCQYMHSA-N 471.012 5.323 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1 27017755 YLHRRDSWKWDHBE-PTGBLXJZSA-N 462.553 6.182 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 34914233 FWFADVCLVPUKIK-WGARJPEWSA-N 457.313 5.375 50 40 JKGB CC(C)(C)c1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(C(C)(C)C)c1O 96585864 ITJPRLMGZPPKLF-ZMFRSBBQSA-N 471.395 6.260 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1 108216633 ZMGAKXCOVXUYQY-JAIQZWGSSA-N 479.330 6.399 50 40 JKGB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](I)CC[C@]4(C)[C@H]3CC[C@@]21C 118912408 PMVJGSYGUZXDAR-VEIPTCAHSA-N 496.561 8.831 50 40 JKGB Cc1cc2c(cc1/C=C(/C#N)C(=O)NCCc1c[nH]c3ccccc13)[C@H](C)CC(C)(C)N2C(C)C 223612805 BRWOGENWGBAGFA-ZPZBNPFISA-N 468.645 6.243 50 40 JKGB Fc1ccccc1-c1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cs1 228971063 YASWYXHAGGCPIE-UHFFFAOYSA-N 454.530 6.443 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)c(C#N)c1C 408547405 WJINENRGSIXSME-MHWRWJLKSA-N 488.521 5.090 50 40 JKGB Cc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Br)c2)cc1 408581908 ZVUIAJZHELUSLV-LDADJPATSA-N 488.790 6.243 50 40 JKGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br 408744813 HKUKWLDRXGIAQB-JYRVWZFOSA-N 452.135 5.866 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)NCc2ccccc2)c2ccccc2n1Cc1ccc(Br)cc1 408745897 ARUCGKIABVHTTB-JCMHNJIXSA-N 484.397 5.984 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)C(=O)Nc1ccc(Br)cc1 408777319 YJEWVSZNUMEVFW-UNOMPAQXSA-N 477.314 5.272 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1C 408789793 LPBIWQKNZWMEIQ-VXLYETTFSA-N 469.343 6.874 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc2ccccc2c1 408793405 FDSZDNJTCVLBQZ-MFKUBSTISA-N 496.994 7.325 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(I)c1OCC 408795324 MBDGYBMLKRQOIO-NTEUORMPSA-N 496.732 5.288 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408806660 GGVHGZLRQYRADC-PXLXIMEGSA-N 463.493 6.181 50 40 JKGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 408810215 JEPNULNVTIBGCE-VYVDHXHBSA-N 463.375 6.003 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12 408819068 WPCGNRPMSDRQPW-KGENOOAVSA-N 497.938 6.835 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1cc2cc(Br)ccc2o1 408854817 BUKRSOUOVFTIRY-AUEPDCJTSA-N 488.681 5.781 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2Br)cc1 408885136 XBWFKJIICNBJKX-RCCKNPSSSA-N 475.342 5.372 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OCc2cccc3ccccc23)c1 408885595 COGKZSCETPPRQQ-OEAKJJBVSA-N 463.493 6.181 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408888647 YGXCRZUHHRCAIK-CXUHLZMHSA-N 471.727 6.412 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408891417 QHSJCFVDQAFZPE-GZTJUZNOSA-N 478.848 5.281 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)c([N+](=O)[O-])c1 408892031 XMPLMMUOQKODKU-VCHYOVAHSA-N 493.903 5.390 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 408940312 ONPKTMNSJMXACH-NSKAYECMSA-N 498.197 5.797 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2C)c1C)c1ccccc1 408983030 ZWUZFWHALIZWHQ-JPJGIZCJSA-N 480.996 5.384 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)c(C)n1-c1ccc(Cl)cc1Cl 409063505 LWRAXTJISXODRP-VROXFSQNSA-N 481.177 5.633 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1 409239778 FDDFZTFCAMIGGR-LZAZYHHXSA-N 474.391 6.781 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccccc2Cl)cc1)C(c1ccccc1)c1ccccc1 409393234 WGHWBCBLWNIQNE-FSGOGVSDSA-N 454.957 6.201 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(C(=O)OC)o3)c3ccccc23)c1 409394206 XEALWWGRFNRMRL-AQTBWJFISA-N 469.497 5.014 50 40 JKGB COc1cc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1c(C)cc(C)cc1C 647845 DEERVTMUNPNKES-NEKDWFFYSA-N 478.596 5.793 50 40 JKGB O=C(COc1ccccc1-c1ccnn1-c1ccccc1)N/N=C/c1cc2ccccc2nc1Cl 2051038 ARVRGXKOVJKCNX-STBIYBPSSA-N 481.943 5.270 50 40 JKGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1 2188131 VBYRTUCACOIXCF-CCVNUDIWSA-N 479.367 5.684 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccccc1)c1ccc(F)cc1 3085912 XSAZHTFWBHETTD-UXHLAJHPSA-N 467.500 5.421 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(-c2ccccc2OCc2ccc(Cl)cc2)n[nH]1 9375126 OBYVYAAQBJCFGN-XODNFHPESA-N 499.785 6.380 50 40 JKGB N#C/C(=C\Nc1ccc(Oc2ccccc2)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 9445061 ZANXNBIADSDNGX-JQIJEIRASA-N 464.377 7.886 50 40 JKGB O=C(NNC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccc(COc2ccc3ccccc3c2)cc1 13101526 FYUOMFQVJHQSGF-MUUNZHRXSA-N 496.563 5.051 50 40 JKGB C/C(=N\NC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1)c1ccc(N2CCCCCC2)cc1 13129367 SFLOZDUTDJHPGD-DFKUXCBWSA-N 490.047 6.762 50 40 JKGB O=C(/C=C/c1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 14356741 SYVDENBJKMBMRP-NTEUORMPSA-N 467.934 5.015 50 40 JKGB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1C 15225844 FAQPRPUHGWXWOU-ODLFYWEKSA-N 478.346 5.409 50 40 JKGB CC(C)c1ccc([C@@H](Nc2ccccc2)[C@@H](SC#N)C(=O)c2cccc3ccccc23)cc1 16575822 XFUSRJUHTYWYQV-XRKRLSELSA-N 450.607 7.582 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 27532503 VMBIWVZUPQRQCM-UKTHLTGXSA-N 472.682 5.816 50 40 JKGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3cc(F)c(N4CCCC4)cc3C)oc12 33516059 XISHGQOQWSUKOS-BRJLIKDPSA-N 474.330 5.016 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(C(=O)O)cc1 35263186 NTUYWWVQQRCUCC-HMAPJEAMSA-N 456.498 5.217 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC 59117526 WXMDFZLLWXELBM-SDQBBNPISA-N 470.150 5.709 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1OCc1ccc(Cl)cc1Cl 101078716 KCRJPLAKSDPOOS-XGNTYNQRSA-N 475.416 6.248 50 40 JKGB O=C(O)c1cccc2c1N[C@H](c1ccccc1F)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21 245232165 PTUQDKITXDSGSS-DBBHOVQTSA-N 498.963 6.471 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 408543108 OZXLZFMAJPZWLD-YUMHPJSZSA-N 473.532 6.307 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1cccc(I)c1 408549576 VBXPCYPIGICTEP-UCQKPKSFSA-N 474.345 6.916 50 40 JKGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 408568757 WWISYHGIIVUYCM-OGLMXYFKSA-N 479.418 6.018 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c1 408745446 MJGKKLPTWYJDKN-UYRXBGFRSA-N 490.390 6.941 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 408783171 LRTDCEVJUUIQBM-GRSHGNNSSA-N 484.350 5.096 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)c1 408792298 AHSYOTZKMWUMBN-RGVLZGJSSA-N 479.349 6.330 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1cccc2ccccc12 408799809 LKLRTBKGVXYXCE-RJDAIPCTSA-N 454.570 6.029 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 408818688 YMHCKLHSERBLRK-KQWNVCNZSA-N 499.973 7.011 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12 408871152 YLPKANTYAGPGIH-NHFJDJAPSA-N 482.583 7.680 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1Cc1ccccc1Cl 408876257 KKEKZBGKWSHSCA-YBFXNURJSA-N 495.804 6.556 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1Cc1cccc(F)c1 408877692 XTNBTVXRMUDUNL-XDHOZWIPSA-N 465.322 5.733 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)c2C)c(C)c1 408941662 QAJNTENAYWHBIF-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB N#C/C(=C\c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C(=O)NCc1ccco1 408988010 CHKLHJFOSZOJNC-XNTDXEJSSA-N 462.512 5.172 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)NCCCc2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 409231653 DVCBNEVXTUJOBF-MOHJPFBDSA-N 468.000 6.307 50 40 JKGB CC[C@H](C)Oc1c(Br)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC 409248462 GRBCJBOUDUWLKU-IZQLPPHKSA-N 471.395 5.291 50 40 JKGB Cc1c(/C=N/NC(=O)CNc2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 409366431 RRFNVUZBZKSJFO-VVEOGCPPSA-N 483.374 6.006 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)c(C)c1 409379816 ZTQYJZMMSSQIES-XDHOZWIPSA-N 477.923 5.659 50 40 JKGB O=C(Nc1scc(-c2ccccc2)c1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 1878892 CLUWDBHUQVVNQU-CVKSISIWSA-N 470.510 5.340 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)NC2=C(C(=O)CCC2)[C@@H]1c1cccs1 2309875 SGQIXNAZVOCLBT-FQEVSTJZSA-N 455.992 5.202 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc2n1Cc1ccc(Br)cc1 8812481 OQXSAKCQMXVAGV-MZJWZYIUSA-N 464.338 5.664 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cc(F)ccc1C 9187458 FCRSCCOLJFBXGD-XDHOZWIPSA-N 470.504 5.491 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(Br)c1OC 15981885 HLCUYMAMSLREKP-QDEBKDIKSA-N 456.123 5.319 50 40 JKGB CCc1cccc(OCC(=O)N/N=C\c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)c1 31858891 XAGIBBDWEOAXJN-MUXKCCDJSA-N 487.383 5.673 50 40 JKGB CN(C)C(=O)/C(C#N)=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 59333644 POVSLALFIHTWKR-HAVVHWLPSA-N 451.957 6.460 50 40 JKGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 59333905 WQXRXJNZWHXYIA-AUWJEWJLSA-N 454.151 5.330 50 40 JKGB CCCCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(CCCl)cc1 98001585 SSKPVGHWEYBXRL-UHFFFAOYSA-N 472.179 8.008 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Br)c(Cl)c1 107800544 DJVHTVOSTPSCLV-MFOYZWKCSA-N 456.727 6.482 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)c1C 107895451 UVBAOCIOBHGQIM-UNOMPAQXSA-N 477.923 5.659 50 40 JKGB CC(=O)Oc1ccc(-c2coc3cc(O[Si](C)(C)C(C)(C)C)cc(OC(C)=O)c3c2=O)cc1 204382054 IECOGDOVGZBVFU-UHFFFAOYSA-N 468.578 5.695 50 40 JKGB in-vitro C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OCC)c1OCc1ccc(F)cc1 408542819 NZTKHQUCBHBYAW-IWIPYMOSSA-N 457.501 6.294 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccccc1F 408544882 YFUGUBQHROGYPX-JAIQZWGSSA-N 496.332 6.328 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OC(C)C 408550869 KKYHRWHHZUYLDF-JMIUGGIZSA-N 469.322 6.304 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1OC 408582700 PDNHDJRCQIEINX-OEAKJJBVSA-N 455.941 7.154 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Br)c1OCc1ccc(C)cc1 408583829 XEAHVNZFQGNQCF-LPYMAVHISA-N 478.386 6.808 50 40 JKGB O=C(N/N=C/c1ccc(O)cc1O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 408732247 PYIKHYBIRIWIQE-AJBULDERSA-N 473.532 5.986 50 40 JKGB O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1ccc(F)cc1 408739704 DTEHITHIVFBXBM-RUMWWMSVSA-N 459.524 6.714 50 40 JKGB N#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br 408744585 GCPVNAQNLJIKEN-GHXNOFRVSA-N 495.558 5.313 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccccc1 408745392 RJLHNGMIDHYMFW-UYRXBGFRSA-N 463.331 5.582 50 40 JKGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)c1cccc2ccccc12 408761952 IDVGFMJOKBKJGT-VUTHCHCSSA-N 480.545 5.525 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2ccc(C)cc2C)cc1 408788777 GUWKTHQFYTYGQC-RDRPBHBLSA-N 485.609 5.111 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408795566 MAFUNXWCMMCEQS-SRZZPIQSSA-N 490.943 5.788 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Cc1cccc(F)c1)C(=O)Nc1ccccc1F 408867950 LSXCIICDTUYNMZ-LDADJPATSA-N 453.286 5.864 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cc(C)cc(C)c2)cc1 408884538 UMCALTNMNNPHLJ-LPYMAVHISA-N 474.944 5.868 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1 408888625 YAKSRVWUDUVNKP-LDADJPATSA-N 491.887 5.330 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Br)c3)cc2Cl)cc1 408889593 HJISIUAOYFSAFA-DHRITJCHSA-N 487.737 5.094 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cc(C)cc(C)c1 408890562 VQTSVRBSWSWRKB-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1ccc(Cl)cc1 408891304 OHXHLJSYTWMFCN-DEDYPNTBSA-N 476.916 5.562 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1)c1nc2ccccc2o1 409074134 YDKRMBGTDJTPPX-XNTDXEJSSA-N 471.321 5.966 50 40 JKGB Cc1ccc(COc2c(Cl)cc([C@@H]3C(C#N)=C(N)N(C)C4=C3C(=O)CCC4)cc2Cl)cc1 409126483 ONUWTOLPPITNTR-JOCHJYFZSA-N 468.384 5.611 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1OCc1ccc(C(=O)O)cc1 409186739 HGNZUKWXDPTCRQ-RPPGKUMJSA-N 473.312 5.043 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1 409208893 ASNNARYSERHCEA-DHRITJCHSA-N 489.822 5.924 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)c1C 409226111 SDYZUUOIIWHHSN-XSFVSMFZSA-N 459.933 5.520 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(Cl)c2)cc1OCC 409314936 TYGPYKYPKJPHRS-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(Br)c2)cc1OC 409316858 NKBKEZNCDBWZJT-YUMHPJSZSA-N 495.373 5.365 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 409390613 GEYLZFRXFOGIOR-UCQKPKSFSA-N 458.489 6.504 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1 1791333 VERQXXGDOUFOEO-OQKWZONESA-N 466.541 5.535 50 40 JKGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Cl)c3)nnc2-c2ccccc2)cc1 2330003 FQVKSRCEIHIXCZ-JVWAILMASA-N 492.004 5.229 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Cl)c1OC(=O)c1ccc(OC)cc1 2726785 DNCOVHNEFSKWDC-MZJWZYIUSA-N 487.339 5.384 50 40 JKGB CCOc1ccc([C@@H](Br)[C@H](Br)C(=O)c2ccccc2[N+](=O)[O-])cc1OC 3119108 RPBSTZJXHAKOBN-SJORKVTESA-N 487.144 5.085 50 40 JKGB N#C/C(=C\c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)C(=O)Nc1ccccc1F 3306649 SECOERWWFWTCEP-ZBJSNUHESA-N 457.508 6.982 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@H]2c1ccc(C(C)(C)C)s1 3663342 QXBZDYZLYYOYIS-QFIPXVFZSA-N 499.602 7.005 50 40 JKGB O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)c1ccc(F)cc1 8812299 XNVAEJKBLVYQQC-KBKYJPHKSA-N 451.712 6.129 50 40 JKGB COc1cc(C)c(/C=N/NC(=O)c2cc(Br)c(OC)c(Br)c2)cc1C(C)C 8842959 HXXMSNIWIDQXQF-AUEPDCJTSA-N 498.215 5.425 50 40 JKGB O=C(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1cccc(OCc2ccccc2)c1 9232787 GVDBGPDCFFRLGL-LQKURTRISA-N 484.383 5.832 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(CC)cc3)cs2)sc(C(C)=O)c1C 9470647 VAIXMTWEDMESFD-PDGQHHTCSA-N 465.600 6.098 50 40 JKGB C[C@H]1C/C(=N\NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CC(C)(C)C1 12616992 BOOYDRRVDPILMU-CDTGLVORSA-N 492.439 5.182 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OC(=O)c1ccco1 15906686 DYJZLLWCPZKMHK-UXHLAJHPSA-N 491.503 5.487 50 40 JKGB COc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc(OC)c2OC)N3)cc1 36080571 ULRSRNSFLPDFHA-ZCYXBXNWSA-N 497.595 5.693 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)c2C)cc1 59427397 DFDZXDDBBXRCTO-LGJNPRDNSA-N 458.345 5.342 50 40 JKGB CCc1ccc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(C)cc2)c2ccccc23)cc1 67225332 HHOLJJIJWCOTMR-RUZDIDTESA-N 483.593 5.084 50 40 JKGB FC(F)(F)C(F)(F)C[C@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103528816 XKABHVVVNXLIEE-REOHCLBHSA-N 491.988 5.846 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 107608741 VEPOKCQMTFOZQT-ATVHPVEESA-N 479.895 5.051 50 40 JKGB FC(F)(F)C[C@H](I)CCC[C@@H](I)CC(F)(F)F 169795283 WZCXGZJXUWLHSG-RNFRBKRXSA-N 487.991 5.669 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 408581572 XYKUUMPOWGVAHU-WOJGMQOQSA-N 474.365 6.142 50 40 JKGB CCOc1ccc(CC(=O)N/N=C\c2cc(C)n(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 408711636 CIECBJKCVCZKAX-FSGOGVSDSA-N 496.567 5.761 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccc(C)cc3)n2)c1O 408724114 FOGDAFMMCNFPQJ-UXHLAJHPSA-N 476.536 5.479 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Br)c2)c1 408742976 DCQCGDVGWPBMMA-NDENLUEZSA-N 491.341 5.580 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)Nc1ccccc1 408787441 ADHLLCURSZNMLN-UDWIEESQSA-N 458.315 5.445 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408788125 ILJTYJFLQKBJFP-GZTJUZNOSA-N 468.296 6.026 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 408817421 VWJDDFNSMAWDTL-UKTHLTGXSA-N 486.709 6.125 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)c(OC)c1 408838755 HYFXBVQMYKOUNL-MZJWZYIUSA-N 493.972 5.588 50 40 JKGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)o1 408846152 QVDVQQNLTKCAJI-DHRITJCHSA-N 465.966 5.630 50 40 JKGB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccc(O)cc4O)cc3)sc2c1 408848035 WQGXHMYZXVJGEX-RPPGKUMJSA-N 479.945 5.291 50 40 JKGB N#C/C(=C\c1c(Cc2ccccc2Br)ccc2ccccc12)C(=O)Nc1ccc(F)cc1 408866539 GEWCEEWRGPEXHB-LTGZKZEYSA-N 485.356 6.878 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccccc1F 408872025 JFLWGBJEZFOGGS-CXUHLZMHSA-N 475.734 6.911 50 40 JKGB COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)ccc2OC)cc1 408888275 YJKZGIMRSZOIMO-CPNJWEJPSA-N 476.916 5.431 50 40 JKGB COc1cccc(/C=N/NC(=O)COc2c(C)cccc2C)c1OCc1ccc(Cl)c(Cl)c1 408909049 BSHOUTUVOIJXFG-XODNFHPESA-N 487.383 5.727 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 409074220 LAVDJHAXBUBGJO-PCLIKHOPSA-N 496.563 5.945 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)NC1CCCC1 409189042 HQJBFWBJHILABU-NDENLUEZSA-N 465.380 6.691 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccc(F)cc1 409190564 SHBLFKDPRKUHCI-RWPZCVJISA-N 452.913 5.559 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)c1ccc(I)cc1 409367949 PFSJXTDBHDHHKP-BKUYFWCQSA-N 462.290 5.806 50 40 JKGB COc1cc([C@@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1c(F)cccc1Cl 409373317 UFUQFXXDCXWSSC-FQEVSTJZSA-N 459.974 5.409 50 40 JKGB Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccccc3)c2-c2ccccc2)cc1 2057326 WIEUDGHUJUWOKE-WEMUVCOSSA-N 455.561 6.884 50 40 JKGB O=C(N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1)c1ccc(Cl)cc1Cl 3087913 HDUWWWIDVQYOJO-LSFURLLWSA-N 493.353 6.019 50 40 JKGB Cc1ccc(C(=O)[C@H]2C[C@@H](Br)[C@@H](Br)C[C@H]2C(=O)c2ccc(C)cc2)cc1 5085540 XZYYQGVVCUOYTR-JVSBHGNQSA-N 478.224 5.922 50 40 JKGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cccc(Br)c2)cc1 8384638 PWGCAEOIJMRJOT-CVKSISIWSA-N 459.347 5.374 50 40 JKGB CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C(\C)c2ccc(C)cc2)cc1 8427234 BTWPDXJYEABCLZ-POWGZYSVSA-N 468.601 5.153 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3[nH]2)cc1Cl 9462276 PTTWCAJYBGOUKY-PGMHBOJBSA-N 493.998 7.312 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(I)cc1 10118499 KUTPMBVPWNBZSU-ZMOGYAJESA-N 490.728 5.288 50 40 JKGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccccc2-c2ccccc2)cc1 13140411 JGTZCEUJIACVTN-MTDXEUNCSA-N 451.482 5.605 50 40 JKGB CC(/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)=C\c1ccccc1 13661345 VRCZAKPAXLMYRI-UGADMOPASA-N 489.000 5.337 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)N1 19831333 JPKAVCUIYJFFSW-SANMLTNESA-N 498.608 5.603 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccccc2)c(C)n1-c1cccc(Br)c1 28215811 LFJNMGOJVNZDDR-ZMOGYAJESA-N 456.409 5.240 50 40 JKGB N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1ccccc1F 33437776 ZONQTQLCNJQIEE-YVLHZVERSA-N 487.166 6.994 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccccc1 33747448 XXYYPLMVIVMLGN-SFQUDFHCSA-N 494.320 5.151 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc2ccccc2c1 33828876 QNYJUVPZUFTDJZ-ZVHZXABRSA-N 482.967 6.935 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OCc1ccccc1 40961749 CWZPBWMSUMKGIT-DHRITJCHSA-N 489.822 5.924 50 40 JKGB N#CC(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)/C(O)=N/c1nc2ccccc2s1 41108911 JPMDUCLEITUYRO-FOWTUZBSSA-N 480.376 7.377 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 59383039 VJZRXSBTYAOFOA-LQKURTRISA-N 460.986 6.315 50 40 JKGB CCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103527913 SYXCFWUSKUHRHX-LURJTMIESA-N 480.099 6.474 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c1 107685986 YXEVHKWPRYDNEC-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1ccc([N+](=O)[O-])cc1 408555086 VJXQFAHELPHZOH-GZTJUZNOSA-N 468.296 5.983 50 40 JKGB Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1cccc(I)c1 408566299 FQIWLWKMGHPRLC-SXGWCWSVSA-N 482.300 5.778 50 40 JKGB O=C(NNc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 408611849 XAVOSIFOENDAFN-QGZVFWFLSA-N 470.356 5.069 50 40 JKGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1 408730965 IBUBTEMEGFQNPO-GZZLJNBRSA-N 484.603 6.641 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc(I)c1 408755173 MSSFVPCZWYXPNG-CPNJWEJPSA-N 480.305 5.416 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(I)cc3)c2C)c1 408768895 LEJXKUIQRVCNDZ-PDGQHHTCSA-N 497.336 5.253 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1C 408791592 ZEODUCDQAJOUQJ-CIAFOILYSA-N 460.917 5.780 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1ccccc1C#N 408802405 DTVMQISQWPZINM-LPYMAVHISA-N 471.944 6.043 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(Br)c1OCc1ccccc1 408810190 JBWHIMZKXHXAGY-WSMCSGFASA-N 483.406 5.639 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)cc1 408841007 FBNOZMNCGAXSHZ-UVHMKAGCSA-N 498.391 6.233 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1Br 408882848 SKDICVLJWOJHMP-CPNJWEJPSA-N 481.777 6.536 50 40 JKGB N#C/C(=C\c1c(OCc2cccc(F)c2)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 408897136 WAEMMIGKOPPYOH-CPNJWEJPSA-N 491.349 7.410 50 40 JKGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)c2C)c1 408904650 MQWAGLWUQSJWOK-ZMFRSBBQSA-N 497.393 5.416 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1O[C@H](C)CC 408961235 BPHJMKQLCZSZOO-LFWZTCNZSA-N 459.886 5.334 50 40 JKGB Cc1cccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c2)c1C 409265113 MREJZFDJYYCQKZ-NDENLUEZSA-N 459.933 5.520 50 40 JKGB COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409391276 IVIYJOFRACYJHH-FSGOGVSDSA-N 495.535 5.465 50 40 JKGB N#CC1=C(N)OC2=C(COC/C2=C\c2ccccc2C(F)(F)F)[C@@H]1c1ccccc1C(F)(F)F 663773 VHXTZPWSCWJXBK-CBHXRGPZSA-N 478.392 5.900 50 40 JKGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccccc1Cl 1832058 VJGUSNCNCVRPMW-WYMPLXKRSA-N 485.059 5.879 50 40 JKGB CC[C@@H](Nc1cccc(C)c1)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 2110806 WXOCVUQFVXUIIV-PVPASAESSA-N 480.406 5.677 50 40 JKGB Cc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1ccccc1 2162773 MAJANBCCUWTIHH-STBIYBPSSA-N 451.595 6.047 50 40 JKGB Cc1ccc(NN(C(=O)C(O)(c2cccc(C)c2)c2cccc(C)c2)c2ccc(C)cc2)cc1 2208806 XHLYPPYIHGKKKW-UHFFFAOYSA-N 450.582 6.216 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3)nc3c(C)cccn3c2=O)cc1 2414415 VJJOJNBSINYXCK-CAPFRKAQSA-N 480.524 5.048 50 40 JKGB CCn1c2ccccc2c2cc(N/C=C(\C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)ccc21 9007831 VCDBWYYHRFYHIC-OBGWFSINSA-N 465.538 6.823 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)cc1 9262045 DBCKPQBBOVNOLH-STKMKYKTSA-N 469.588 7.192 50 40 JKGB CCCCCCC(O)(CCCCCC)C(=O)NN(c1ccccc1)S(=O)(=O)c1ccccc1 12419719 RPODELZUOHWPHR-UHFFFAOYSA-N 474.667 5.585 50 40 JKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)o2)cc1[N+](=O)[O-] 14151723 SUNNSUFAMOMOJI-MHWRWJLKSA-N 458.499 5.521 50 40 JKGB O=C/C(=C/Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1nc2ccccc2o1 16545250 OYLIIBCXXJVQSZ-SQFISAMPSA-N 498.358 5.043 50 40 JKGB O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCCCCCC1 19951317 CBXULRGNAJBINC-UHFFFAOYSA-N 470.639 5.054 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 20197856 PFSQULZRQNMZRD-JFLMPSFJSA-N 457.357 6.125 50 40 JKGB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1 20347798 YFLACLGIBABMRR-RUZDIDTESA-N 485.565 5.091 50 40 JKGB Cc1cccc(CN2c3ccccc3C3=C([C@H](c4ccccc4Cl)C(C#N)=C(N)O3)S2(=O)=O)c1 20558647 MPQHCCGFGCYBLG-HSZRJFAPSA-N 489.984 5.175 50 40 JKGB N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@H]1c1c(F)cccc1Cl 38680478 QVPJWWVCKHWJCL-XMMPIXPASA-N 470.887 6.070 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 57315310 ZZOBZXXQXUFFIS-OGLMXYFKSA-N 467.400 5.080 50 40 JKGB N#CC1=C(N)N(c2ccc(C(F)(F)F)cc2)C2=CCCCC[C@@H]2C1(C(F)(F)F)C(F)(F)F 100229689 PHFACQHXQAEKEJ-ZDUSSCGKSA-N 469.351 6.404 50 40 JKGB CC(C)(C)[Si](C)(C)OCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 169748453 TUJSLKMCHKRUKP-UHFFFAOYSA-N 468.717 7.288 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1Cl 408581234 HSYGNFJOEWPHHM-UDWIEESQSA-N 454.353 7.044 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1Cl 408725124 HHBSSKGTUVEBBT-JAIQZWGSSA-N 481.379 6.744 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])cc2-c2cccc3ccccc23)c1 408725957 RAUABHGWAJGYHB-RDRPBHBLSA-N 475.508 5.673 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)c1 408755166 MQWKEFRDPWRPIZ-NDENLUEZSA-N 492.373 5.579 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1C#N 408789777 LHBHHNORSWGBGZ-VXLYETTFSA-N 478.335 5.998 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408792756 BZWZJHJZYAPVLM-FYJGNVAPSA-N 495.406 7.079 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408798891 GIEZAJMQEWZFHN-KGENOOAVSA-N 487.386 7.580 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1ccc(Cl)cc1 408802518 YLNJGURSEYZBDN-IOQNOCSLSA-N 452.982 5.920 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OC(C)C 408807263 GQZLTBNHCFTJQV-WOJGMQOQSA-N 457.368 5.743 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OCC 408831090 PJYDRJTTWJSCIL-JJIBRWJFSA-N 470.569 6.307 50 40 JKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)c1 408877063 PEYRRLAFFMFMRB-CIAFOILYSA-N 479.805 6.856 50 40 JKGB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1 408890937 IQJMHRGXLDVIIU-BRJLIKDPSA-N 455.257 5.329 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)c1ccc2ccccc2c1 408892537 BWOADKZSWLCUQE-RWPZCVJISA-N 463.320 6.130 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1 408894554 IPBYXYVZMJNARE-CPNJWEJPSA-N 466.946 5.270 50 40 JKGB CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cccc(I)c2)c1C 408959902 HVMZNQPKTZDSIL-AFUMVMLFSA-N 485.369 5.333 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(I)c2)c(C)n1-c1ccc2ncccc2c1 408965535 IJFPDVBJVRXCTI-VULFUBBASA-N 494.336 5.011 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(OC)c1OCc1ccccc1C#N 409023623 JDCUAVLKNXPPLD-ACXHZZMFSA-N 499.954 6.038 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1Cl 409071850 QBYBNBPARBNYJL-DTQAZKPQSA-N 473.337 5.307 50 40 JKGB CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C2=C1CCCC2=O 409138315 ZVDRTHGERBRLDM-JOCHJYFZSA-N 454.357 5.302 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(Sc2ccc(C)cc2)cc1 409238994 YECFYTCKTSYDNM-ZVHZXABRSA-N 455.377 5.681 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(OC)c(OC)c2)ccc1OCc1ccccc1Cl 409361593 HQHDKRGSRMDTLY-NTFVMDSBSA-N 482.964 5.028 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc(C)c1C 2322498 JVVGZHIKNKEMJD-RVDMUPIBSA-N 465.487 5.256 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)sc(C(=O)OC)c1C 2392446 DYQWCYMXJKLKIL-BOPFTXTBSA-N 481.599 5.737 50 40 JKGB O=C(N/N=C/c1ccccc1OC(F)F)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3201039 KHEYFKFTJHITBV-CCVNUDIWSA-N 451.860 5.921 50 40 JKGB N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1nc(-c2ccc(Br)cc2)cs1 4528461 LREXMBMAEWRXNL-WLRTZDKTSA-N 456.277 5.274 50 40 JKGB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(O)cc1 6149277 IFMUQIYFGFHKPB-LFIBNONCSA-N 452.919 5.496 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(/N=N/c3cccc(Br)c3)ccc2O)cc1Cl 8722564 CVTSRVXEJKWQTR-AOBXHLCMSA-N 471.742 6.296 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ncc(Cc2ccccc2)s1 8763841 SYPRDCSFVDNCIS-HZHRSRAPSA-N 451.551 5.859 50 40 JKGB N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@@H]1c1ccc(Cl)cc1 9693227 LBUNVULVHDEETJ-QGZVFWFLSA-N 460.784 5.322 50 40 JKGB CCc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(Br)c4)CC(=O)N3C2)cc1 9693432 ONVLCWBGCOXKEG-IBGZPJMESA-N 454.393 5.231 50 40 JKGB Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@H](c3c(Cl)cccc3Cl)CC(=O)N2C1 12251063 PYMRRUAIOQUMRJ-CYBMUJFWSA-N 464.805 6.175 50 40 JKGB CCCC(CCC)=NNC(=O)CNc1c(Br)cc(Br)cc1Br 12419196 SRIMCAKUYZLKJV-UHFFFAOYSA-N 498.057 5.458 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc2ccccc2c1 12467176 ODWOKCRECOCZEC-MFKUBSTISA-N 499.086 6.270 50 40 JKGB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 16436994 SGZOBEVAFFCPOJ-VZUCSPMQSA-N 456.123 5.319 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c(C)n1-c1ccc(Br)cc1 28216761 QQKLGPQGPAJCDW-VBYICHLGSA-N 470.436 5.629 50 40 JKGB O=C(COc1ccccc1/C=N\NC(=O)c1cccc2ccccc12)Nc1ccc(Cl)c(Cl)c1 33571811 PHDPKMZPFAQGFC-FDVSRXAVSA-N 492.362 5.928 50 40 JKGB N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 34799087 FXUZWMRYKPTCJO-JSIHEXFSSA-N 477.948 5.544 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 58871437 AYPZRSHLHUXNSA-VULFUBBASA-N 487.781 5.383 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)c(C)c1 59201742 PUWZBRDDRODLMK-UDWIEESQSA-N 495.804 6.844 50 40 JKGB CCCCCC(=O)Nc1nnc(SSc2nnc(NC(=O)CCCCC)s2)s1 59387002 GESVWOGWWPXDGK-UHFFFAOYSA-N 460.676 5.227 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 59435240 NBQPFVKAAHHADT-LQKURTRISA-N 467.550 5.802 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1ccc(F)cc1 59921824 KEWCBJRCQDKDBP-VULFUBBASA-N 471.326 5.330 50 40 JKGB CC(C)(C)c1cc(/C=N\NC(=O)CP(=O)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O 97965552 BZBQICUUBRRMFS-FSGOGVSDSA-N 490.584 5.451 50 40 JKGB CCOC(=O)/C(C#N)=C(\Nc1ccc(OC)cc1)S/C(=C/C=C(C#N)C#N)c1ccccc1 100955274 OJVKPZIDIKMXOD-WSBZWDBJSA-N 456.527 5.153 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(O)CCCC3=N2)cc1 104077650 NJVQPUOLMHSCSN-HSZRJFAPSA-N 463.990 6.290 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc(C)c1 108071883 KTEIDZXWJOLQMR-JMIUGGIZSA-N 479.330 6.318 50 40 JKGB Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(OCc4cccc5ccccc45)c(Br)c3)nc2c1 108975471 JBBSCJSTUVDARS-HMAPJEAMSA-N 494.392 7.430 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OC)c1OCc1ccc(Cl)cc1 408542413 JGCVZGFEGARMFW-UCQKPKSFSA-N 459.929 6.418 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1ccc(N2CCCC2)cc1 408676691 MKBSGGDXHZATCV-WKULSOCRSA-N 486.374 6.076 50 40 JKGB CCOc1ccc(CC(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 408711979 TXGQJYLMODVORA-DICXZTSXSA-N 457.357 5.664 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCc1ccccc1 408735507 TVAPZJPHBAVVKQ-VCHYOVAHSA-N 497.776 6.236 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c(Cl)c1 408739625 DJHWWODWXXTLFC-MZJWZYIUSA-N 461.905 5.470 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cc(Cl)ccc1Cl 408745843 ALDFXETVDVBYPF-YBEGLDIGSA-N 489.200 6.709 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OCC 408756755 TVPFGAOZGMHFCW-LSHDLFTRSA-N 460.155 5.317 50 40 JKGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)c1cccc(Cl)c1 408756804 XOCJWCSWJXELCQ-WGOQTCKBSA-N 464.930 5.025 50 40 JKGB COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl 408794326 IUNRHSYNSYHZGI-NYYWCZLTSA-N 474.127 5.398 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(C)c(C)c3)ccc3ccccc23)cc1 408805039 CNCQMKTZIWXQKD-NLRVBDNBSA-N 460.577 7.144 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)ccc1OCc1cccc2ccccc12 408805611 HGMMCUXATJLYDA-KOEQRZSOSA-N 492.575 6.680 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C 408814395 VODWKSVOTYFMOI-XDHOZWIPSA-N 475.017 6.414 50 40 JKGB N#C/C(=C/c1cc(Br)c(I)o1)c1ccc(Cl)cc1Cl 408853546 PFMUPHKEFBTQTH-CLTKARDFSA-N 468.903 6.018 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1cccc(C)c1 408853796 SFPGXPBZFSIJNF-YBFXNURJSA-N 495.348 6.030 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1Cc1ccccc1Br 408874281 AVPGXALENRPMSO-XDHOZWIPSA-N 495.804 6.638 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 408876712 QHUDLSSIJCURAF-HAVVHWLPSA-N 477.520 6.435 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(OCC)c2)cc1 408878793 BSQLGXHDFFTPDF-HZHRSRAPSA-N 488.971 6.052 50 40 JKGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408879115 BPXWTIOEZHKBAH-ZIDAUMNRSA-N 454.401 6.273 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Br)cc1 408886051 HJXLZDFFTHUDNY-HMMYKYKNSA-N 477.358 5.972 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)c2C)cc1 408887344 PVFYWRMYEURFCJ-RQZCQDPDSA-N 469.328 6.163 50 40 JKGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408890885 HYBBVTHYNZTNQR-XYOKQWHBSA-N 458.257 5.716 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3Br)c2C)cc1Cl 408981932 FAFPXMDWDVMAOW-WQRHYEAKSA-N 468.782 6.364 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1cccc(C)c1 408985709 XXTIGTWJKYVWRZ-CIAFOILYSA-N 495.406 7.134 50 40 JKGB CC(C)Oc1ccc(Br)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 409031060 ISZLTJUDVDQYPE-LQKURTRISA-N 488.385 6.215 50 40 JKGB N#C/C(=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1 409082700 MUPAXJWZFJLURS-RVDMUPIBSA-N 487.821 6.605 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1cccc2ccccc12 409109001 ZJVULPISIJTDGT-LJAQVGFWSA-N 492.531 5.764 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409223770 HLGMDJJSUYGDGG-QGOAFFKASA-N 493.922 5.441 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 409235060 YMCAJAOCUQRDNK-IVKFTBJLSA-N 493.582 6.597 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)NCCCc2ccccc2)c2ccccc2n1Cc1ccccc1F 409243695 XRCBTOWUWVSEHW-MOHJPFBDSA-N 451.545 5.793 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1 409256323 NQJDSVFVEXQPBS-ODLFYWEKSA-N 494.378 6.173 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1OC 409321461 GQLJUWXFUZDOBS-NTFVMDSBSA-N 480.948 5.265 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cccc(OCc3ccccc3F)c2)ccc1OCc1ccccc1 409324329 SGVABCAEZQGGOO-MZFJOGFUSA-N 498.554 6.146 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 409352946 FRKQVVXNLQJRON-RWPZCVJISA-N 482.496 5.162 50 40 JKGB CCOc1cc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(Cl)cc1Cl 409373559 XMMICFROZSDEJP-NRFANRHFSA-N 474.388 6.149 50 40 JKGB COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1ccc(Cl)cc1 409389802 ANXSCMZFYFOYKM-DXJNIWACSA-N 484.983 6.210 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)c1cccc(F)c1 409393352 QMOVDEZJLQIAHQ-IUXPMGMMSA-N 460.705 7.024 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)c(OC)c1C 2090146 AYTGWLWQPWJOTE-IPPBACCNSA-N 494.378 6.298 50 40 JKGB N#C/C(C(=O)Nc1cc(Cl)ccc1Cl)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 2318167 XBMQIUXEBAQTLC-AEPTXUNZSA-N 494.403 6.058 50 40 JKGB O=P(C(=S)Nc1c(F)cc(Br)cc1F)(c1ccccc1)c1ccccc1 2561310 RJLMFQJLUYQGEH-UHFFFAOYSA-N 452.260 5.438 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1 8429896 GSLSQFVPXPAOSC-AREMUKBSSA-N 480.593 5.393 50 40 JKGB O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cc(Cl)cc(Br)c1O 9762113 RDVKMPWKQYCJLZ-AUEPDCJTSA-N 496.586 5.417 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 12197181 FBXQPZCKDZMLML-FMIVXFBMSA-N 461.783 6.073 50 40 JKGB N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 14151999 WSFVLCGIYBOLCP-SDNWHVSQSA-N 465.987 6.442 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 16214675 GOAOPZJWHHITKR-WOJGMQOQSA-N 497.429 5.747 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl 27832443 KHLKXCRRMAKJGG-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CSCc2ccccc2Br)c1C 28216083 TUBQUKRPMKPALV-DHRITJCHSA-N 470.436 5.549 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(I)cc4)cc3)[nH]c2c1 33792862 NGAYTVOCKRLOGF-UYRXBGFRSA-N 491.332 6.119 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1cccc(C(F)(F)F)c1 34196671 VNHXDIWIBDUXPY-RPPGKUMJSA-N 464.285 5.639 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 34836775 CEFSSPFHNITIAS-GZTJUZNOSA-N 480.914 6.872 50 40 JKGB Fc1ccc(CP(Br)(Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1 95612001 UCPPVUKOFBEZTM-UHFFFAOYSA-N 465.346 7.040 50 40 JKGB O=C(c1ccc(OC(F)F)cc1)[C@H](Br)[C@@H](Br)c1ccc([N+](=O)[O-])cc1 98042971 MGBFLOWZOCIWBB-UONOGXRCSA-N 479.071 5.279 50 40 JKGB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\Nc1cc(C)c(SC#N)cc1C 100958943 SCOFKCJLJQNVDR-YVLHZVERSA-N 488.354 5.200 50 40 JKGB C[C@@H](CN(CCCl)CCCl)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118931087 DHZBGBCMBFYMHO-LZTGCNOFSA-N 456.542 6.342 50 40 JKGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2[C@H](C)CC1(C)C 208329310 HHQXLQGWIZOFOX-HPKGMJOESA-N 466.423 6.415 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)c1ccc(Cl)cc1Cl 408579879 KZVYWPIDPPOKKA-LICLKQGHSA-N 459.170 7.399 50 40 JKGB O=C(NNc1ccccc1OCc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccccc2)C1 408608397 PKFBAQNRPQOEOL-KRWDZBQOSA-N 470.356 5.069 50 40 JKGB COc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)ccc1OCc1ccc(Cl)cc1Cl 408718751 FCIIGKDETAEHNI-WYVNXSQFSA-N 461.389 5.857 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1C#N 408745246 KUOFSBRWTQDQNU-GRSHGNNSSA-N 478.335 5.998 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408791611 ZMGPNGGUFLPVLG-LICLKQGHSA-N 479.876 5.087 50 40 JKGB CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br 408793316 OJCBIRWJFMCSKJ-NTUHNPAUSA-N 484.177 6.099 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 408886103 IAKLDCRZXRPCDT-XMHGGMMESA-N 487.342 6.911 50 40 JKGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)c(Br)c1 408888205 TWPXEJSXTGNQOP-KPKJPENVSA-N 454.549 5.719 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1 408889506 DIAGQTRRVWDIQN-HAVVHWLPSA-N 450.513 6.666 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Cl)c2)c1C 409071070 IHBFODJBQOGUTH-CPNJWEJPSA-N 466.946 5.270 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Cl)c1OCc1ccc(F)cc1 409098923 RJOIYPQDRXHLIO-HSZRJFAPSA-N 480.879 5.014 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1 409267589 OILOWASFKCNQEM-ZMFRSBBQSA-N 456.329 5.083 50 40 JKGB CCCOc1ccc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)cc1Br 409337038 VXXKSPWRKMOYCS-IWIPYMOSSA-N 463.372 5.189 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)cc1OC 1814332 DEEXGKHQMSKHSS-SDNWHVSQSA-N 499.470 5.929 50 40 JKGB N#CC(=C1SC(c2ccccc2)=C(c2ccccc2)S1)c1nc(-c2ccc(Cl)cc2)cs1 3176312 XYWCKGRLBKLTJL-UHFFFAOYSA-N 487.074 8.662 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc4ccccc34)cs2)sc(C)c1C 9453931 AFKFVOCWVDNJRM-AQTBWJFISA-N 459.596 6.795 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C2=C(CCCC2=O)N1 13174273 DGRRJOQTMKQCRJ-OAQYLSRUSA-N 453.951 5.042 50 40 JKGB COCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1 13801736 WIGCZHHOUVSVEB-HKOYGPOVSA-N 486.616 5.332 50 40 JKGB CCCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)OCc2ccccc2)=C(C)N1 20171422 BMKFXRSSTIKXLF-DEOSSOPVSA-N 497.016 5.466 50 40 JKGB Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 20348096 NYFMPDGNIDLECG-HSZRJFAPSA-N 498.435 6.103 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1C 27019827 BWJATXWCHCKBCQ-UQQQWYQISA-N 469.566 5.585 50 40 JKGB CCOC(=O)c1ccccc1-n1c(C)cc(/C=C(\C#N)Sc2nc3ccccc3s2)c1C 33792258 RINPCTXMUTWRPT-XMHGGMMESA-N 459.596 6.537 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CC3(C)SCCS3)c2C)cc1Br 34855958 SQANCOMDELDUDD-WSDLNYQXSA-N 466.470 5.201 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OCc1ccccc1Cl 35419518 INEZGOWHSDOSML-XKZIYDEJSA-N 460.961 6.399 50 40 JKGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(OCc2ccc(Br)cc2)cc1 58871241 VWDAJFORUPSMAA-UVHMKAGCSA-N 477.280 5.811 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1C 59291924 AUJAXCFTVHFWJA-UDWIEESQSA-N 495.804 6.844 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 59297133 FXVJLALHDHKKIA-PXLXIMEGSA-N 468.940 6.626 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1F 59536667 DJEWKTDAOKWFLS-ZDLGFXPLSA-N 483.293 6.148 50 40 JKGB COc1ccc(-c2ccc(/C=N\NC(=O)COc3cc(Cl)ccc3Cl)o2)cc1Cl 67197054 HCVIDCMLTCCFMJ-VROXFSQNSA-N 453.709 5.445 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc1Cl 96444142 FSCPPZGKYIERMD-WQRHYEAKSA-N 467.308 5.816 50 40 JKGB O=C(N/N=C\c1cccs1)c1cc(-c2ccc(/N=C\c3cccs3)cc2)nc2ccccc12 100735324 QGZLACFZPOOXRR-KYGWZODQSA-N 466.591 6.539 50 40 JKGB CC[C@@H](C)NP(=O)(NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C)N[C@H](C)CC 102939979 MPCIYRGRNDHEQH-HUUCEWRRSA-N 483.391 5.471 50 40 JKGB ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@@H]([C@@H]4C[C@@H]3C[C@H]4I)[C@@]1(Cl)C2(Cl)Cl 103903029 NLGITZRGNAIORZ-RBSKTQHPSA-N 492.826 5.908 50 40 JKGB IP(c1ccccc1)(c1ccccc1)(c1ccccc1)N1[C@@H]2CCCC[C@H]21 104127995 XQHRMWPGGYIBNV-DNQXCXABSA-N 485.349 5.408 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)c1 108069427 YMISUJUHXCHEPC-KKMKTNMSSA-N 493.774 6.007 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2sc3c(c2C(=O)O)CCCC3)c1C 108949970 GUZGCWWPQMCYCH-PDGQHHTCSA-N 494.016 6.240 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1 408580296 NZQLBCBLGPYVEG-YBFXNURJSA-N 454.751 6.754 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408726420 RLXMLIHJMRRSQL-WQRHYEAKSA-N 463.877 5.381 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1cccc2ccccc12 408734150 DQOVQIAHUSQVKM-HZHRSRAPSA-N 482.967 7.017 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1 408762378 OJBFMZIKHHAVDT-GZTJUZNOSA-N 496.350 5.565 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408787954 BIHALXSHPYAEAK-UYRXBGFRSA-N 461.449 5.257 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1 408790062 MWCDPGRHYRICBQ-RGVLZGJSSA-N 495.362 6.379 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl 408796010 NYEFGBZJIBTFRE-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(I)cc1)C(=O)Nc1ccccc1F 408820450 XUFBUNRAKPYPFG-AQTBWJFISA-N 498.295 5.555 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)NCc2ccccc2)c1Cl 408822839 MNIRFHYHPBLCAU-LFIBNONCSA-N 484.339 5.730 50 40 JKGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1 408834909 WFIGQSSRTTYZFN-LTGZKZEYSA-N 487.353 5.586 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1Cc1cccc(F)c1 408885008 WQCZZFZHSIFVOM-YZSQISJMSA-N 492.550 6.550 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccccc1F 408897426 SAYKMPUQGXCSJD-LICLKQGHSA-N 499.311 5.861 50 40 JKGB O=C(N/N=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cc2ccccc2o1 408933303 AKPSZQUZFLYNPL-MWLSYYOVSA-N 454.913 6.582 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(Br)cc1OCc1ccc(C)cc1 408963683 AGUVNZZTSOQLIZ-XODNFHPESA-N 496.336 5.120 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1 408983128 KTZJIHADKJOUCW-ODLFYWEKSA-N 467.352 6.435 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccccc1F 409190446 NNMSUKBOBCANDV-YVLHZVERSA-N 473.342 5.142 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(OCC)c2)cc1OCC 409313758 IWAPALZSVDHDEX-CEUNXORHSA-N 474.557 5.392 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3)C(=O)N2c2ccc(Cl)cc2)cc1 935238 QBOUUKUTLYJESZ-YMGIJWJESA-N 473.985 5.713 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)s3)n2-c2ccc(Cl)cc2)cc1 1836304 KEZGQRJWAGNIDY-DHRITJCHSA-N 482.034 5.508 50 40 JKGB CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 1906029 ZHMMYVOICCJOHN-LDADJPATSA-N 480.431 6.340 50 40 JKGB O=C(NNc1ccccc1Cl)C(O)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 1955376 ZPPSDZPQUMSXCI-UHFFFAOYSA-N 488.815 5.757 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccccc1 2159584 GQVXRYKUCCPXBW-UXHLAJHPSA-N 464.521 6.328 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc2c(c1)OCO2 2306937 NMBMBLYHZSKROV-LICLKQGHSA-N 464.319 5.131 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1 3116466 OQKCBDGBXHTUSD-OGLMXYFKSA-N 487.353 5.514 50 40 JKGB CN(C)C1=C(C#N)[C@H](CC(=O)c2ccccc2)c2c(c3ccccc3n2C)N1c1ccc([N+](=O)[O-])cc1 9008901 VOANTYVFHZVOAE-QHCPKHFHSA-N 491.551 5.892 50 40 JKGB CCn1c(SCC(=O)N/N=C(/C)c2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Cl)cc1 9272574 MACLBRGLXRBLFK-MSXFZWOLSA-N 482.824 5.558 50 40 JKGB CC(C)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(O)CC(C)(C)CC3=N2)cc1 13174746 MLYXHURHFDCQCA-XMMPIXPASA-N 491.682 7.149 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 13189336 JEIBJYIMBIJFFV-RUZDIDTESA-N 487.625 5.441 50 40 JKGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccccc1OCc1ccccc1Cl 15018665 DLTONNZKSQMBKA-KBVAKVRCSA-N 495.966 5.537 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1c(Oc2ccc(C(C)(C)C)cc2)nc2ccccn2c1=O 16735509 VKAGMYPFTFACNK-LVZFUZTISA-N 478.552 5.638 50 40 JKGB CCOc1ccc(-c2cc(C(=O)N/N=C/[C@@H](C)c3ccc(OCC(C)C)cc3)c3ccccc3n2)cc1 20176995 XRCSMEZIVCGOSF-PGYFOQMFSA-N 495.623 6.855 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 28215378 DGEHPAQETALDTA-LGJNPRDNSA-N 456.329 5.083 50 40 JKGB C=CCSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 33928147 NGWHSQAGOZMKNL-UWVAXJGDSA-N 484.952 5.493 50 40 JKGB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)c1 35177558 WCDBFNNIVIJCDF-AUEPDCJTSA-N 469.862 5.185 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 58871128 XZDSMULSSVXHIJ-LSHDLFTRSA-N 450.303 5.404 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1C 58912761 VZAHHYFBYDDTJN-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 59117372 NXHGZVZSABJQEY-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 59435251 UMMYOSXOIBAHFP-DHRITJCHSA-N 496.386 5.412 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSCc2ccc(C)cc2)ccc1OCc1cccc(Cl)c1 59473144 GNGGVTABQKHNJM-RWPZCVJISA-N 483.033 6.010 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1Cl 59536278 SIQYJFYQEOIPNS-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB O=C(N[C@@H](C(Cl)(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1 100924576 FQCSGSNOJALFDR-HXUWFJFHSA-N 452.705 5.127 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1OCc1ccc2ccccc2c1 107621028 HCCOAKGEIFMZCQ-ZCTHSVRISA-N 460.533 6.345 50 40 JKGB Cc1ccc(NCC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 408527748 GIHNEDVWIIGDTF-VFLNYLIXSA-N 465.384 5.867 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C#N)cc1Br 408547568 ZARMMTMOTUKUBH-CXUHLZMHSA-N 499.386 5.151 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccccc1 408549591 VJGXLADROOQQTL-CFRMEGHHSA-N 470.366 7.254 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 408745346 LYICNYMKHGYGFJ-NDENLUEZSA-N 462.933 5.790 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c([N+](=O)[O-])cc1OCc1ccccc1 408766735 FRXJYSDLADMTNN-MTJSOVHGSA-N 487.512 5.515 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccccc1Cl 408781848 FLSRNFDLSZPZBF-PXNMLYILSA-N 463.759 5.122 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(Cl)c2)cc1 408808770 NHUXRBHJMPRVMI-OEAKJJBVSA-N 488.971 6.258 50 40 JKGB Cc1cc(C)cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 408880547 IFRWGXFBCBPQEZ-UDWIEESQSA-N 451.353 6.735 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2Cl)c1 408898057 JYJKCRHOEKYFNP-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1ccc(Cl)cc1Cl 408968264 VASWBUYMYZUXHI-KVSWJAHQSA-N 472.303 5.356 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCc3cccc([N+](=O)[O-])c3)cc2c1 409186310 AEPKHQBWCUEKFO-YSMPRRRNSA-N 459.458 5.083 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccccc1Cl 409191127 SURMFKRZUOJQGD-WQRHYEAKSA-N 459.373 5.937 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1cccc(C)c1 409211656 NNVLPXJWFHPQKC-MTJSOVHGSA-N 493.357 6.708 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)c(C)c1 409256017 NJWKWWQQEQVOIK-BKUYFWCQSA-N 473.960 5.828 50 40 JKGB CC1(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)SCCS1 409366397 UURBCPDNHGYGDB-LPYMAVHISA-N 465.438 5.065 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)ccc1OCc1ccc(Br)cc1 409366536 VSIZUAXQXNSQKU-GRSHGNNSSA-N 464.315 5.830 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(OCc5ccc(F)cc5)cc4)c3C)[nH]c2c1 409393537 YEKPRYWUKGWKLD-HAHDFKILSA-N 492.554 6.761 50 40 JKGB COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 409393733 ZPRYKFYGKYVTCQ-OKCVXOCRSA-N 473.960 5.643 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1ccc(C)cc1 2078434 XBBXMOOBMXLZMH-VULFUBBASA-N 491.594 5.075 50 40 JKGB COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 3030457 MYZLBKICULWZNN-QDMMBMDASA-N 499.350 5.150 50 40 JKGB Cn1cnnc1SCc1ccc(C(=O)N/N=C/c2cccc(Oc3ccc(Cl)cc3)c2)cc1 3224377 WDQISRVOPAUQRZ-VULFUBBASA-N 477.977 5.317 50 40 JKGB COc1ccc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c([N+](=O)[O-])c1 9065387 HZUDHFNNTHJVLM-JLHYYAGUSA-N 457.309 5.466 50 40 JKGB N#C/C(=C\Nc1ccc(Oc2ccccc2)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 9445059 NUIRTGNYGDVNET-SAPNQHFASA-N 464.377 7.886 50 40 JKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 10059266 XRTWSVDOLGEOOV-FWWWNHOTSA-N 455.898 5.551 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccccc2O)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 14134739 CVEKNZHFQUOARJ-UVHMKAGCSA-N 452.341 5.774 50 40 JKGB COc1cc(/C=N/NC(=O)c2sc(N)c(C#N)c2C)ccc1OCc1ccc(Cl)cc1Cl 16249594 UTICIVMEFSEAHD-YPXUMCKCSA-N 489.384 5.169 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1cccc(Cl)c1 28216318 BSKLVXJGWLAZAM-OPEKNORGSA-N 450.753 5.583 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1ccccc1Cl 28216859 CQWUALOFAKYOIV-KCSSXMTESA-N 497.042 6.070 50 40 JKGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c1 59473020 NARNIKIMZRYFCI-OCSSWDANSA-N 468.622 6.419 50 40 JKGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 102540747 CWYZXVDXVITKLA-VWLOTQADSA-N 487.581 5.619 50 40 JKGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N=C2CCCC(O)=C21 102865488 ZTPNOJDEUUCKHL-SANMLTNESA-N 487.625 6.343 50 40 JKGB CCCCCCCCOc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 105421617 FNNQUWZJPQFJBB-NJZRLIGZSA-N 493.047 7.422 50 40 JKGB CC(C)(C)c1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(C(C)(C)C)c1O 110309939 PZTLUSINDNQDGW-DHRITJCHSA-N 453.564 5.874 50 40 JKGB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@H](Cl)[C@@]2(Cl)C1 118914070 JFNJWGVLTHTDCN-NGYRYOBISA-N 499.607 8.618 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(F)cc1 408540676 AXACNRHNXBBJIT-NDENLUEZSA-N 460.461 5.047 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)OC)c(Cl)c3)o2)cc1 408746530 ZTVXJFFABCERRL-VBKFSLOCSA-N 450.878 5.331 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2Cl)cc1 408789366 PGCXQSRGOXIUBG-SRZZPIQSSA-N 465.380 7.043 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1 408803651 RPXKUPPYVVCLAP-VCHYOVAHSA-N 482.323 6.335 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Br)cc3)c(C)c2)c1 408855309 CBPGTRCMGUVNLL-HYARGMPZSA-N 475.386 6.499 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1ccc(F)cc1 408857042 KKIBEMTZLGFMRH-KGENOOAVSA-N 456.904 6.757 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1Cc1ccccc1F 408867698 JROMCVAOQFFACB-RGVLZGJSSA-N 493.376 6.350 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1Cc1cc(C)cc(C)c1 408870627 WEKOFUBHASPTKD-CIAFOILYSA-N 479.407 7.145 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1Cc1ccccc1F 408875101 CZDUBVKRNUDJPM-CIAFOILYSA-N 462.952 6.631 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(Br)c2)cc1 408879080 APQXYHVYAOSKKR-UDWIEESQSA-N 493.332 5.511 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1Br 408883216 UGLBLSRQBVBVQL-LDADJPATSA-N 497.776 6.236 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccc(F)cc1 408885968 CBGOUOSXPVHUEQ-LICLKQGHSA-N 469.285 5.852 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 408980421 QVFWOSBZJGJYOF-QQNPRBCQSA-N 479.964 5.247 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1C 408981386 ATLAZUQLSNIFEV-ZDLGFXPLSA-N 454.357 6.264 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2cccc3ccccc23)c(C)n1-c1sc2c(c1C#N)CCCC2 408997297 NNDJNRDDJAPYBS-LQNQUEJISA-N 466.610 5.752 50 40 JKGB COc1cc(/C=C(\C#N)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1 409044782 DGXSOQQHPHVPKA-XDHOZWIPSA-N 463.331 5.539 50 40 JKGB N#C/C(=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 409079981 CPSPPAAKVPRKOR-LFIBNONCSA-N 455.348 6.378 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1 409090806 OUBDBDPECOFTQD-XNTDXEJSSA-N 487.821 6.605 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 409195333 OQTUJLSZOXOQNT-HTPDPPHASA-N 482.367 5.729 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(c1ccccc1)c1ccccc1 409392220 OCTJYJVKNNPYCO-FSGOGVSDSA-N 454.957 6.201 50 40 JKGB Oc1c(Cl)cc(/N=C/c2ccc(N(CCCCl)CCCCl)cc2Cl)cc1Cl 1872994 LGYYSZAZYGXOEK-BRJLIKDPSA-N 468.639 7.167 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1OCc1ccc(C)cc1 2143416 QMVRIKJAQCPXBQ-MUUNZHRXSA-N 462.549 6.344 50 40 JKGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3Cl)CC(=O)N2)cc1 2309676 NUUHTJYVUDGIHF-KRWDZBQOSA-N 460.386 5.266 50 40 JKGB N#C/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)Nc1ccccc1Oc1ccccc1 3318419 UZOYMLGJAMWICX-HEHNFIMWSA-N 493.950 6.930 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(NC(=O)c3ccccc3OC)Oc3ccc4ccccc4c32)cc1OC 9113112 SUZVXTWUPUARMI-MHZLTWQESA-N 492.531 5.555 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)NC[C@H]1CCCO1 9311515 HAKJCAIVGIYHII-PLMLNFJUSA-N 454.357 5.199 50 40 JKGB N#C/C(=C\Nc1ccc(Br)cc1)c1nc(-c2ccc(Br)cc2)cs1 9339685 FFTBUXJZKOLZOL-JLHYYAGUSA-N 461.182 6.312 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3cccc(OCc4ccc(Cl)cc4)c3)[nH]n2)cc1 9363577 QISHAWKCZOXENY-JFLMPSFJSA-N 460.921 5.082 50 40 JKGB COc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 15357201 DZXVOUVPNYWPLM-YBEGLDIGSA-N 454.349 5.051 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12)c1cccc(NS(C)(=O)=O)c1 22744468 XBDLVNKXTIIIFB-CEUNXORHSA-N 486.597 5.044 50 40 JKGB C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(OCCCCCC)cc2)c(OC)c1 27563904 XURVHIYNZMEFCQ-OQKWZONESA-N 462.546 5.083 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl 58913034 YUFFPCSSJSUIQV-OPEKNORGSA-N 463.752 5.143 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc(F)c1 59254480 RLIBUCUKKRHFCJ-WOJGMQOQSA-N 455.316 6.566 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)sc2c1CC[C@H](C(C)(C)C)C2 101066535 MABMKMSZQIVDNI-VZWFDDOASA-N 491.682 7.176 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)N=C2CCCC(O)=C2[C@@H]1c1ccc(Cl)cc1 102595351 YRSMDLJSQRJJTP-JOCHJYFZSA-N 484.408 6.635 50 40 JKGB COc1ccc(C[C@@H](C(=O)N/N=C\c2ccc(N(CCCl)CCCl)cc2)c2ccccc2)cc1 104049625 MRFYCXGEJGKZQJ-DREHFNEISA-N 498.454 5.456 50 40 JKGB CC(C)(C)[Si](C)(C)Oc1ccc2c(=O)c3ccc(O[Si](C)(C)C(C)(C)C)cc3oc2c1 169873819 HQLRKZSMYDILQZ-UHFFFAOYSA-N 456.731 7.714 50 40 JKGB CCN1c2cc(C)c(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2[C@H](C)CC1(C)C 208320142 UGPNDRPQMDNFGI-IKQNMSGQSA-N 469.629 5.493 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccccc1Br 408599070 DHZJZYROLGUZDT-CVKSISIWSA-N 452.396 5.918 50 40 JKGB COC(=O)c1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1 408730303 FOHQUSVLUWNCSP-STKMKYKTSA-N 499.570 6.362 50 40 JKGB Cc1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3ccccc3O)c2-c2ccccc2)cc1 408732446 ROPPSKYCJLWYAN-QXPFVDMISA-N 471.560 6.589 50 40 JKGB COc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2OC)cc1 408735038 MPIWEGUXKLSJDG-UDWIEESQSA-N 462.933 5.790 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1C 408799178 YGLVHXNJKHRVOW-DOZBRYHWSA-N 453.542 5.105 50 40 JKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(OC)c1 408799722 HXFBFJXTZAJKKJ-LFVJCYFKSA-N 478.548 6.290 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 408819775 RUXPMQUJBCZWOT-ODLFYWEKSA-N 454.357 5.633 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)c(OC)cc1Cl 408836908 WWYCEOKNFALVCU-KGENOOAVSA-N 498.966 6.635 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(C)cc1 408844086 GXCSYDQLWSXKHR-VYYCAZPPSA-N 493.357 5.855 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 408850094 FUTWYDGHJFNGPL-CAQPMQTCSA-N 488.547 6.055 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2F)cc(C)c1OCc1ccc(Br)cc1 408855386 CSUAKOUGTIPUOK-LGJNPRDNSA-N 455.327 5.548 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(Cl)c2)cc1 408887037 NLVWZUCLBZNMOK-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl 409254879 JHYXFCJDDUMNHH-VCHYOVAHSA-N 482.323 6.292 50 40 JKGB Cc1cccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c1 409267031 ROAMQLDSZOXFJH-CCVNUDIWSA-N 450.369 6.377 50 40 JKGB N#CC1=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)NC(=O)C[C@@H]1c1ccc(Cl)cc1 409326146 HHTYBOXZJAPYJA-MRXNPFEDSA-N 466.777 5.357 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 1190984 AEJYGVQEZLSQFD-JLHYYAGUSA-N 468.263 5.172 50 40 JKGB COC(=O)c1cc(OC)c(OC)cc1N/C=C(\C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1 1254416 JEHCNCQVNKTXBE-XMHGGMMESA-N 477.586 5.789 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCc3ccccc3)N(c3ccccc3)C2=O)cc1C 2225850 UWQAUBASAGTUEK-UZEPBSNMSA-N 467.594 5.046 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CCCC2 2316531 YVLSQUXVRILGPI-DTQAZKPQSA-N 491.525 5.517 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc(C)c1C 2384708 KKCOWZYMBZQEHV-WJDWOHSUSA-N 477.567 5.748 50 40 JKGB Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(C(C)C)cc1 4047956 VMFYENXDBUUOQP-AJBULDERSA-N 465.597 5.604 50 40 JKGB Cc1cccc(C)c1NCC(=O)N/N=C/c1cc(/N=N/c2cccc(C(F)(F)F)c2)ccc1O 4077483 PZDZBLSKAKUFOY-AFONTTJSSA-N 469.467 6.005 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@@H]2c1c(F)cccc1Cl 9009304 OBFSHDURNPKMBW-HXUWFJFHSA-N 466.900 5.328 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(Br)ccc1OCc1cccc(F)c1)OCO3 9296364 JQWWIYNUKPZAIP-QHCPKHFHSA-N 495.304 5.114 50 40 JKGB O=C(NN=C1CCC(c2ccccc2)CC1)c1cccc(NN=C2CCC(c3ccccc3)CC2)c1 12569964 WFBHHYAABWJZRC-UHFFFAOYSA-N 478.640 7.256 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(CCCC3=O)N2)cc1Cl 13174278 AFUAIEZWYKKJKZ-NRFANRHFSA-N 470.019 5.511 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)N2CCn3c2nc2ccccc23)c(C)n1-c1ccc(Br)cc1 15978157 JKHBVYJVNBBXIQ-XMHGGMMESA-N 486.373 5.160 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccccc1Cl 19826143 CKSWUDPVYCLFFT-OVVQPSECSA-N 476.005 5.529 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3I)c2C)c(C)c1 20194798 IOOQYVLPNJSYGW-AFUMVMLFSA-N 485.369 5.008 50 40 JKGB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1 20347775 WUJXUOWTZVAMIT-AREMUKBSSA-N 498.608 5.603 50 40 JKGB C/C(=N\NC(=O)c1csc(C(C)C)c1)c1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 20550106 WZMAXGMGEQWJOQ-VPUKRXIYSA-N 497.436 5.797 50 40 JKGB CCCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2Br)cc1OCC 20761006 HYTBSLASCJZPNP-WSDLNYQXSA-N 484.188 5.163 50 40 JKGB COc1ccc(C(=O)COc2ccc(/C=C(/C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1 33470770 TWQPQJBQFQNPQF-STZFKDTASA-N 486.980 6.798 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1ccccc1Cl 59117224 CVLFCZYXYNREHN-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1cccc2ccccc12 59426448 ZBDGFHYYKMCIFK-LQKURTRISA-N 489.369 5.954 50 40 JKGB CC(/C=C/c1ccccc1)=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 85915565 GEKUNSPYFFOCRA-BWOFDUAPSA-N 453.571 5.232 50 40 JKGB Cc1cc(N(CCCl)CCCl)ccc1/C=N\c1ccc(-c2csc(-c3ccccc3)n2)cc1 104076029 HLSPIIWZPKTUBI-YKQZZPSBSA-N 494.491 7.820 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1ccc(C(=O)O)cc1 408544160 VHTVOMUAQAQRGY-JAIQZWGSSA-N 478.298 5.489 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)c(C#N)c1C 408547594 ZMWCIEHRBGBATG-MHWRWJLKSA-N 464.930 5.737 50 40 JKGB O=C(NNc1ccccc1OCc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 408603314 GHBVTSLJGMBAST-QGZVFWFLSA-N 470.356 5.069 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)NCc1ccccc1 408746234 CSLRJGGGSUJLHR-JAIQZWGSSA-N 492.329 5.160 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccccc1Cl 408747486 OQEFMJWWEOXWQQ-JAIQZWGSSA-N 467.352 5.804 50 40 JKGB COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)COc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 408751314 DDWQMEPWWBJOPC-AURYFIRGSA-N 467.569 5.441 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OCC 408760691 DGPSTJXKZOVTHO-LSHDLFTRSA-N 460.155 5.317 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccc(C)cc1 408775865 SOYWCSPYFQUGTD-ODLFYWEKSA-N 495.348 6.030 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1 408801203 SFUCAXOXJOFPGB-HKOYGPOVSA-N 476.532 6.141 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)Nc1ccccc1F 408815027 SXVYRPVPTORBMA-PTNGSMBKSA-N 471.366 6.091 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 408819912 ZBQVFYJGCOJQFF-LDADJPATSA-N 468.782 6.364 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 408827109 CJPOMKWDPGUBNG-XIEYBQDHSA-N 494.978 7.044 50 40 JKGB Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)C(=O)N(C)C)c3C)sc3c2CCCC3)cc1 408859591 YKXBWEMDVOZRNS-QNGOZBTKSA-N 486.641 5.590 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc(OCc2ccccc2Cl)c1 408881396 MXYTVAWIQXPDJU-DHRITJCHSA-N 451.935 5.303 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1OCc1ccc(Cl)c(Cl)c1 408889050 BDCQFVKXOMXMMY-BRJLIKDPSA-N 474.300 5.253 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OCc1ccccc1 408890116 OCDJFCRKKJJODE-YBFXNURJSA-N 467.352 6.435 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1ccc(Cl)cc1Cl 408890173 PCCJCHBKLSBZJG-RQZCQDPDSA-N 498.322 6.035 50 40 JKGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2cccc3ccccc23)cc1Br 408892865 DIVJDOFSJCHMPJ-ZMOGYAJESA-N 488.179 5.694 50 40 JKGB N#C/C(=C\c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 408992013 PYYWPBVKHVWFJU-XMHGGMMESA-N 452.495 5.840 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1sc2c(c1C#N)CCCC2 409002028 SBKABFARDZBVHV-UVHMKAGCSA-N 466.994 5.089 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(Br)cc1F 409221249 NMFMISRUQQEBMS-STZFKDTASA-N 480.381 5.652 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2Cl)c(C)c1 409262832 KBTHHXKLKVRJDP-XDHOZWIPSA-N 494.378 6.173 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1OC 409319038 ZJMXYJANWZSDRB-NTFVMDSBSA-N 482.964 5.489 50 40 JKGB CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)cc(Cl)c3)=C2C#N)cc1 409324612 UCXQMSWSAHCZBU-QGZVFWFLSA-N 478.426 5.426 50 40 JKGB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NN=C2CCCC2)cc1 685640 XYFIMSVWAMBJHF-UHFFFAOYSA-N 496.032 5.704 50 40 JKGB N#CC1=C(N)N(c2ccccc2Cl)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl 2089943 CHCNEJDRDTUHON-WXTAPIANSA-N 486.402 6.692 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 2358675 NKGFLXXBBSNYAX-MTDXEUNCSA-N 485.613 5.274 50 40 JKGB Cc1cc(Cl)ccc1NCc1nnc(S[C@@H](C)C(=O)N/N=C/c2ccco2)n1-c1ccccc1 2740348 RFKMKUDHYSOPBG-MAFAOTQISA-N 495.008 5.065 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 3322586 YLCMNKSEUBMBHD-CYVLTUHYSA-N 471.513 6.239 50 40 JKGB Cc1ccc([C@H](C)N(NC(=O)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)C(=O)c2ccccc2)cc1 3616703 GCKMWKLKMXNKCJ-VWLOTQADSA-N 492.619 5.783 50 40 JKGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc(C)c1C 12195041 PLJIOAXYXPEHOQ-XNTDXEJSSA-N 474.460 5.976 50 40 JKGB CC/C(=N\NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)c1ccc(-c2ccccc2)cc1 14920842 VWTIKIJTPSJVHF-VEWQFJOQSA-N 470.657 7.377 50 40 JKGB COc1cc(/C=C(\C#N)c2ccccc2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1Cl 16035640 BXDXGIMARFHBEG-SFQUDFHCSA-N 463.877 5.338 50 40 JKGB CCOC(=O)c1cc(C(C)C)sc1NC(=O)/C(C#N)=C/c1ccc2c(c1)c1ccccc1n2CC 20215154 CJAQABLHQBWDPL-CPNJWEJPSA-N 485.609 6.722 50 40 JKGB N#Cc1ccccc1COc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1Br 20760668 ANLMZLFHLYPJDF-LGJNPRDNSA-N 468.738 5.317 50 40 JKGB Cc1c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2n1Cc1ccccc1Cl 33734749 BVLXRIXFCPHBRD-DICXZTSXSA-N 460.921 5.252 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccccc1F 35107605 KZBCVFKCBLMDKT-ZDLGFXPLSA-N 492.348 6.425 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2OC)cc1 59117340 CKKSBOYFBDISBN-SFQUDFHCSA-N 497.334 5.775 50 40 JKGB O=C(Oc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1)c1sc2ccccc2c1Cl 59500709 SSPBBDWBPPVQPP-MUFRIFMGSA-N 484.964 6.691 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(O)CCCC3=N2)c1C 104090743 VAYSZJJVROPPHX-XMMPIXPASA-N 478.017 6.598 50 40 JKGB CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3F)o2)cc1 252494063 NKBRUDJYTAHSKQ-LFIBNONCSA-N 453.311 6.517 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)cc1 408767369 WDMSAAQHCOHIHY-JCMHNJIXSA-N 493.523 6.044 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(C)c(C)c1 408805698 BZGBXUPNHZBOIM-WSDLNYQXSA-N 460.961 6.399 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c1C 408810398 IVXWKUGQKWDVEA-XQNSMLJCSA-N 466.968 7.235 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1Br 408819991 SKPGMENBRKFWBU-GHXNOFRVSA-N 468.120 5.295 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(C)c1OCc1ccc(Br)cc1 408856899 RWAAVEZKVAVBEP-MUFRIFMGSA-N 487.397 6.562 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1OC 408858397 RXQFMGCVOUZFIU-CFRMEGHHSA-N 457.324 5.095 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cc1cc(C)cc(C)c1 408864837 ADQUXXROFVZDSS-YDZHTSKRSA-N 455.514 5.747 50 40 JKGB C[C@@H]1CCCCN1c1nc2ccccc2cc1/C=C(\C#N)c1nn(-c2ccccc2)c(N)c1C#N 408976762 TULOHWRSPVSVJP-NDWLXSOOSA-N 459.557 5.317 50 40 JKGB Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)cc1C 409002615 VRZKKYNKSVGVHW-LGJNPRDNSA-N 453.384 5.036 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3)c2C)cc1 409186945 JZMFCMYAJZPMQH-RDRPBHBLSA-N 454.574 5.664 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409208796 DJJQJFIXRGQSGR-GRSHGNNSSA-N 479.876 6.198 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12)c1ccccc1 409240071 PLESFGSPZAWBOR-AUFPJITRSA-N 476.532 5.901 50 40 JKGB Cc1ccc(COc2ccc(/C=C(/C#N)c3cccc(F)c3)cc2I)cc1 409390316 DYVYXGYGAHTNTH-JAIQZWGSSA-N 469.297 6.382 50 40 JKGB COc1cc(/C=C(\C#N)c2cccc(F)c2)cc(Br)c1OCc1cccc2ccccc12 409390465 FQANOBRVVZWWMT-WSDLNYQXSA-N 488.356 7.393 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1808335 HYYUCULRLVVXFM-LICLKQGHSA-N 469.280 6.194 50 40 JKGB Cc1cccc(C)c1N/C=C(/C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2204844 IMANQUMENADWAW-WJDWOHSUSA-N 478.371 6.272 50 40 JKGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@H](Br)C2=O 8433141 NGZWVRXNRXLQKS-FOVJLYNBSA-N 488.809 5.668 50 40 JKGB CC[C@@H](Nc1cccc(C)c1)C(=O)N/N=C\c1ccccc1OCc1cccc(Br)c1 8450895 WXOCVUQFVXUIIV-MAAPNWIXSA-N 480.406 5.677 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccccc2)c1)c1cccs1 9232970 FGPHJPUJHFWKSA-WPWMEQJKSA-N 455.539 5.343 50 40 JKGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1ccc(-c3ccc(Cl)c(Cl)c3)o1)CO2 9396941 SGTKFBZGLKOAFS-GPBZHFFBSA-N 473.356 5.841 50 40 JKGB Cc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(OCc4ccccc4)cc3)CC(=O)N2C1 12251068 QJGUMYTUDAPICA-XMMPIXPASA-N 467.594 5.794 50 40 JKGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)cc1 13055497 IPWIOQBCGTZWOC-DEOSSOPVSA-N 494.016 5.540 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)ccc2C)=C(C#N)[C@H]1c1cccs1 20028752 DEKWTPFPUKVCRP-QHCPKHFHSA-N 479.627 5.162 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccccc1Br 20241175 PEFOOIKZAKLXSE-WJNWYLSZSA-N 490.854 6.141 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1 20765014 BYWQUZWRIBZFHH-JFLMPSFJSA-N 476.374 5.615 50 40 JKGB CCCOc1c(Cl)cc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1OCC 21841884 LIVVIKNPEBMBAI-KTZMUZOWSA-N 480.179 5.229 50 40 JKGB COc1cc(/C=N\NC(=O)COc2c(C)cc(C)cc2Br)ccc1OCc1ccccc1 28616254 ILMXFKCJRWNHPW-VYYCAZPPSA-N 497.389 5.183 50 40 JKGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OCc1ccc(Cl)cc1 33726576 IATJFBFRRRCGDE-ODLFYWEKSA-N 462.889 5.171 50 40 JKGB CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)c1 33905617 ULPOMRUDWWJROR-OQKWZONESA-N 459.553 6.279 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1cccc(Cl)c1 58913272 ZTBLVLGRFGPRAH-OPEKNORGSA-N 463.752 5.143 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Cl)c1 59201299 ABMONHVKLBETPU-UDWIEESQSA-N 495.804 6.844 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccc(Cl)cc1 59232800 NNLBXRFOCYDKIQ-RCCKNPSSSA-N 482.923 6.267 50 40 JKGB CC1(C)CC2=NC(SCC(=O)NC(C)(C)C)=C(C#N)[C@@H](c3ccc(Cl)cc3)C2=C(O)C1 104165592 VJAAVVHFXLQDOP-HXUWFJFHSA-N 458.027 5.893 50 40 JKGB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OO[S@@](=O)c5ccc(C)cc5)CC[C@]4(C)[C@H]3CC[C@]12C 118925921 OHAPMUUAMJFVSA-JEHXFIGWSA-N 470.675 6.502 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccccc2N)ccc1OCc1ccc(Cl)cc1Cl 169893760 ILEMYDNVQPXJDU-WKIKZPBSSA-N 458.345 5.317 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccccc1 209493973 XCAVHDWUPRPPBH-UDWIEESQSA-N 477.358 5.848 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(I)c1OCc1ccccc1 408568032 RQMYFWNVBQNKNJ-NHDPSOOVSA-N 492.316 5.815 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(Cl)cc1Cl 408579614 IQZKOAJCSBFGGL-CXUHLZMHSA-N 459.716 7.198 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1 408580782 DXXQNBOWJCFZKN-WOJGMQOQSA-N 483.351 6.092 50 40 JKGB CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(Br)cc1 408581901 ZUQQRBCYJDZKPK-NTUHNPAUSA-N 486.001 6.437 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc2c(c1)OCO2 408744954 ISEUUNNHIYMMSN-ODLFYWEKSA-N 476.916 5.592 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 408783922 QRWJVXLSBRCSKA-WYMPLXKRSA-N 460.759 5.283 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1ccc(I)cc1 408787257 VXXNKENQQLASMD-CVKSISIWSA-N 493.348 5.616 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408790115 TXFANSBAMUURPP-LZYBPNLTSA-N 492.189 7.425 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1F 408790263 OMTQEOIALOIUHX-CIAFOILYSA-N 478.951 6.619 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)c1 408796363 NVKSPGSNAOWVSK-BUVRLJJBSA-N 466.968 7.235 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Cl)c2)cc1Cl 408799170 YGCCXBYAPVETCE-VCHYOVAHSA-N 455.316 6.566 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Cl)c2)cc1 408802706 GIMDGNLFRMJADA-XQNSMLJCSA-N 496.994 7.325 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OC(=O)c1cccc2ccccc12 408879059 FCIZPNCGLGHJOO-STBIYBPSSA-N 468.509 5.149 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408880523 KHEAFVIKNHHHFB-LICLKQGHSA-N 498.322 6.035 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3Cl)ccc3ccccc23)c(C)c1 408883452 PTRLQVLTYVDNCM-JJIBRWJFSA-N 450.969 7.247 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OCc1ccc(Cl)cc1Cl 408884165 XWKJFGFYRYDOCN-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Cc2ccccc2Br)c1 408885211 XVMOIONVBOLHIA-LPYMAVHISA-N 475.386 6.211 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 408888262 YDMIBWCLWIECDV-PXLXIMEGSA-N 490.581 5.324 50 40 JKGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1CC=C 408994083 YJKWGPOAMCHLNU-PDGQHHTCSA-N 469.766 5.697 50 40 JKGB Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(Br)cc1F 409002692 WGVXXZMXOIYOER-VYYCAZPPSA-N 464.338 5.913 50 40 JKGB CC(C)(C)c1cc(/C=N\NC(=O)COc2cccc(Br)c2)cc(C(C)(C)C)c1O 409014016 OLYVEBDOPCSKGN-MXAYSNPKSA-N 461.400 5.279 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2F)c(C)c1 409041940 LDZVEVRRGXEFAM-VXLYETTFSA-N 469.343 6.874 50 40 JKGB CC(C)COc1c(Br)cc(Br)cc1/C=C(\C#N)c1nc2ccccc2o1 409044248 UWSMASZYJPREFD-VGOFMYFVSA-N 476.168 6.452 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OCc1cccc(Cl)c1 409067913 QQBADETZFLZHRL-CIAFOILYSA-N 493.390 6.855 50 40 JKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Br)cc1 409103073 AGCHLQVRAYKQKF-SSZFMOIBSA-N 469.791 6.799 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 409136796 ZOBHRNVULZWZIA-QFIPXVFZSA-N 473.743 6.150 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4cccc5ccccc45)c3C)cc2c1 409186765 HPJUEUXVSXRSIW-RHANQZHGSA-N 451.526 6.156 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(OC)c1OCc1ccc(F)cc1 409248171 GNNRISJCTQZDPF-WYRWUVFZSA-N 470.544 5.926 50 40 JKGB Cc1cccc(NC(=O)Cn2cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)c3ccccc32)c1 409249032 IYJMETYAONKLAY-RGNNIMSVSA-N 462.553 5.373 50 40 JKGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 409262829 JBZGTFYZUZJNHG-BRJLIKDPSA-N 474.300 5.253 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)cc1C 409266100 JPQMODKKZXSSCK-XDHOZWIPSA-N 475.932 5.226 50 40 JKGB Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Cl 409271975 WYRIWEYYLLOTJH-ODLFYWEKSA-N 494.378 6.173 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1OC 409315706 WPBDPTFABLJGHY-VYYCAZPPSA-N 473.356 5.744 50 40 JKGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)c1 1063413 FYKYZAJVTVIYRI-FOKLQQMPSA-N 491.183 5.089 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)cc1Cl 2383129 YDWAOIDBWICRFF-HEQFHQOESA-N 488.012 6.022 50 40 JKGB CCC/C(=N\NC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12)c1ccc(Cl)s1 8454663 GWYDUWFWJVGBIV-NLRVBDNBSA-N 454.020 6.921 50 40 JKGB CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccccc2)sc2c1CCCC2 8743800 OISDPYFJNVEHAL-NBVRZTHBSA-N 474.586 5.520 50 40 JKGB CC(C)(C)C1CCC(=NNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)CC1 20233408 JGGINDGHYANILE-UHFFFAOYSA-N 490.069 5.628 50 40 JKGB C/C(=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1 20499752 KBQWLXKYYHOPLE-ZTKZIYFRSA-N 495.620 5.167 50 40 JKGB O=P(Oc1cccc(P(=O)(c2ccccc2)c2ccccc2)c1)(c1ccccc1)c1ccccc1 33353937 PZLHKSWEKZVLTM-UHFFFAOYSA-N 494.467 5.634 50 40 JKGB biogenic CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 33454763 WEDFQXYKMIOPAN-LDADJPATSA-N 493.922 5.441 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccc(C)cc1 34735816 JCRZPDHGCOLBEQ-UXHLAJHPSA-N 468.553 5.898 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4cc3OC)c2C)c1 34848740 ZKULOZSNWFLPJG-STBIYBPSSA-N 469.541 5.197 50 40 JKGB N#C/C(=C\c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1)C(=O)Nc1ccc(O)cc1 35400705 KOQJXPRVLYTWFT-MHWRWJLKSA-N 482.323 5.262 50 40 JKGB COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1Cl 38700749 OABQOQCACAOIQV-HSZRJFAPSA-N 478.957 5.508 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccccc1F)S(=O)(=O)c1ccc(C)cc1 58925252 OWHYSLUMFOHJHF-XHLNEMQHSA-N 495.620 5.189 50 40 JKGB CCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F 103528238 AEBXMEWTIPKPRJ-NSHDSACASA-N 450.220 7.154 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccc(Br)cc2)c1 207058126 ZZQLGSVXHIUKAJ-UNOMPAQXSA-N 481.777 6.536 50 40 JKGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc21 208259606 NODWEFDEWVPFGV-HXGLEVQOSA-N 488.813 6.335 50 40 JKGB Cc1cc2nc(/C(C#N)=C\c3ccc(OS(=O)(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)[nH]c2cc1C 408541329 AHIAODGOVFTWKW-UNOMPAQXSA-N 488.525 5.228 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 408566361 FYHIPUSEYZFFIW-PXNMLYILSA-N 468.315 6.661 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccccc1F 408566695 AYABEKYODLDHGQ-VULFUBBASA-N 469.607 5.241 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 408591153 RQAVDKSJFSBXLM-UVHMKAGCSA-N 477.775 6.388 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccc(C)cc3)n2)c1 408724036 CSIRFOICZXAICP-NDZAJKAJSA-N 460.537 5.773 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)c1 408746491 ZPCCOENVEAMSBB-UQQQWYQISA-N 479.555 6.666 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(I)cc2)c1 408795165 KIPAWLAYHHLZCU-XSFVSMFZSA-N 494.332 5.724 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(C)c(C)c1 408799035 GQYASARFDADKIH-WSDLNYQXSA-N 460.961 6.399 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)cc2)c(OC)cc1Cl 408825984 KGVCWVYGZWJOHC-VCHYOVAHSA-N 483.351 6.135 50 40 JKGB CN(C)c1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1Br 408831326 PXWGGNKWYOITSQ-VULFUBBASA-N 480.431 5.468 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 408853207 ZSLCPQCKCRYIME-LJUMEUDFSA-N 497.982 6.837 50 40 JKGB Cc1cc2nc(/C(C#N)=C\c3cc(Br)c(Sc4ccc(Cl)cc4)o3)[nH]c2cc1C 408859114 WPAGSWKZIJYYNB-ZROIWOOFSA-N 484.806 7.404 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(Cl)c2)cc1 408867245 KSLFXBYEIJMZPR-FYJGNVAPSA-N 462.908 5.792 50 40 JKGB Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)c1 408871905 ZHNPFUKFGJVPPI-OEAKJJBVSA-N 459.387 6.511 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C)cc2)c(Br)c1 408877669 XOTQMFLOVGQRGC-HYARGMPZSA-N 475.386 6.445 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cc(C)cc(C)c2)cc1 408887040 LNRRFBGLXQFLHM-LFVJCYFKSA-N 454.526 5.605 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)C(O)(c1ccccc1)c1ccccc1 408890842 HHODKUVOYXHTHS-NDZAJKAJSA-N 470.956 5.305 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)c([N+](=O)[O-])c1 408894506 IKKMIQBBOKOJMX-UDWIEESQSA-N 473.485 5.045 50 40 JKGB O=C(N/N=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2o1 408905344 XOPYOVYSMGDHTQ-WKIKZPBSSA-N 456.433 5.247 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Cl)c1OCc1ccccc1C 408926642 YYFSJPOCXHYPNU-LGJNPRDNSA-N 487.781 5.762 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1 408937199 NBNRFLNJORAOIK-BKUYFWCQSA-N 460.917 5.641 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c(F)c1 408968548 XBPDILWVVWVWEO-IPBVOBEMSA-N 460.267 5.486 50 40 JKGB Cc1cccc(COc2ccc(/C=N/NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)cc2)c1 408982079 XMYMNVWRMMUEDX-PUFQGMHOSA-N 491.591 5.586 50 40 JKGB O=C(N/N=C\c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)c1cc2cc(Cl)ccc2o1 409023046 BXQFWVZXZDBRPU-WKIKZPBSSA-N 472.888 5.761 50 40 JKGB COc1cc(/C=N\NC(=O)Nc2ccccc2)c(Br)cc1OCc1ccccc1F 409082451 SQFZPQCODQWLQK-MXAYSNPKSA-N 472.314 5.331 50 40 JKGB Cc1ccc(NCC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1C 409110921 ACXBIAJKCQGTBX-ZMFRSBBQSA-N 468.966 5.578 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1NC(=O)c1ccccc1 409209487 FVIDUCAYQLIZLV-WQRHYEAKSA-N 453.329 5.341 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C 409255434 KLQDBNWBLAAOLF-RGVLZGJSSA-N 491.931 5.955 50 40 JKGB COc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)cc2)ccc1OCc1ccccc1 409303236 MNPAOBJJRPJHJS-MNBJERMJSA-N 484.527 5.756 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2F)ccc1OCc1ccccc1 867634 SBWWJEQTXAJLMQ-WOJGMQOQSA-N 481.321 5.721 50 40 JKGB O=C(NC1CCCCC1)NN(C(=O)Nc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 1415221 FGTVHUXEJQTGIY-UHFFFAOYSA-N 453.543 5.535 50 40 JKGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)cc1 1788488 QIKHJWVOSNHFQX-HYARGMPZSA-N 468.372 5.675 50 40 JKGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 1790230 YCHRCQNRSWEONM-HWLQVLAGSA-N 465.333 5.122 50 40 JKGB N#CC1=C(N)N(c2ccccc2Cl)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl 2089941 CHCNEJDRDTUHON-DWXRJYCRSA-N 486.402 6.692 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@@H](c3ccccc3)Nc3ccc(Cl)cc3[C@H]2[C@H]1Cl 4131500 XZHNHHBEPYCAEN-JYTHNSPOSA-N 471.409 7.287 50 40 JKGB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccncc2)C(C#N)=C(SCc2ccccc2)N1 6015270 XEHRLOLUHQKSPZ-XMMPIXPASA-N 473.001 6.003 50 40 JKGB COc1ccc(-n2c(-c3ccccc3)cc3c2CCC(C=O)=C3Sc2ccc(Cl)cc2)cc1 8781529 HVZHMOPAZAZYJN-UHFFFAOYSA-N 472.009 7.455 50 40 JKGB C/C(=N\NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1)c1ccc(Br)cc1 9089220 HLXYPSCCZUQALD-LSHDLFTRSA-N 452.139 5.300 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1ccc(Br)cc1 9200734 CDAQYWVHDLFIEL-AFUMVMLFSA-N 453.336 5.109 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1ccc2ccccc2c1 9428305 HFBZONMMLBOWGE-OFWBYEQRSA-N 497.668 6.544 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 12560497 BOCBWMCXNAHLQU-HMMYKYKNSA-N 453.523 6.157 50 40 JKGB Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 14408914 OMMMEWLKLWSQFD-KBKYJPHKSA-N 493.188 5.681 50 40 JKGB N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@H]1c1cccnc1 14944146 MJUYBXXPJASMPL-QFIPXVFZSA-N 472.346 5.044 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccc(C(=O)OC(C)C)cc1 20760564 DLYOCYGGBHPUSR-VULFUBBASA-N 482.378 5.186 50 40 JKGB CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1 27563359 WFCFCVWDWSCINX-IKGIARBASA-N 473.956 6.820 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccc2ccccc2c1 35060478 KOZZDYYSDLMDKR-XKZIYDEJSA-N 488.356 7.393 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1Cl 58913263 WRCJOWBJDBTULX-NSKAYECMSA-N 498.197 5.797 50 40 JKGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)c1 58913282 RTXQPOYTPZRNEI-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 58916825 HWXSSXRMADWOJO-LGJNPRDNSA-N 484.463 5.857 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 59116745 IAWYRTIBSUIZLI-UNOMPAQXSA-N 467.352 6.517 50 40 JKGB N#C/C(=C/c1cccn1-c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 59249932 GXHCQCDAEOICEZ-RAXLEYEMSA-N 461.146 6.092 50 40 JKGB COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3c(C)cccc3C)N=C3CCCC(O)=C32)ccc1O 102617346 AGHMEQCIAQXKPB-DEOSSOPVSA-N 489.597 5.659 50 40 JKGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(O)CCCC2=N1 103708447 MKLDPKALTPZVMT-VWLOTQADSA-N 474.582 5.831 50 40 JKGB CCOc1cc(C(=O)Cl)cc(I)c1OCc1cccc2ccccc12 226327615 CXWNWTBKKHTCTA-UHFFFAOYSA-N 466.702 5.801 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408746412 SNXQSWHYDDDXCV-RGEXLXHISA-N 470.916 6.105 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(F)cc1 408795056 JYCSHBNTABFGIZ-CIAFOILYSA-N 478.951 6.619 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(OCc2ccccc2)cc1 408823412 DFYIYQDDNJWXRH-ULJHMMPZSA-N 465.528 6.358 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1Br 408879367 FVSUKUPHFDQORD-KGENOOAVSA-N 491.385 6.281 50 40 JKGB COc1cccc(/C=N/NC(=O)COc2ccccc2Cl)c1OCc1cccc2ccccc12 408913056 PHPFLPDYFMLDHZ-MUFRIFMGSA-N 474.944 5.610 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1 409063543 BYZHVZZHXJRVEZ-XNTDXEJSSA-N 491.327 5.446 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cn(Cc4cccc([N+](=O)[O-])c4)c4ccccc34)cc2c1 409186968 KHLQTBRWGZJBIF-MBTHVWNTSA-N 482.496 5.507 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1cc(C)ccc1C 409269867 AKKKGYNHZIXOEH-UCQKPKSFSA-N 483.568 5.492 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1OCC 409336209 QWUMDIMLHQNBNU-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB Cc1c(/C=C(\C#N)c2ccc3c(c2)OCO3)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 409362955 KOSAKPTYAXWQGE-YBFXNURJSA-N 461.348 7.098 50 40 JKGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 1767572 VICXHQAOPDYICC-RIYZIHGNSA-N 493.213 6.349 50 40 JKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)cc1 1903498 MQHHDYGQEQSTFH-HKOYGPOVSA-N 455.510 5.735 50 40 JKGB Cc1cc(OCC(=O)N/N=C/c2c(Cl)cccc2Cl)c(C(C)C)cc1Br 2081204 JRRAYBQCYLQZPO-NUGSKGIGSA-N 458.183 5.717 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(SCc3ccccc3Cl)N=C3CCCC(O)=C32)cc(OC)c1OC 2227356 FPMJRZTXDKVOLT-HSZRJFAPSA-N 497.016 6.569 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)(F)[C@@H](F)Cl)n2)cc1 2284825 ZRHUUWYVJSZNHF-RDPWEWGOSA-N 465.884 6.301 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc1 2676259 PTMUZOMKSGBTSZ-CVKSISIWSA-N 460.331 5.437 50 40 JKGB COc1cc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 2743360 KAEZVLMQMQLIIX-LQKURTRISA-N 487.383 5.890 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc(Br)ccc1OCc1cccc(F)c1 2743614 IIHCERDXHHCBOA-QFIPXVFZSA-N 497.364 5.618 50 40 JKGB C=CCOc1c(I)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC 2846730 QBXDTBCQGADQRN-MHWRWJLKSA-N 476.270 5.227 50 40 JKGB COc1ccc(-c2ccc(/C=N/NC(=O)COc3c(C)cc(Br)cc3C)o2)cc1Cl 3025184 NNUJGBTVVFHXOD-OPEKNORGSA-N 491.769 5.517 50 40 JKGB N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 3239205 YZZUIJFRLNQLDB-RZNTYIFUSA-N 458.326 5.315 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1 3270579 URKPSQLFFASYKQ-WOJGMQOQSA-N 486.877 6.492 50 40 JKGB O=C1Oc2ccc([N+](=O)[O-])cc2[C@H]2c3sc(=O)n(-c4ccccc4)c3S[C@@H](c3ccccc3)[C@@H]12 9427789 INXHNHDHJSVIEL-HKBOAZHASA-N 488.546 5.321 50 40 JKGB CCCOc1ccc([C@@H]2CC(=O)N3C(=C2C#N)SC[C@]3(O)c2ccc(Cl)cc2)cc1OCC 12276010 GCDFMQNZLIBDGQ-DFBJGRDBSA-N 485.005 5.171 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1ccccc1O 13940846 YAZVDTPNWCDZCZ-ZMFRSBBQSA-N 498.395 5.189 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)cc1F 15230899 VILVBXNYDHVSJZ-XLNRJJMWSA-N 491.570 6.808 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCCOc3ccc(C(C)(C)C)cc3)c2)c1 16157723 RQZJAWCCFNINEV-PTGBLXJZSA-N 454.570 6.296 50 40 JKGB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccnc2)C(C#N)=C(SCc2ccccc2)N1 16512037 BWVYKCWDCDVLIO-RUZDIDTESA-N 452.583 5.658 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c(C)c1 16701075 DRSBDCWULGYXGE-HKOYGPOVSA-N 476.580 5.860 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1F 33660326 NMNPUKCAWXWNAF-PDGQHHTCSA-N 463.896 5.351 50 40 JKGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 33958886 LPVWIZGFPAEMJK-MZJWZYIUSA-N 470.356 5.224 50 40 JKGB Cc1ccccc1OCCCN1C(=O)/C(=N\NC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc21 46085173 VSWWUNODAFVPOY-BLCKFSMSSA-N 499.611 5.008 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 59272186 WFCNIDNPPIGQRF-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c3ccccc32)cc1 59336416 IZWFYJXHTDZNLV-UYRXBGFRSA-N 460.364 6.851 50 40 JKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2nc(-c3ccccc3)oc2Cl)cc1 97964874 SKKWPDGDPZNKLB-ZTKZIYFRSA-N 482.024 7.278 50 40 JKGB Cc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N=C2CCCC(O)=C21 102532562 ZVSPXDXOPMVAHP-HSZRJFAPSA-N 463.990 6.290 50 40 JKGB COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@H]3[C@H]2C(=C(C#N)C#N)C2CC2)cc1 102943398 PKOCHAJLNMAWDA-ZLESDFJESA-N 497.598 6.441 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 207059491 UGRWAAJTLPZVNN-BKUYFWCQSA-N 462.933 5.160 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2cccc3ccccc23)cc1OC 408540206 OOYBVCXJOMRMTL-CEUNXORHSA-N 467.009 7.005 50 40 JKGB CCOc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1OCc1ccc(Cl)cc1Cl 408718793 KCRJPLAKSDPOOS-UHCRKPAZSA-N 475.416 6.248 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 408740384 BMJRRLRHQLQCET-ULJHMMPZSA-N 481.983 6.872 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c1 408759056 XCGYVNRTLFYOEB-QGOAFFKASA-N 477.314 5.223 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc2ccccc2c1)C(=O)Nc1cccc(Br)c1 408763924 GKSATXMJHONHQR-HAHDFKILSA-N 483.365 6.727 50 40 JKGB Cc1cc(/C=C(\C#N)c2ccccc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408768008 BDLFPTIXQQXFOM-PXLXIMEGSA-N 480.480 6.767 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(-c2ccccc2)n1-c1ccccc1 408777431 YZPOEQXIRVRQLQ-QNGOZBTKSA-N 472.375 7.305 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCc1ccccc1Cl 408786504 RLZIIFMUDGERLJ-NUJZUDFISA-N 476.882 6.100 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1ccc(F)cc1 408794464 SHZFQJNGVJXJLG-KGENOOAVSA-N 474.488 5.136 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408859761 QICVJROJJSDJAW-LFIBNONCSA-N 492.419 5.379 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(Br)c2)cc1 408873497 UVMRIXDBIITTIE-FYJGNVAPSA-N 479.805 6.801 50 40 JKGB N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408879342 FSMZAKPVEYMVIC-YRNVUSSQSA-N 473.228 5.615 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1 408883250 UMASWOOBWFZUPL-UDWIEESQSA-N 491.931 6.080 50 40 JKGB C/C(=N/NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1)c1c(C)nn(-c2ccccc2)c1O 408951227 IBLYOBWAIFXTHE-COEJQBHMSA-N 482.584 5.131 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c2C)cc1 408962339 HOJWVTIBNSHFGC-CCVNUDIWSA-N 457.452 5.054 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OCC)c1OCc1ccc(Cl)cc1 408967424 QNTIQMWEWTZWKQ-WCMJOSRZSA-N 491.950 5.821 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1 409068947 UWIDZAZVGBOLJW-GZTJUZNOSA-N 487.364 5.615 50 40 JKGB Cc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(Cl)cc3Cl)cccc2[N+](=O)[O-])c1 409219671 OXWITWFGJQPBNO-ROTLSHHCSA-N 472.284 5.193 50 40 JKGB Cc1ccc(-c2ccc(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)o2)c(Br)c1 409234829 MXEIFRPKTSHYQL-VROXFSQNSA-N 482.161 5.853 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)cc2)ccc1OC 409316404 YSDWXERWHJTOSS-YSMPRRRNSA-N 483.362 5.199 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1cccc(F)c1 409391882 KDVFEWMPEXOBBL-IUXPMGMMSA-N 477.160 7.538 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N1C(=C(C#N)[C@@H]2c2ccccc2)NC(=O)c2c1sc1c2CCCC1 708333 LKWPSZVVMVKKHJ-NRFANRHFSA-N 455.583 5.352 50 40 JKGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3cccc(Br)c3)cs2)cc1 1791204 PIMKGXNJSYETSG-VCHYOVAHSA-N 452.377 6.242 50 40 JKGB Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 1888008 FHMGQXQEOHPENV-YDYXIROLSA-N 457.530 5.199 50 40 JKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(C(F)(F)F)cc(=O)oc4c3)n2)cc1 2318127 YATAHZQYSRLGSW-QGOAFFKASA-N 495.526 7.110 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3c(s2)CCCC3)ccc1OCc1ccc(Cl)cc1 2624618 SIBAXVLUJBXPRI-VULFUBBASA-N 454.979 5.632 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@@H](c3ccc(F)cc3)Nc3c(F)cccc3[C@@H]2[C@H]1Cl 13689295 VMVWNRGZUWPWQV-WWFBMYBLSA-N 472.944 6.912 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1sc2c(c1C#N)CCCC2 14151743 SVRYAUAHGUWMTR-UKTHLTGXSA-N 478.917 5.866 50 40 JKGB Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 15223258 ZXRTWHLEQZXFJS-FSGOGVSDSA-N 451.570 5.097 50 40 JKGB Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c3ccccc32)c1 16349401 VOVHSJQDNZOANS-JLPGSUDCSA-N 458.565 5.745 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)Nc1ccc(O)cc1 16525790 KGNVUJVKEXRDEN-CPNJWEJPSA-N 489.358 6.977 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1 20065025 XBQSMKCRZMTJIL-HSZRJFAPSA-N 497.979 5.276 50 40 JKGB Cc1ccc(N(Cc2ccc(C(=O)NN=C3CCCCCCC3)cc2)S(C)(=O)=O)cc1C 20232573 RQSOBUQDWIMVGJ-UHFFFAOYSA-N 455.624 5.100 50 40 JKGB CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1 26779588 IWEDNUGKLLLFGC-MSMNXAATSA-N 486.641 5.634 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSCc3ccccc3Cl)cc2)cc1 28213700 YHQPLWUQJQHHNI-MZJWZYIUSA-N 482.005 5.049 50 40 JKGB CCCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OC 33649749 RCDIVMTYTNPXRE-CEUNXORHSA-N 476.573 5.616 50 40 JKGB O=C(N/N=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc1)c1ccncc1 33922043 UDNWNLXEZVELTF-XTYFKDDUSA-N 479.971 5.855 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OC1CCCC1 36612695 YPLJEEFLBYALMM-HXUWFJFHSA-N 487.394 5.230 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(CSc2ccc(Cl)cc2)cc1 59473673 IOLLIVQMEFKAJQ-UXHLAJHPSA-N 487.024 6.975 50 40 JKGB CCCCCCCCCCCC(=O)NNC(=S)Nc1sc2c(c1C(=O)OC)CCC2 97944903 YMYWASHZBDTBSG-UHFFFAOYSA-N 453.674 5.262 50 40 JKGB Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(C)c3)N=C3CCCC(O)=C32)cc1 104076370 WSWLKOAVZCHJBT-RUZDIDTESA-N 457.599 6.253 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)c2ccc3ccccc3c2)c1 107692631 ZRZJGZXPEHSXFZ-MYYYXRDXSA-N 454.367 7.554 50 40 JKGB Cc1cc2c(cc1/C=N\NC(=O)COc1cccc(Br)c1)[C@@H](C)CC(C)(C)N2C 208209367 ISALLMIDKIQMTI-QQAHGDJHSA-N 458.400 5.009 50 40 JKGB C[C@H](CCC(=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 245241128 XNTZTQJAAZNSGD-XSALAFDMSA-N 453.461 6.089 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 408549409 SIAJDPMBVWKNFL-CEUNXORHSA-N 472.563 8.030 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408552956 SVEBXLKHWHBKHC-LICLKQGHSA-N 487.770 6.737 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccccc1Cl 408611200 QEMWSWOAZQTUMY-RPPGKUMJSA-N 476.747 5.315 50 40 JKGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1 408612986 YCWBPLACDYZYFB-RWPZCVJISA-N 479.964 5.023 50 40 JKGB N#C/C(=C\c1cc2c(cc1Br)OCO2)c1nc2ccccc2n1Cc1ccc(Cl)cc1 408720080 XHADYIKZYNUVEB-RQZCQDPDSA-N 492.760 6.293 50 40 JKGB N#C/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408755579 OQBYIMQTPRGTBF-OQFOIZHKSA-N 490.966 5.770 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1 408809495 ODRDGHWHKWHHNY-WOJGMQOQSA-N 497.776 6.236 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)cc2)cc1C 408810352 JMOCZFNINBSHCF-KGENOOAVSA-N 461.359 6.191 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1Cc1ccccc1Cl 408870469 FBNJWQBFUSXGMD-GIJQJNRQSA-N 485.798 7.100 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1Cc1cc(C)cc(C)c1 408879818 GXVKWQQHULZYES-CIAFOILYSA-N 460.961 6.198 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(OC)c2)cc1 408884997 WOOHWCUETLIOIS-HYARGMPZSA-N 458.489 5.147 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1c(Cl)cccc1Cl 408889875 KGFFCIHDKXKBDZ-LFIBNONCSA-N 497.334 5.825 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccccc1 408963055 LZRIXANGBXJVSF-XODNFHPESA-N 462.855 5.710 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cccc(C)c1 408963093 MMTVHLOCVKZSBC-VFLNYLIXSA-N 476.882 6.019 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 408996128 OFFQONZIMRWSJV-YKQZZPSBSA-N 455.533 5.505 50 40 JKGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)c2C)c1 409018550 WPHXNEFVZFCAHG-WKIKZPBSSA-N 463.921 5.353 50 40 JKGB Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)N/N=C\c3c(C)[nH]c4c(C)cccc34)c2c1 409036139 KYIRLARUPDQUNL-MNDYBZJGSA-N 466.972 6.726 50 40 JKGB C#CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OCC 409045982 QPGYELSVYKYLEM-RDRPBHBLSA-N 496.592 5.728 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(C(=O)O)cc2)cc1 409074787 ROERBABUIOGTRE-VCHYOVAHSA-N 497.334 5.825 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1OCC 409121028 VIDOQNBUVSQSQS-WYMPLXKRSA-N 455.407 5.564 50 40 JKGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 409134074 OPNXVUGRKDQNMC-OAQYLSRUSA-N 485.765 5.496 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)n1 409228250 WLGRREFKMZXFNZ-WKULSOCRSA-N 479.609 5.492 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1OC 409326467 KLWBHOZFPTZTDO-MBTHVWNTSA-N 470.928 5.619 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)c1C 409378375 OXGLZFKSHYAAII-UNOMPAQXSA-N 477.923 5.659 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1ccc(Cl)cc1 409391636 JAEWYJVYYDEVGC-NVMNQCDNSA-N 472.741 6.893 50 40 JKGB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccccc1Cl 1775511 BQKQLHVLPUSRBJ-SFQUDFHCSA-N 466.946 5.799 50 40 JKGB N#C/C(C(=O)N1CCCCCC1)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2365761 XUAYCJACQMRCOM-IQQNDYETSA-N 466.006 5.169 50 40 JKGB N#CC(C#N)=Cc1ccc(NC(=O)c2cc3cc(Br)cc(Br)c3o2)cc1 3180384 DMJVUEULADQBJJ-UHFFFAOYSA-N 471.108 5.641 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 8812711 NBVWSJIGPCTSJU-DHRITJCHSA-N 473.754 5.454 50 40 JKGB CC/C(=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc(O)cc1 9329433 UQCUHKSOAROSAE-DAFNUICNSA-N 494.667 5.712 50 40 JKGB CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1 12621442 IEZKWPJIXXCADC-OVGLXYEQSA-N 498.627 5.701 50 40 JKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 13688268 LQYKGCWHLUELAO-OYZFAQQFSA-N 453.567 5.368 50 40 JKGB O=C(N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1cc2cc([N+](=O)[O-])ccc2s1 34863979 XUCFMWLISCCECT-WKULSOCRSA-N 499.523 6.445 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)c1cccc([N+](=O)[O-])c1 35301940 GFURBDDJMPRHTF-NVMNQCDNSA-N 469.722 6.654 50 40 JKGB O=C(N/N=C/c1cc(/N=N/c2cccc3ccccc23)ccc1O)c1cccc(Br)c1 101098262 DLUNAOKDIOMLST-AFLDOIPMSA-N 473.330 6.487 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(O)CCCC3=N2)c(C)c1 102623022 IENFDRVTQKHCCF-DEOSSOPVSA-N 478.017 6.598 50 40 JKGB CC[C@@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C/C(=N/NC(N)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118929296 QWWXGNJMFCGJLT-SUUDLNKVSA-N 467.742 7.464 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1 207059019 FOMXPMJSZIQTCK-RHTHQAGFSA-N 451.353 6.357 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1cccc2ccccc12 408543156 PSDLGKVWRLODLT-UCQKPKSFSA-N 478.504 5.671 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)c(Br)c1O 408567523 OHFVGOHTMUAGJK-WTKPLQERSA-N 467.092 5.005 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1)c1ccc(Cl)cc1 408580867 SDDQMYYJAUKQNA-LDADJPATSA-N 467.750 6.184 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OC(C)C 408581653 YKVPGINPOACKCY-OVCLIPMQSA-N 451.158 6.072 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc(F)cc3)cc2-c2ccc(-c3ccccc3)cc2)c1 408723897 ABAMRHXURITJDF-UZWMFBFFSA-N 474.539 6.418 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(I)c(OC(C)C)c(OC)c2)cc1 408810892 UZCQHFNTXKXTFL-LICLKQGHSA-N 490.341 5.195 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccccc1Cl 408897507 XKWIEZYVAOMGMN-WKULSOCRSA-N 479.363 6.498 50 40 JKGB N#C/C(=C/c1cn(Cc2ccccc2F)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 408948351 FRKKAOPNPSLIDY-JCMHNJIXSA-N 462.528 5.576 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccccc1F 409246942 LMADOSCYBCJRCN-HAHDFKILSA-N 492.978 6.113 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)c1 409255987 MYHPRWYMWWNFQX-LDADJPATSA-N 480.351 5.865 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(C)cc1C 409267771 XNIZZSCOEAGQSS-UCQKPKSFSA-N 483.568 5.492 50 40 JKGB COc1ccccc1[P@@](=O)(CC[P@@](=O)(c1ccccc1)c1ccccc1OC)c1ccccc1 1580110 VQWBGASXMXZTEZ-KKLWWLSJSA-N 490.476 5.032 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)sc2c1CCCC2 2669760 HLHXOYUZROZWAS-LTGZKZEYSA-N 486.593 5.928 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccc(OC)cc3[nH]2)cc(I)c1OCC 9263587 QIPSEXFUJDSGGX-RIYZIHGNSA-N 489.313 5.038 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1cccs1 9334207 FTBMOGPGCOGTCX-BUVRLJJBSA-N 474.055 5.798 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)NCc1ccco1 9679180 HYPFXSJDORNYQX-LZYBPNLTSA-N 461.732 6.042 50 40 JKGB CC[C@@H]1CCc2sc(C(=O)N/N=C/c3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)cc2C1 13129612 RITHCOJJGZURNU-NXYZXBHKSA-N 467.522 5.867 50 40 JKGB C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 20157849 BSZRXYVXPKIHKN-UZWMFBFFSA-N 481.983 6.265 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccco1 20348579 UDLWSDAOVXJVTN-QHCPKHFHSA-N 477.586 5.002 50 40 JKGB N#CC1=C(N)OC2=C([C@@H]1c1cccc(Cl)c1)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12 20558542 IPAWYCOHYQAQTR-JOCHJYFZSA-N 493.947 5.006 50 40 JKGB COc1ccc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(F)cc1F 23375183 ZLWJFBBPVXPLIN-CJFMBICVSA-N 472.495 5.146 50 40 JKGB CSc1nc(C)c(C2=C[C@@H](c3ccc(Br)cc3)C(C#N)=C(N)S2)cc1C#N 25329112 SKPKRUMOENHEEF-INIZCTEOSA-N 455.406 5.311 50 40 JKGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1 33339021 YTAXLMYQAOXEEP-FXBPSFAMSA-N 476.488 5.391 50 40 JKGB C[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C\c1ccc(OCc2ccccc2)cc1 33632199 XZIRETCFMPCIMB-AHAGTPHESA-N 480.564 5.762 50 40 JKGB CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 35519133 VOABIACZGNGQSO-LFIBNONCSA-N 458.867 7.288 50 40 JKGB CO[C@H](C(=O)N/N=C(\C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2)c1ccccc1 58917336 FFYPURKZNPGNGM-BSJGBFMSSA-N 486.015 6.394 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1ccccc1 59116680 FVOKUSRSVFKXOR-LDADJPATSA-N 451.295 5.713 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OCc1ccccc1Cl 59272260 ZVULODHATWJYJN-PXLXIMEGSA-N 468.940 6.626 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Br)cc1 59297155 GFOJCOMRVWCFET-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 100195040 WIHVCVANLCVPEV-UKWGHVSLSA-N 473.363 6.581 50 40 JKGB O=P1(N2CCCCC2)N(Cc2ccc(Cl)cc2)CCCN1Cc1ccc(Cl)cc1 100359403 KQVUBRHQLZUVDV-UHFFFAOYSA-N 452.366 6.295 50 40 JKGB CC(C)C1=C[C@]23CC[C@H]4[C@](C)(C(=O)Cl)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@@]1(Cl)C(=O)OC(=O)[C@]31Cl 104116303 FDMRWYBACKCPHA-RCDVPULJSA-N 487.851 5.615 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@@H]1[C@H](c2cccs2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]12 110550314 KELPOQQQEFEIOE-DAUHHZGYSA-N 473.601 6.369 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(Br)c1OC 212422743 XJIVDXDUVVUTBV-MDWZMJQESA-N 480.156 5.165 50 40 JKGB Cc1ccc(COc2ccc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)cc2Br)cc1 408566996 JSIDPWLQNNPHIL-ZDLGFXPLSA-N 462.322 6.416 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1 408582206 MKGVIAUNPNARGV-CPNJWEJPSA-N 463.331 5.539 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccccc1Cl 408583000 QPROKZVOICQAPE-RGVLZGJSSA-N 484.379 7.052 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 408742794 PXPHZNCHRZBHBY-QNGOZBTKSA-N 479.496 5.735 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408794400 IEXTVJALGLCQJS-CPNJWEJPSA-N 467.352 6.517 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)cc1 408810434 KKUWIZOGLJPAKJ-NHDPSOOVSA-N 481.379 6.113 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 408811482 NTEXMMYVXOJVNL-XQNSMLJCSA-N 482.967 7.017 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1cccc(Cl)c1 408819959 ZSIFMQYDXQVPGE-WOJGMQOQSA-N 497.776 6.236 50 40 JKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)c1 408850704 CSKQUMNUHUYWSS-XDHOZWIPSA-N 465.322 6.021 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1cccc(C)c1 408850742 DOCWAOBCWRRUKP-MBTHVWNTSA-N 462.933 6.136 50 40 JKGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OCc1cccc2ccccc12 408879098 FLQHHIBDISBCHE-MUFRIFMGSA-N 474.944 5.610 50 40 JKGB COc1c(Cl)cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1Cl 408882998 PVULYFRCACOWHT-CCVNUDIWSA-N 479.448 6.386 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408900586 WJGSUSPRQFZVQA-LICLKQGHSA-N 491.334 6.450 50 40 JKGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\NC(=O)Nc2cccc(Br)c2)c1C 408911777 OMTPJLPZBPOXTF-MSXFZWOLSA-N 469.339 5.019 50 40 JKGB CC[C@H](C)n1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c2ccccc21 408937461 GPCGSAOVQKRKFK-RNWQYBCRSA-N 474.608 7.142 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 408982348 GOUPCAROQOGEIP-JCMHNJIXSA-N 487.943 6.410 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1nc2ccccc2o1 409046759 LTJROHJATIFFNK-UDWIEESQSA-N 471.343 7.931 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409052895 BGKMLCCHERPELY-GZTJUZNOSA-N 496.350 5.565 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1cccc2ccccc12 409130732 UMXGVIUNCNPBNM-MHZLTWQESA-N 465.553 5.157 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C 409256057 JJOQWSNJULJKKZ-FDVSRXAVSA-N 493.991 5.445 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 409266700 XTRXXTXCIHJURR-ODLFYWEKSA-N 494.378 6.173 50 40 JKGB COc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 409309836 NBNHUSPZJCCJIF-AFUMVMLFSA-N 463.577 7.034 50 40 JKGB COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)[nH]c12 409397148 GVWBYCJGHLBYJA-UHFFFAOYSA-N 479.492 5.420 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2cccc(Cl)c2Cl)nnc1-c1ccc(Cl)cc1 1834157 HMIWWJLRXLOGCC-AUEPDCJTSA-N 468.797 5.168 50 40 JKGB CC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccccc1F)N2 4063766 RQWJLQMHPALCFV-UXXDJHJKSA-N 496.991 6.975 50 40 JKGB COc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc1 9113545 NFGRRUGFSYWIQR-TURZUDJPSA-N 458.587 5.034 50 40 JKGB N#C/C(=C1\C(=O)Nc2c(Cl)cc(Cl)cc21)c1nc(-c2ccc(Br)cc2)cs1 12561968 OZCPWBAHFYCPFP-DTQAZKPQSA-N 477.170 6.266 50 40 JKGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)o1 14152057 LNFSNOLVVDCUJZ-LFIBNONCSA-N 457.511 5.311 50 40 JKGB CC1=C(C#N)[C@H](c2cc3c(cc2Br)OCO3)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1 19830870 OWXPKWRWIKFOSM-FATZIPQQSA-N 497.776 5.716 50 40 JKGB CO[C@H](C(=O)N/N=C/c1c(Br)c(C)n(-c2ccc(C)c(C)c2)c1C)c1ccccc1 20243810 RUPSIKXETPGBAW-XHEHIBSSSA-N 468.395 5.311 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c(C)n1-c1cccc(Br)c1 28216759 MGTDFJHCCKNSQE-MJDKSPQASA-N 470.436 5.629 50 40 JKGB Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1 33554692 XHNWDFRJWPUEPD-DXJNIWACSA-N 496.611 5.939 50 40 JKGB O=C(CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31)N/N=C\c1ccc(O)cc1 36038141 MSNZRLIJCGQZSO-GDMGRDRRSA-N 470.617 5.238 50 40 JKGB C[C@@H](Oc1ccc(/C=N\NC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1)C(=O)O 59249045 HIALRABNMSICAN-BAHAFAABSA-N 461.562 5.162 50 40 JKGB Cc1cc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc(C)c1Cl 67197009 WRXLJMXKQMAONQ-LUOAPIJWSA-N 450.844 5.765 50 40 JKGB O=C(N/N=C\c1cc(Br)ccc1OCc1ccccc1F)c1cc2ccccc2o1 83313333 OQHHXKINHOYEIZ-ZMFRSBBQSA-N 467.294 5.677 50 40 JKGB Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)o1 96835828 TUDCLACHNGBLFQ-MYKKPKGFSA-N 467.275 5.226 50 40 JKGB N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)Sc1nc2ccccc2s1 108047012 UFVZAGGLMHWLBL-XQNSMLJCSA-N 450.588 7.685 50 40 JKGB Cc1cccc(Cn2cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c3ccccc32)c1 109032168 PYOWJWHJBXQCKI-MZJWZYIUSA-N 468.538 5.885 50 40 JKGB N#C/C(=C\c1cccn1-c1cccc(Br)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 408555874 ZFZCZGWYEBWVJH-RVDMUPIBSA-N 477.387 5.597 50 40 JKGB Cc1c(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 408566165 DUGQHTUXYVIXAR-WKIKZPBSSA-N 481.339 5.977 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 408581941 JUZFEGZFLIQBCN-YBFXNURJSA-N 467.352 6.392 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 408592369 XXBSLCKAUZATSE-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)cc2Cl)cc1 408675777 ASVXKQBTIXFZBG-MUFRIFMGSA-N 482.411 6.245 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408773344 QQKXBSIRMVODGT-DICXZTSXSA-N 450.601 7.765 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc(I)c1OCC 408774038 VIINUFDCYBKSBD-YVLHZVERSA-N 490.341 5.251 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 408793266 DRIOQINAIZCPPR-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(Cl)c1 408798471 FKHAWJNQDNNMJX-KEBDBYFISA-N 481.379 6.744 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@@H]3C)c2C)sc2c1CCCC2 408805561 GQYCTHFQQCZEOU-WUSHTYBJSA-N 493.673 5.813 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408808297 DVCCSENFBHDLLS-JAIQZWGSSA-N 497.378 5.813 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OC(=O)c1ccccc1 408880794 IVSNVHBHECTWBG-XDHOZWIPSA-N 491.341 5.531 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1 408885898 GNTGVEXYWKPSOI-HAVVHWLPSA-N 494.522 6.280 50 40 JKGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c1C 409002364 NKDRNJXXSPJPHP-KWAQJPELSA-N 492.623 5.722 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCC(=O)Nc1ccccc1OC 409020917 VRKPAOBIJMDHBP-UXHLAJHPSA-N 497.551 5.029 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1Cl 409066407 OQGRPUUTDNNBJO-FOWTUZBSSA-N 473.337 5.307 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OCc1ccc(C)cc1 409074152 KMLBJBBDZZBTLC-HZHRSRAPSA-N 472.972 6.510 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409090753 PZCRWNNLVDFSBZ-GHRIWEEISA-N 497.429 6.350 50 40 JKGB COc1ccc(Br)cc1/C=N/NC(=O)CSCc1c(Cl)cccc1Cl 409125815 FYQFLKDBPHZYPA-ODCIPOBUSA-N 462.196 5.148 50 40 JKGB O=C(Cc1cccs1)N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12 409204013 BJFZHYDJIUJTPU-ZMOGYAJESA-N 452.377 5.206 50 40 JKGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2ccccc2)cc1 409217622 DSGRZYDDTYULCQ-BYECJWCPSA-N 475.932 5.071 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1cccc(C)c1 409243594 TWRRDOXXSQYCRG-VFOSSOBBSA-N 460.961 6.020 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1ccc(C)cc1 409392140 LKLVSZGWKLIKPX-NHDPSOOVSA-N 466.350 6.939 50 40 JKGB Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 1888088 UHILWYMWFDSVEH-YDYXIROLSA-N 473.985 5.713 50 40 JKGB N#C/C(=C/Nc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2cc3ccccc3oc2=O)cs1 2290065 XYELXMBCTBWVJM-RAXLEYEMSA-N 473.863 6.565 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)N3CCCCCC3)N(c3ccccc3)C2=O)cc1Cl 2370539 YWUDSZZMBDXOQB-CTHAODRQSA-N 480.033 5.477 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 3142642 YAZQIATTZMJRCF-RDRPBHBLSA-N 495.491 5.010 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1Br 9261973 WVZTUZILEYDZGF-ZMOGYAJESA-N 488.179 5.555 50 40 JKGB C[C@@H]1CCC/C(=N\NC(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)c2)C1 12622880 WKWZJTFCPXXFOU-GWKQSCENSA-N 454.379 5.090 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c(C)n1CC(C)C 12925003 BQLIESUPCNIFPV-QGMBQPNBSA-N 498.555 5.252 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(F)cc1 13388136 JCGGJHSUCRYETF-CPNJWEJPSA-N 461.449 5.257 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cn(Cc2ccccc2)c2ccccc12 13943633 WBWKEGCSLPXNKD-DXJNIWACSA-N 459.549 5.886 50 40 JKGB Cc1cc2c3c(c1)[C@]1(C(=O)N3C3(CCCCCC3)CC2(C)C)C(C#N)=C(N)OC2=C1C(=O)CCC2 14162364 FXXIEUHNLPMOGU-LJAQVGFWSA-N 471.601 5.085 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 20763839 OIRVISALRUGEAP-JFLMPSFJSA-N 478.346 5.062 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ccc3s2)c([N+](=O)[O-])cc1OC(F)F 22608603 VUXMICNRLBNIAN-ONNFQVAWSA-N 471.363 5.897 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1C 27018983 RGFBBSXTEIFLHC-CJLVFECKSA-N 464.525 5.229 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(-c4cccc(F)c4)o3)o2)cc1 33591747 CNXXYNBTJFABKH-LJUMEUDFSA-N 497.526 6.429 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 107632586 RNATVMFDBURRPD-GRSHGNNSSA-N 477.904 5.647 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 107861036 BJAWHIHLPXLUKV-RGVLZGJSSA-N 492.406 7.528 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 209386961 QZYLIDFLMWQFMX-LCYFTJDESA-N 462.130 6.562 50 40 JKGB N#C/C(=C/c1c(OCc2ccccc2C#N)ccc2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 408544158 VGRIUDZAYFYTIV-HAHDFKILSA-N 473.488 5.534 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1Br 408544572 UXHPIRCINQIJBY-AUWJEWJLSA-N 451.114 5.373 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1 408583588 VPBZVWBIAYSOJK-VCHYOVAHSA-N 489.196 7.408 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1 408585399 CVRAMBGIKMMZRJ-WQRHYEAKSA-N 459.170 7.399 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(-c2ccccc2)cc1 408761320 DPDHNMSPQIOTRH-LFVJCYFKSA-N 496.408 7.069 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccc(C)c(Cl)c2)cc1 408768556 YFQAUUSEOXNMDB-LQKURTRISA-N 498.048 5.426 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)c(C)c1 408791693 AZOVKEYEJHSWBD-CIAFOILYSA-N 460.917 5.780 50 40 JKGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408805673 BPSNAQHTOZMDLP-NPIHHHOKSA-N 466.412 6.598 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 408819281 PTBKNMADLCXGIB-HMAPJEAMSA-N 476.960 5.550 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)ccc1OCc1cccc(C(=O)O)c1 408851270 ATSXITHBPZYGCD-JAIQZWGSSA-N 453.416 6.055 50 40 JKGB O=C(N/N=C\c1cc(Br)ccc1OCc1ccccc1Cl)c1cc2ccccc2o1 408855971 OZINHZPKWJHQQE-ZMFRSBBQSA-N 483.749 6.192 50 40 JKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)c1 408867663 MDJGLAAXDMKXQU-SRZZPIQSSA-N 468.906 7.112 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1Cc1ccccc1Cl 408880116 FUXSQYAQBMKKNE-XDHOZWIPSA-N 455.772 7.092 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2F)ccc2ccccc12 408886338 GIKSJRLAXIBJQS-RCCKNPSSSA-N 470.931 7.065 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)c(OCC)c2)cc1 408897512 XLHSIGSBDBGNRZ-LFVJCYFKSA-N 470.569 6.226 50 40 JKGB CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OC 409015387 MTMUWMHFKHAYIT-YVNNLAQVSA-N 451.704 5.020 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12)C(=O)Nc1ccccc1 409041160 IQYOZWOXGKZLID-FYJGNVAPSA-N 473.359 7.271 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 409073228 GDWPXFZIOZVKCW-PXLXIMEGSA-N 480.524 6.241 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OCC)c1OCc1ccccc1Cl 409188960 LNWXBMOFBMGZTK-JCMHNJIXSA-N 464.993 6.012 50 40 JKGB O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc(CSc2ccc(Cl)cc2)cc1 409342333 BPSVXRPJMTXFRR-UHFFFAOYSA-N 464.034 6.014 50 40 JKGB O=C(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1c(Cl)nsc1Cl 1505839871 LNHGLWTWSFYSAK-UHFFFAOYSA-N 457.322 5.768 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)c1C 2234709 LYRKNPHBYOWECM-VECHRTTRSA-N 488.012 6.022 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1C 2316417 AFZXSLDFEZPUFE-NLRVBDNBSA-N 483.593 5.975 50 40 JKGB Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 2405376 NMDMTJDDMPTDPX-QPSWJSTDSA-N 491.975 5.853 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)c(C)c1 2673092 WHKISJCDRBBMJS-OVVQPSECSA-N 497.620 6.283 50 40 JKGB COc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1 8400428 UDEXJQUOSYONJO-RUZDIDTESA-N 485.565 5.239 50 40 JKGB CC(C)c1ccc(-c2cc(C(=O)NNC(=O)NC34CC5CC(CC(C5)C3)C4)c3ccccc3n2)cc1 8454363 GSLBKIDYSXQYLL-UHFFFAOYSA-N 482.628 5.938 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 9204047 VPLIKMNDVKIIFK-WYMPLXKRSA-N 489.757 5.111 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccc(C)cc1 9324174 LGDCWGPESYDDSE-JFLMPSFJSA-N 473.485 5.391 50 40 JKGB O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)[C@H](Br)Cc1ccccc1 11692872 CMLJHXNCPGCMTC-QGZVFWFLSA-N 480.225 5.441 50 40 JKGB CCOc1ccccc1N1CSC2=C(C#N)[C@H](c3cccc(OCc4ccccc4)c3)CC(=O)N2C1 12251031 IKKRDXHOGMNVNW-DEOSSOPVSA-N 497.620 5.884 50 40 JKGB O=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccc(COc2cccc3cccnc23)cc1 12564851 RMLSKYPNHPKZIO-UHFFFAOYSA-N 485.587 6.385 50 40 JKGB CC(C)(C)C1CCC(=NNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)CC1 14185969 OGNLYDBKDBQOKV-XGCAABAXSA-N 463.647 5.783 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cc(C(F)(F)F)ccc1Cl)C(N)=C(C#N)[C@H]2c1ccccc1 15162698 ZBMSHRIBUJQDNP-OAQYLSRUSA-N 471.910 6.300 50 40 JKGB CN(c1ccccc1)c1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 15980701 ZWOGBNJSFHDZNZ-LFIBNONCSA-N 467.312 6.215 50 40 JKGB Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cccc4ccccc34)cc2)S(C)(=O)=O)cc1C 20059255 HEOAAUMMKNBTTH-RDRPBHBLSA-N 485.609 5.187 50 40 JKGB COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C/c1c(C)nn(-c2ccccc2)c1C 20294530 JXTWNRNQWWITLN-XSFVSMFZSA-N 482.565 5.550 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 59333212 YFPGRCFHCHXIIS-HFTWOUSFSA-N 496.614 6.099 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1Cl 59335876 KBSMIKDMVXGJRP-UVTDQMKNSA-N 499.266 6.148 50 40 JKGB COc1cccc2cc(C(=O)N/N=C/c3ccc(OCC(=O)Nc4ccccc4F)c(Cl)c3)oc12 107766995 TZMKYQJQQLRZLJ-XODNFHPESA-N 495.894 5.015 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 108090237 ROSQSWIUPANLJX-ONUIUJJFSA-N 475.973 6.150 50 40 JKGB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)C#C[C@H](C)C(C)C)CC[C@@H]4[C@@]34CC[C@]2(C1)OO4 257349687 QICKSUTUHBCJRE-QLLKKXCQSA-N 470.694 6.716 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)c2C)cc1 408552862 LDVDGWIZHKQDOP-XSFVSMFZSA-N 470.598 5.851 50 40 JKGB Cc1c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 408566699 AYIWOPLAVCHJRF-YVLHZVERSA-N 475.354 7.384 50 40 JKGB Cc1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1 408742550 PRHPMTRJJQLYBP-WEMUVCOSSA-N 455.561 6.884 50 40 JKGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 408758833 SEGKOQMEBIKSCW-UYRXBGFRSA-N 473.916 5.106 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 408781455 ALUIZJYDQSKOII-ZHZULCJRSA-N 495.410 5.783 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1C#N 408793890 GNKMNCBNKNOXJW-ZVHZXABRSA-N 451.526 5.699 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)cc1 408888876 CFGCAAZZMGXXCN-PXLXIMEGSA-N 479.492 5.881 50 40 JKGB O=C(N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1ccc2ccccc2c1 408925191 QKXMAUWXMZYTJU-KEIPNQJHSA-N 480.567 7.489 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc2c(c1)OCO2 408985739 YGJGAYFUCCDIBF-RGVLZGJSSA-N 490.943 5.901 50 40 JKGB Cc1c(-c2ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c3ccccc3Cl)o2)cccc1[N+](=O)[O-] 409170671 WFCLQGADBVKLOA-XYGFXTTESA-N 496.951 5.111 50 40 JKGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Br 409208873 AQAONUWFASNRKA-XIJPWPHISA-N 455.805 5.522 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 409214616 YPIUYBVERWRTAZ-IUXPMGMMSA-N 489.742 7.207 50 40 JKGB Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1 409225494 QGGSAQUOPBHCDU-UHFFFAOYSA-N 477.520 5.230 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Cl 409255552 HWNRLCNRUHVUHK-ZMFRSBBQSA-N 456.329 5.083 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1C 409256147 JXSRUHJJFBUYNE-XDHOZWIPSA-N 475.932 5.220 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1c(C)cc(C)cc1C 1002716 OTTOAMFYDCEBFD-SANMLTNESA-N 472.585 5.650 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(O)c(Br)c2)c2ccccc2n1Cc1ccccc1 1433691 MMZVUEFJLKUPHP-VULFUBBASA-N 462.347 5.230 50 40 JKGB O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)N/N=C/c1c2ccccc2cc2ccccc12 1794727 ZRHFEJLTSLLUPA-RWPZCVJISA-N 464.352 6.169 50 40 JKGB CC(C)c1ccc(-c2cc(C(=O)NNC(=O)Nc3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1 2105310 DDRSQIZKBIVJKQ-UHFFFAOYSA-N 493.394 6.799 50 40 JKGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccc(C(C)C)cc1 2310793 OATFRVKDUYMCGM-DHIUTWEWSA-N 477.586 5.068 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc(Br)c(Br)o1 3185323 NYWOKLPATOVDRE-SSDVNMTOSA-N 478.140 5.001 50 40 JKGB Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccccc5)cc4)CC(=O)N3C2)cc1 12251054 QXZTUGHCNUAOAK-RUZDIDTESA-N 467.594 5.794 50 40 JKGB N#Cc1cccc(COc2ccc(Cl)cc2/C=N/NC(=O)c2ccccc2Br)c1 20760673 NZVRQHZICAGQHK-LGJNPRDNSA-N 468.738 5.317 50 40 JKGB CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC 59474990 LTOCXQHDJMMLGA-WQRHYEAKSA-N 457.368 5.799 50 40 JKGB O=[N+]([O-])c1ccc(N/N=C/c2ccccc2OP(=O)(c2ccccc2)c2ccccc2)cc1 100135758 NHGGHPXCPAMTJK-LGUFXXKBSA-N 457.426 5.349 50 40 JKGB CCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1 100987676 KNKVXHCMLJYKCY-JJIBRWJFSA-N 473.642 6.937 50 40 JKGB COc1ccc(/C(C)=N/NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c(O)c1 102979529 GIWZVGTXOKWVAE-CVKSISIWSA-N 463.584 5.457 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccc(Br)cc3)c2)cc1C 408567030 KGKBEWIBUFUUPT-CVKSISIWSA-N 451.364 5.338 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)c2ccc(Cl)cc2Cl)c1 408581189 UWSYMNDXVQWGDG-LICLKQGHSA-N 471.771 7.037 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc2ccccc12 408581229 VGHXSHIOIYDYHT-LPYMAVHISA-N 460.360 7.798 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1 408583719 XBDKOJZEIIIUPJ-VXLYETTFSA-N 497.378 6.401 50 40 JKGB CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)ccc1OCc1ccc(Cl)cc1Cl 408691663 KSRGXLKIGNJOSQ-ODLFYWEKSA-N 478.379 6.928 50 40 JKGB C/C(=N\NC(=O)CSCc1ccccc1Br)c1cccc(NC(=O)c2ccccc2)c1 408719605 HDBUOHHMHVQEFV-WPWMEQJKSA-N 496.430 5.475 50 40 JKGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)cc1 408745818 PILVGGONGWZIGQ-UNOMPAQXSA-N 481.777 6.536 50 40 JKGB N#C/C(=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408756419 RTLPOLHXBPTQLQ-WJDWOHSUSA-N 463.324 5.994 50 40 JKGB CCOc1c(Br)cc(/C=N/NC(=O)c2cccc(Cl)c2)cc1Br 408766352 UPHBCHCBSPIACA-AWQFTUOYSA-N 460.553 5.028 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(F)cc1 408792620 BJRUWZQITLHODM-YBFXNURJSA-N 495.348 6.030 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 408807778 ORIPZONZSOTSPG-MDWZMJQESA-N 457.269 5.506 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(O)(c1ccccc1)c1ccccc1 408813097 FBKFLDBBKKDXCV-BIZUNTBRSA-N 493.994 5.729 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1Cc1ccccc1Cl 408869848 UIRFHMYADORZRF-XDHOZWIPSA-N 495.804 6.638 50 40 JKGB Cc1sc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)c2C)c(C#N)c1C 409016896 AZDFPPOQTWUURR-RAWMCFOBSA-N 450.951 5.808 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccc(O)cc1 409088699 XMFMZERGLGKEBC-NTEUORMPSA-N 480.820 5.200 50 40 JKGB CN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C2=C1CCCC2=O 409129339 JIIKXKPHFVXMDC-QFIPXVFZSA-N 454.357 5.302 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1O[C@H](C)CC 409237004 ULCPBMSSTHRXEU-KKQVRFOCSA-N 471.395 5.809 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(I)cc1)c1cccc(F)c1 409393591 RAAICGWBPTZARK-UNOMPAQXSA-N 455.270 6.073 50 40 JKGB CCN(CC)CCCNc1cc2nc(C=Cc3ccc(C(C)C)cc3)n(CCCl)c(=O)c2cc1F 2362803285 WTSYRNAZXPASJF-UHFFFAOYSA-N 499.074 6.212 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(C)cc2)cc1 935060 ZQVIIXFXQRKCMZ-FYAMCCBRSA-N 498.564 5.277 50 40 JKGB Cc1ccc(C(=O)NN(C(=O)Nc2ccc(Cl)cc2)c2nc(-c3ccc(C)cc3)cs2)cc1 1415228 UREODUSWCRSBEB-UHFFFAOYSA-N 476.989 6.464 50 40 JKGB O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(OC(F)(F)[C@H](F)Cl)cc1 1795237 DSZQXKIFWWHAOJ-PBHICJAKSA-N 498.832 5.653 50 40 JKGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 3206201 HIOQPZYZJRYHCF-CXUHLZMHSA-N 457.386 5.652 50 40 JKGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 3232195 PRAXDCVDIKBYGC-AWNIVKPZSA-N 452.135 5.866 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 6600423 JFATVSYTBGOEJO-VULFUBBASA-N 487.781 5.844 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1cccnc1 9186743 SRDDNKOEPIOMMV-IWIPYMOSSA-N 465.629 5.011 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccccc2Br)c2ccccc2n1Cc1ccc(F)cc1 20760536 NWZKNTMDBGGIRZ-MZJWZYIUSA-N 464.338 5.664 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc2ccccc12 59291913 VQWKKXHUIARLBW-KGENOOAVSA-N 473.359 7.271 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccccc1C#N 107640764 RQJGMGCMGQJPFX-ZMFRSBBQSA-N 464.952 7.407 50 40 JKGB CC[C@@H](C)Oc1c(I)cc(/C=C(/C#N)c2ccccc2F)cc1OC 107964908 HXGBCXRQGDUWMG-MLJKTZRHSA-N 451.279 5.680 50 40 JKGB Cc1ccc(Cn2cc(/C=N/NC(=O)c3cc(Br)ccc3O)c3ccccc32)cc1 408565979 CSAXZIALMZLUPK-LGJNPRDNSA-N 462.347 5.230 50 40 JKGB COc1c(Br)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Br 408568901 XJOAARUILARBGX-WMZJFQQLSA-N 451.093 5.300 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1OC 408583453 USOLLKPSDYJBDO-RGVLZGJSSA-N 494.341 5.808 50 40 JKGB CCc1cccc(CC)c1N1C[C@@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O 408653957 QFIJLQMGAWRUNP-PZJWPPBQSA-N 476.400 5.241 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc(Cl)c(Cl)c1 408738125 OXXFDVXWTCMWBJ-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c(C)n1-c1ccc(C(C)(C)C)cc1 408773447 RGIFMIJGYFBCEA-GSJBQGPLSA-N 462.601 5.599 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408788557 LCTUGSPMOHHTBM-XIEYBQDHSA-N 478.523 6.529 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc2ccccc2c1 408792289 ALRLWONPAXDPDD-YDZHTSKRSA-N 479.492 5.881 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1 408801259 UKRMJKTVSHNOFU-HYARGMPZSA-N 474.944 5.950 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1 408812536 MARBNDIEBGAFPR-KGENOOAVSA-N 487.512 5.435 50 40 JKGB C=CCOc1c(Br)cc(/C=N/NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1OC 408865238 BYURZWRPMJIQLT-WQFUQUMYSA-N 484.177 5.493 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2Br)c(C)c1 408866983 JJFRPKBJZFWIGZ-FYJGNVAPSA-N 479.805 6.856 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1 408877834 XGBQSHKTDSDXFI-CIAFOILYSA-N 492.959 5.168 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3ccccc3F)c(OC)c2)cc1 408881672 JXVGVIQNAKMGGT-UDWIEESQSA-N 492.934 5.801 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)c(OC)c2)cc1 408885094 XGCBKTKQJNZYKC-OEAKJJBVSA-N 470.525 5.223 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1 408891240 NILJFTRXYHKRSG-YBFXNURJSA-N 477.904 5.690 50 40 JKGB Cc1c(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)sc2ncnc(N)c12 408973728 QGPIEJKOORMOQY-HIUVJMHLSA-N 486.384 5.232 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 408981341 ALSJVLIDVKRYQF-HMAPJEAMSA-N 477.391 7.155 50 40 JKGB O=C(N/N=C/c1ccccc1C(F)(F)F)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 409004831 FCTNHWMVWDBAKI-KKMKTNMSSA-N 472.294 5.015 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 409229698 SZUMKDHXHZYORG-MUXKCCDJSA-N 475.347 5.803 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4cccc(F)c4)c(OC)c3)[nH]c2c1 409393693 ZBOODDKAMOAKHJ-IUXPMGMMSA-N 463.896 6.016 50 40 JKGB N#CC(C(=O)COC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1)=C1Nc2ccccc2N1 3279212 ABMLMFBBUWNCHR-UHFFFAOYSA-N 490.859 5.039 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1 9057324 AMFCZQLQROZLBI-XDHOZWIPSA-N 492.329 5.790 50 40 JKGB Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4Cl)N(c4ccc(C)cc4)CN3C2)cc1 12250575 INOFWLMGEXWWTK-AREMUKBSSA-N 473.045 6.681 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c(C)n1-c1ccc(Br)cc1 13339919 XXCIDUZTOQDSGH-LDADJPATSA-N 464.319 5.101 50 40 JKGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 20248663 FYJUZCIWUXZQTL-MZJWZYIUSA-N 493.843 6.858 50 40 JKGB CC(C)N1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 20528783 RZGCUOJSWGLQEA-HZUJZGFBSA-N 452.385 5.863 50 40 JKGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C(C)(C)C)cc2)c(OCC)c1 27562969 XOJHIGXYINHDQT-HEHNFIMWSA-N 479.573 5.617 50 40 JKGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 28214169 QUWFKCRVULTEHS-YMTKMWQUSA-N 496.032 5.227 50 40 JKGB CCOc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)ccc1OC(=O)c1ccccc1Cl 30833228 RABRPGKEZVKVRV-VYYCAZPPSA-N 487.339 5.140 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 59447320 ZYYKMHHVFXLUAL-OCSSWDANSA-N 488.971 6.000 50 40 JKGB CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC 59474924 CCNZUVGGTVOXQL-WQRHYEAKSA-N 457.368 5.799 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1 59536234 AJKOPVVUQRUGDD-XDHOZWIPSA-N 460.364 6.851 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 107683232 PXHWRGXLDVBPFU-WKULSOCRSA-N 479.363 6.498 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccccc1OCc1cccc2ccccc12 408535272 YGEISCQXXIJHSH-KPGMTVGESA-N 477.486 6.000 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)cc1 408745401 RNAGSGNBNSWNMZ-HKWRFOASSA-N 466.497 5.542 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)c2C)c1 408746467 ZJYPGNZBJAKXPZ-JCMHNJIXSA-N 493.523 6.044 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)ccc1OCc1cccc2ccccc12 408758218 HQIISMBLEHSINM-MTDXEUNCSA-N 498.582 7.516 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Br)c2)c1C 408794478 SIXPGKYQSRJREP-UDWIEESQSA-N 479.349 6.330 50 40 JKGB C[C@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1 408798300 VQQDVPDXNSILMI-SXZORUHJSA-N 459.933 5.142 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(C)c1OCc1ccc(Cl)cc1 408850927 GLTCGXBZHJLCED-UVHMKAGCSA-N 457.357 5.718 50 40 JKGB O=C(N/N=C\c1cc(Cl)cc(Br)c1O)c1cc2cc(Br)ccc2o1 408851472 ZSEBPIPPKQYCNY-SCDVKCJHSA-N 472.520 5.081 50 40 JKGB Cc1ccc(COc2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc2Br)cc1 408853836 YBSQJRVHMVWTBR-WGARJPEWSA-N 463.331 5.847 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 408889947 LOKAQAXPUMRTAV-SFQUDFHCSA-N 477.860 5.022 50 40 JKGB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)o2)c([N+](=O)[O-])c1 408898846 NDULSMAYKFQKMO-XYOKQWHBSA-N 458.257 5.716 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccc(Cl)cc1 408965757 IJITXXWDCMTRKS-KVSWJAHQSA-N 472.303 5.356 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCc1ccc(Br)cc1 408976911 HAHFGVOTEWHQKC-YBFXNURJSA-N 466.335 5.097 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cn(Cc2cccc3ccccc23)c2ccccc12 408981581 BTZRMRCMEZVABD-KQWNVCNZSA-N 475.979 7.350 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1 409048086 RECXGMFHXFVUQC-XSFVSMFZSA-N 489.959 5.610 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1OCc1ccc(C(=O)O)cc1 409183640 FEDZOOQACBFTAL-UNOMPAQXSA-N 462.889 5.171 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccc(F)cc1 409191005 YDMGRNAJBRKYEV-WQRHYEAKSA-N 487.369 5.532 50 40 JKGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 409226779 WWACQSUJRIJIBM-PPDIBHTLSA-N 491.809 5.250 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccc(Cl)cc1 409365293 QLTADLBBPFYBBS-OCKHKDLRSA-N 468.336 6.764 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1Cl 956033 SWRSOXXWYLEYLB-PXLXIMEGSA-N 482.971 5.815 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)c1ccc(F)cc1 1068852 LPBDBKDEOWLPKB-LDADJPATSA-N 451.295 5.670 50 40 JKGB C[C@H](Br)C(=O)[C@@](CCN(C)C)(c1ccccc1)c1ccc(Br)s1 1594086 NEOBPZJCEAMOKD-UGSOOPFHSA-N 459.247 5.101 50 40 JKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)cc3C(=O)c3ccccc3)n2)cc1C 1773522 KDEABLYCVUNMPY-RCCKNPSSSA-N 469.997 7.288 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 2357883 QAZQYKOOZIKBJT-NSKAYECMSA-N 457.235 5.801 50 40 JKGB Cc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)n1-c1ccc(F)cc1 2730258 UETWLEQCBZIQRW-KCSSXMTESA-N 491.651 6.617 50 40 JKGB COc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1CSc1nc2ccccc2o1 8873238 FEXIBVPEONXTBW-VULFUBBASA-N 465.962 5.475 50 40 JKGB O=C(NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1)C12CC3CC(CC(C3)C1)C2 9354584 CRUZRFRCDPDLBZ-UHFFFAOYSA-N 477.406 5.719 50 40 JKGB CCOc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)CCl)[C@@H]3c2ccc(OCC)cc2)cc1 13305137 KOZISSCPCOFRQW-UBBTUAOMSA-N 452.982 5.846 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC 33659333 SNLOEJBFWXHYPC-QGOAFFKASA-N 487.394 6.058 50 40 JKGB N#C/C(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 59117375 IQHUBGXHZZCNEZ-XNTDXEJSSA-N 492.189 7.425 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117535 LUIJTXDRJBGNNL-MHWRWJLKSA-N 471.727 6.412 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1OCc1ccccc1Cl 59255008 VKXFQIUMZVSJSH-GZTJUZNOSA-N 498.322 6.035 50 40 JKGB CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC 59483571 ZZTJSGROSNYJIB-NTEUORMPSA-N 496.732 5.288 50 40 JKGB COc1cc(Cl)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1O 96499092 OPIIIHBSASMYPB-NTFVMDSBSA-N 459.933 5.584 50 40 JKGB COc1ccc(/C=C/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1 107780553 SDEWOFWCFKCDRO-PTHMBGOSSA-N 469.541 5.704 50 40 JKGB C[C@H]1CC(C)(C)N(Cc2ccccc2)c2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc21 245240071 KWNIYDVNWWUOLZ-PPHZAIPVSA-N 481.640 6.430 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 408530112 LEAMYIIGHYBBPQ-VFLNYLIXSA-N 461.871 5.500 50 40 JKGB Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 408570336 UEWHFQIFQHYXTI-HMAPJEAMSA-N 480.518 6.892 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(Br)cc1 408580622 QAIFHUCQVDYTBI-LICLKQGHSA-N 489.196 7.408 50 40 JKGB N#C/C(=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccc(Cl)c(Cl)c1 408585496 GDKBSFARXLKPNR-HYARGMPZSA-N 453.372 8.214 50 40 JKGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 408607481 DFQYPZPYPIAACE-WKULSOCRSA-N 498.410 5.786 50 40 JKGB CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)cc1 408754068 IIGDKNWZVNPAIW-JCMHNJIXSA-N 476.418 6.745 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2Cl)c1 408790746 YEDBPVPHJNLICY-SRZZPIQSSA-N 465.380 7.043 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc2ccccc2c1 408796332 NSKVXHXLAXBHRO-BUVRLJJBSA-N 464.521 6.069 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 408796524 PFARAIVXZNRRPK-DEDYPNTBSA-N 495.804 6.790 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 408796601 APQRMJPGCLMFGG-XSFVSMFZSA-N 461.993 6.599 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(F)cc1 408796951 ZQMLOQDKMZSJCV-GIJQJNRQSA-N 485.342 6.574 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 408801884 WKEVTJCTHMNGNM-LICLKQGHSA-N 468.296 6.026 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1cccc(Cl)c1 408817142 VJEUBDPOPFQABH-SRZZPIQSSA-N 495.406 7.134 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 408824425 QERPLPRTRHGWGD-MNOULKQQSA-N 495.406 6.755 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1Cc1cccc(F)c1 408879722 CQZKHGNKEIHWRT-SRZZPIQSSA-N 462.952 6.631 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1cc(C)cc(C)c1 408890331 RNDXZSYMMKJEIB-OEAKJJBVSA-N 489.413 6.753 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408891483 RGFDOQPUENPZRX-YRNVUSSQSA-N 473.228 5.615 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cccc2ccccc12 408891629 UDTWZBSLHODQEH-OGLMXYFKSA-N 483.480 5.130 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1 408897145 WEPZGMFDGIXCFT-GHRIWEEISA-N 487.364 5.615 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(Br)c1OCc1ccccc1 408981081 YWWMKYXEKZIKNA-VXLYETTFSA-N 466.335 5.097 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12 409023569 HAUJDRKORDVXHC-KYHGBAKBSA-N 479.511 5.635 50 40 JKGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)c(C)c1 409048888 XPZASEWOLCHDEL-MNBJERMJSA-N 489.531 6.021 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccncc1 409149358 CPENRYUFSACMFA-OPEKNORGSA-N 479.161 5.494 50 40 JKGB Cc1ccsc1/C=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1 2697718 KEWZZFODTARDHU-SSDVNMTOSA-N 470.670 5.596 50 40 JKGB N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 2888311 QXDIIYINWPFALC-YDYXIROLSA-N 491.975 5.222 50 40 JKGB COc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Cl)c1OCCOc1cccc(C)c1 4207686 GUBSDOBGDSZTPA-WGOQTCKBSA-N 453.926 5.270 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C)NC3=C2C(=O)CC(C)(C)C3)cc1 13174457 IAZBTHHEQGNXNU-RUZDIDTESA-N 487.625 5.441 50 40 JKGB CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1 13715159 IWEDNUGKLLLFGC-YPKVGQCMSA-N 486.641 5.634 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1F 14151962 AXVHJZMZFHGBKV-XDHOZWIPSA-N 487.556 5.771 50 40 JKGB CC(C)c1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1 16575763 ZNOBCYZKLDIGRN-CVKSISIWSA-N 464.363 5.589 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1cccc(Br)c1 28216336 DYGUVXMILRYHAP-OPEKNORGSA-N 495.204 5.693 50 40 JKGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 59336262 JWLUOTMCZZWHFB-JYRVWZFOSA-N 480.145 5.322 50 40 JKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(CSc2ccc(Cl)cc2)cc1 59473790 UHZLXWUYKSYPMC-FDAWAROLSA-N 481.020 7.703 50 40 JKGB CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 59474923 NRSCQHNHIDRXJQ-YVLHZVERSA-N 490.341 5.251 50 40 JKGB CCCCS/C=C(\NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 105969456 XJJUYJBIIHFLLH-QCWLDUFUSA-O 496.636 6.743 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1Cl 408581610 JONFISVZOIFZJM-UDWIEESQSA-N 454.353 7.044 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)ccc1OCc1ccc(Br)cc1 408583959 YXXVZODRRWVRQO-KGENOOAVSA-N 464.359 6.500 50 40 JKGB O=C(NNc1ccc(OCc2c(Cl)cccc2Cl)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408603274 GCUXKQCMYPFAQZ-HNNXBMFYSA-N 488.346 5.208 50 40 JKGB O=C(N/N=C/c1ccccc1F)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 408727882 YNSWWPSVYWWKMR-AJBULDERSA-N 460.512 6.109 50 40 JKGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1C 408765012 VVSVDAPXTFLZNI-ODLFYWEKSA-N 478.346 5.409 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 408765300 VHFNCGRQNJQLGM-GHRIWEEISA-N 487.364 5.615 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408781958 DWAFHEZALBOXTH-ZDLGFXPLSA-N 467.308 5.816 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(O)cc1 408790618 XIYKPYGDWPXXHU-GZTJUZNOSA-N 467.294 5.418 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccccc2Cl)c2ccccc12 408801264 UMFRMNOVCSTQLS-CPNJWEJPSA-N 490.390 6.859 50 40 JKGB COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1 408822466 CBOXRFRUGIXMJI-LDADJPATSA-N 497.776 6.236 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1 408827549 KKSRULQRCFSZQS-WKULSOCRSA-N 479.363 6.255 50 40 JKGB N#C/C(=C\c1ccccc1Cc1ccccc1Br)C(=O)Nc1ccc(Cl)cc1 408870887 WABLGMGWJVZLRQ-XMHGGMMESA-N 451.751 6.239 50 40 JKGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c1 408873344 UADCEYJWBIDVGZ-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(Cl)c2)cc1 408876212 JYXQQSVVHCUFSB-XDHOZWIPSA-N 481.777 6.248 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 408878681 CTDSKZRIXYKMOW-DEDYPNTBSA-N 491.931 6.080 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OCc1cccc(Cl)c1 408884021 VPMMZOKVCTXELZ-LICLKQGHSA-N 487.770 6.780 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)sc(C)c1C 408984890 UCEDAGYMKUUYPO-JAIQZWGSSA-N 496.032 6.457 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Br 409049669 XQZOMYDXDVPEKZ-RIYZIHGNSA-N 466.129 5.973 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)c(Cl)c1 409128492 IJUCSLPKXFOHIZ-JOCHJYFZSA-N 471.340 5.396 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 409209827 JFBDRGNDYZIKMR-JLPGSUDCSA-N 467.500 6.785 50 40 JKGB CCOc1c(Cl)cc([C@H]2C(C#N)=C(SCc3ccccc3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409332744 HZAIEVWQUZGTLB-OALUTQOASA-N 491.396 5.063 50 40 JKGB N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@H]1c1ccc(Cl)cc1 2147912 WNUYVGYBPAQSLC-NRFANRHFSA-N 471.010 6.722 50 40 JKGB Cc1cc(-c2n[nH]c3c2[C@@H](c2c(C)nn(-c4ccccc4)c2Cl)C(C#N)=C(N)O3)c(C)s1 4167867 PUUURLLNTVWUMK-GOSISDBHSA-N 462.966 5.121 50 40 JKGB CC(C)(C)[C@H](Br)C(=O)NCCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 8733046 TXXJFHAUYBOIDY-DRQCUQGNSA-N 475.471 5.409 50 40 JKGB Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)cc1 8781837 VYDZKSZTVAGKQZ-VEILYXNESA-N 475.573 6.339 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Cl)c1OCc1ccc(C)cc1 8811161 VLNLALLYOXRRRS-RWPZCVJISA-N 482.964 5.407 50 40 JKGB C=CCc1ccccc1OCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC 8860823 WCSLPMBTCWSZIL-PTGBLXJZSA-N 454.526 5.427 50 40 JKGB O=C(N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2cccc3ccccc23)cc1)c1cccnc1 9308371 WAPZXPYHUXWSQN-LIYQASSCSA-N 495.586 6.354 50 40 JKGB Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)C(=O)Nc1ccccc1Oc1ccccc1 12617609 HWYNTHCPDKDYGY-KNTRCKAVSA-N 454.917 6.172 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3cccc(Cl)c3)c3ccccc23)cc1 20198101 PNSMHDISKBCSBW-STBIYBPSSA-N 459.977 6.204 50 40 JKGB Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccccc1Br 20240991 YHMBZEHCRLSRGJ-WYMPLXKRSA-N 476.827 5.752 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccccc4Cl)c(Br)c3)[nH]c2c1 33367198 DHGUCPCNZSLBCL-WQRHYEAKSA-N 478.777 6.930 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1ccc(Cl)cc1 59116909 CYJLHWOANHISAT-LDADJPATSA-N 467.750 6.227 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 59245192 PEIUUWRSIQYWGB-GZTJUZNOSA-N 491.334 6.450 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(F)cc1 59333254 PNVHXYKCWKPMOC-QOMWVZHYSA-N 481.571 5.389 50 40 JKGB CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 59474989 JPBKCBGLGWEKMZ-YVLHZVERSA-N 490.341 5.251 50 40 JKGB N#CC(NC(=O)C(Cl)Cl)=C(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1 102622475 HMRNUCNZGSTXOR-UHFFFAOYSA-N 464.226 6.490 50 40 JKGB CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1 169840676 GRNRPZDCHUOWOJ-HOTGVXAUSA-N 474.468 5.490 50 40 JKGB C[C@@H]1C[C@H]2C(=CCCC2(C)C)C[C@H]1/C=N/NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 254372653 VBYMCZWEOZFNSW-ORGAAAFSSA-N 471.645 5.445 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1OC 408579679 JMGFDZGCLZQPHC-YBFXNURJSA-N 484.777 6.763 50 40 JKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Br)cc3)c2)cc1 408600493 ZYUMJRLEJYALMG-JVWAILMASA-N 465.391 6.090 50 40 JKGB CCOc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OCC 408602144 ARVXVVDJMYZOSU-HMMYKYKNSA-N 482.540 5.442 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)cc1 408743942 CQNLXFKVTFXHJB-ULJHMMPZSA-N 495.554 6.367 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C/c1cc(Br)ccc1OCc1ccccc1 408762682 KUACINQWYMOYKU-RWPZCVJISA-N 490.357 5.105 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1 408791262 VIASYDVGILBJCN-KGENOOAVSA-N 476.960 6.262 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(I)cc2)o1 408796028 OCGIOXVYGLAUEE-XNTDXEJSSA-N 488.712 6.059 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)c(OC(C)C)c1 408836956 XGAKAJFMANSKOZ-KGENOOAVSA-N 476.960 6.260 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1Cc1cccc(F)c1 408867371 KPCPDHMJXFDLIQ-QGMBQPNBSA-N 469.343 6.586 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OCc1ccc(Br)cc1 408868383 OHHULVUYUWJJFX-YSMPRRRNSA-N 483.362 5.199 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1 408884828 YLVNMUWNHTUDSX-XSFVSMFZSA-N 480.973 5.524 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1cc(C)cc(C)c1 408892430 BGNDYLAHOHGVGN-LPYMAVHISA-N 460.961 6.399 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2)c([N+](=O)[O-])c1 408898121 KRXQPKXXHOBFQO-VCHYOVAHSA-N 482.323 6.335 50 40 JKGB Cc1cccc(Cn2cc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)c3ccccc32)c1 408995020 KSMZQWJTKLFRMT-VULFUBBASA-N 458.543 5.149 50 40 JKGB COc1ccc(-c2cc(C(=O)N/N=C\c3c(C)n(C)c4ccc(C)cc34)c3ccccc3n2)cc1 409035606 JOKZZWIDGRZXIK-LQNQUEJISA-N 462.553 5.783 50 40 JKGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1cc(-c2ccccc2)nc2ccccc12 409041523 AMHGVRRXZCHECG-OKCVXOCRSA-N 486.358 7.233 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OC)c1OCc1ccccc1Cl 409065991 JRTUFOHVXBVEAU-PXLXIMEGSA-N 488.971 6.210 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 409202820 SQIQFNGQKXWSBF-VULFUBBASA-N 499.976 5.468 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Br)c1OC 409368424 UXVGHDCCZVNVIG-QPEQYQDCSA-N 470.104 5.135 50 40 JKGB CCOc1ccccc1/C=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1 1795281 WNARFGYJUWSQCA-AFUMVMLFSA-N 494.667 5.625 50 40 JKGB CCn1c(C)nc2cc(C(=O)N/N=C/c3c(C)nn(-c4cccc(C(F)(F)F)c4)c3Cl)ccc21 3251046 CMSXKTDUBAGEHR-KVSWJAHQSA-N 488.901 5.295 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4c(s3)CC[C@H](C)C4)c2C)cc1 3387198 RTEMNJSTVPUUKQ-ZXSUQFSISA-N 463.603 5.221 50 40 JKGB COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C(\C)c2ccc(Br)cc2)[nH]n1 6143218 CREZVSRJXVFZDB-AFUMVMLFSA-N 463.335 5.155 50 40 JKGB CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)OC)cc2OC)cc1OC 6163291 MOPMXKPOYSLOES-KJNJSDGNSA-N 493.556 5.362 50 40 JKGB N#C/C(=C/c1ccc(I)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 8399942 HVNNJCFUBMMINB-DHDCSXOGSA-N 482.302 5.585 50 40 JKGB O=C(CCl)Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1 8754866 DTDVGBYUUPWDJH-UHFFFAOYSA-N 463.777 6.147 50 40 JKGB O=C(N/N=C/C=C/c1ccccc1)c1cc2cc(Br)c(I)cc2o1 9262059 QRUSAALPRZKAMR-WXEZRFCZSA-N 495.114 5.229 50 40 JKGB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCl)[C@@H]3c2cccc(F)c2)cc1 9379856 APKWIDAXTUYRLM-WHLCRQNOSA-N 490.962 5.974 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)c3nc(-c4ccc(C)cc4)no3)cc2OC)cc1OC 13063208 SSLVEKFTQSOJAG-FYJGNVAPSA-N 497.507 5.354 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)CCCCCCC(=O)N/N=C/c2ccc(OCCC)cc2)cc1 14923126 VFOFRRUIVZNBAR-VFIVCBTMSA-N 494.636 5.205 50 40 JKGB COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 16412054 HRBBKXNARAJCQN-IZZDOVSWSA-N 470.548 5.419 50 40 JKGB Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)CCSc2ccccc2)c1C 20243905 RPIPGFNTSGDJIA-CVKSISIWSA-N 484.463 6.106 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(Br)ccc3OCc3cccc4ccccc34)[nH]c2c1 33590666 YCEXWEKCWNQQJH-HMAPJEAMSA-N 494.392 7.430 50 40 JKGB C/C(=N\NC(=O)CCSc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 58917715 SSWJTWUATRGTDH-HBWOEIDISA-N 467.638 6.536 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1 59281984 PXSZRMSZEAPQLT-CPNJWEJPSA-N 467.352 6.517 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 59336563 GOIPFOYIFVNOFS-WJDWOHSUSA-N 492.189 7.425 50 40 JKGB CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)C3=C(O)CCCC3=N2)cc1 102860399 FKKVDIIBLJYZMK-VWLOTQADSA-N 471.582 5.839 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Cl)c1OCC(=O)Nc1ccccc1 108949903 CUMNEXMOOZQCHQ-UNOMPAQXSA-N 486.959 6.005 50 40 JKGB Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 408528580 HXBJPUIBKLGGTJ-OCSSWDANSA-N 481.556 5.540 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=C(/C#N)c3ccc(Cl)cc3Cl)c3ccccc32)c1 408541412 GETGVRYUQGSWOL-UNOMPAQXSA-N 461.348 6.847 50 40 JKGB C#CCOc1c(Br)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Br 408565859 BPOBZUFCKHCPMX-SDQBBNPISA-N 475.115 5.303 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1nc2ccc(F)cc2[nH]1 408570835 ZCFCFFRXVJHAIR-XFFZJAGNSA-N 474.742 6.926 50 40 JKGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1 408606690 AFJOMFMYZRQGRA-MUFRIFMGSA-N 493.991 5.141 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc(Cl)cc3)cc2-c2ccc3ccccc3c2)cc1 408727238 VIBXJEZFZGDNOL-UXHLAJHPSA-N 464.956 6.418 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1cccnc1 408731427 KNEFWZMQWNBZAJ-OPEKNORGSA-N 479.161 5.494 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)c(Cl)c3)o2)cc1 408747029 YCOUXROQWSIHKB-UVTDQMKNSA-N 457.711 5.917 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1 408764809 VNEYJSZCERMHHS-RHANQZHGSA-N 457.961 5.944 50 40 JKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c(Br)c2)c1 408766842 HITCTTWWNIHZFP-MLPAPPSSSA-N 480.156 5.250 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1 408791597 ZGNYKOHZKXNFCU-VXLYETTFSA-N 496.350 6.643 50 40 JKGB C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1 408827348 KSDFAVAHAUODCD-LTGZKZEYSA-N 487.353 5.586 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1cccc2ccccc12 408846247 HXCAYFDUOVOBEP-MZFJOGFUSA-N 490.559 6.666 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Cl)c1 408892966 DNQZQUNGJZHUCV-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1 408898448 LKKNNCPHSRSVLC-YZSQISJMSA-N 460.577 7.198 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1cccc(C)c1 408965827 IWWTVVFOLNQMBH-XODNFHPESA-N 451.885 5.011 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)cc2Cl)cc1 408968312 VGAQABXGGLXJKN-KVSWJAHQSA-N 456.304 5.656 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1cccc([N+](=O)[O-])c1 408982149 GGEZPHQCQFMCKK-HMAPJEAMSA-N 487.943 6.410 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(I)cc3)o2)cc1Cl 408991286 ZQYWGQOLWWYKOH-GDNBJRDFSA-N 488.712 6.059 50 40 JKGB Cc1c2ccccc2c(/C=N\NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c2ccccc12 409000120 MOTIPHWWUCVOKM-CAQPMQTCSA-N 469.544 5.920 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Br 409044058 AQNYBAFSNDBYCO-KPKJPENVSA-N 468.120 5.295 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1OCc1ccc(C)cc1 409076128 YCGLFERSMNHUKY-BUVRLJJBSA-N 486.999 6.900 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1)c1ccccc1 409231750 MABATETWPSFPCM-MTEVNVADSA-N 460.917 5.402 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409248467 GRZHCJHCEJVFAH-VYYCAZPPSA-N 485.899 5.058 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409262776 KACZHMZBYRDQLJ-OEAKJJBVSA-N 483.568 5.492 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 867520 UCLUWKBDYFMASR-LICLKQGHSA-N 496.292 5.621 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc2c1CCCC2 2204166 DBERLFYISIQBPU-PTNGSMBKSA-N 479.583 5.632 50 40 JKGB O=C(Cc1ccccc1)Nc1cccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)c1 3099290 NSIJOSRJFALDTF-TWKHWXDSSA-N 463.537 5.211 50 40 JKGB COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1N/C=C(\C=O)c1nc2cc(Cl)ccc2o1 6088948 RERIUHYWQWVTKV-DTQAZKPQSA-N 497.960 5.251 50 40 JKGB C[C@H](/C=N/NC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1)c1ccccc1 8692487 VFRYNDGIUVMCLO-WKTMJKCCSA-N 469.566 5.068 50 40 JKGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)N(Cc1ccccc1)Cc1ccccc1)[C@H](Br)C2=O 8739108 FPPROZSUXDYSBL-ZPZUNKDASA-N 454.408 5.374 50 40 JKGB CS/C(NC(=O)c1ccccc1)=C(\C#N)[C@@H](CC(=O)c1ccccc1)c1ccccc1Cl 9056982 ROLSTKBUVWCZAT-XIPYDIPCSA-N 460.986 6.225 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 9187074 XOKJNSKUYMLFSA-GZTJUZNOSA-N 475.302 5.877 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1ccccc1Br 9288141 QKAPUTLTINWVHG-ZMOGYAJESA-N 488.179 5.555 50 40 JKGB C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc2c(c1)Nc1ccccc1S2 12562127 VWSKNFHNWGWQDB-IPPBACCNSA-N 456.493 5.866 50 40 JKGB CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)cc1 13109363 PFBPGUNCQOSKHL-UHFFFAOYSA-N 482.580 5.919 50 40 JKGB C/C(=N/NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccncc2)cc1 13322108 UTBYGJCKMPUAOA-MWLSYYOVSA-N 485.371 5.340 50 40 JKGB Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)c1C 20243744 UBTHULMWRUBMEP-YMSFFTPVSA-N 484.463 6.104 50 40 JKGB Cc1cccc(C)c1NCC(=O)N/N=C\c1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)cc1 30738368 YAWXLBPOYSMPAJ-LQNQUEJISA-N 457.574 5.382 50 40 JKGB Cc1cccc(COc2ccc(/C=C(/C#N)c3ccc4ccccc4c3)cc2Br)c1 34828998 YBFWRGUVDHIAAF-QFEZKATASA-N 454.367 7.554 50 40 JKGB Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 59254995 NMLWVTDUBXASTI-YBFXNURJSA-N 470.878 6.792 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 97951262 QMOXBWZCTRBTAV-QFIPXVFZSA-N 467.953 5.280 50 40 JKGB Cc1ccc2[nH]c(/C(C#N)=C\c3c(OCc4ccc(Cl)cc4Cl)ccc4ccccc34)nc2c1 108013308 BIZCNASBMWDRJZ-MOSHPQCFSA-N 484.386 7.975 50 40 JKGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 408568624 VOOQQMHMFCEIKL-JVWAILMASA-N 455.470 5.100 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408579652 JBEZEYFHMMNMCD-VXLYETTFSA-N 498.760 6.452 50 40 JKGB COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Cl)c1OCc1ccc(Cl)cc1 408691794 QGSIJGPDUNGCOT-GRSHGNNSSA-N 464.352 6.538 50 40 JKGB COc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)ccc1OCc1ccccc1 408719445 PGKASIWVWJJYHZ-VULFUBBASA-N 499.430 5.420 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1 408723949 AYFIMHFXYSHAOT-RDRPBHBLSA-N 475.508 5.673 50 40 JKGB Cc1nc2sc3c(c2c(=O)n1-c1ccc(C(=O)N/N=C/c2cccc(Cl)c2)cc1)CCCC3 408731156 JFFSDUVQLIUKBC-MZJWZYIUSA-N 476.989 5.052 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc2ccccc2c1 408746685 VKMVWGCJSYFLJZ-XYGWBWBKSA-N 478.548 6.372 50 40 JKGB N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 408775806 JZMPZAJHLQEAJX-MEFGMAGPSA-N 473.576 5.675 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(O)cc1 408790249 OICYKHKPBATAJY-GZTJUZNOSA-N 483.749 5.933 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(OCc2ccc(F)cc2)c1 408800673 OJZHBNYXMZXALD-LDADJPATSA-N 481.321 5.721 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(OCc2cccc3ccccc23)c1 408802004 XSXCMMSNVBGYDD-PXLXIMEGSA-N 450.494 5.679 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 408817685 WOIYSUAOUSMQGT-DEDYPNTBSA-N 495.362 6.295 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)c(Cl)c3)c(C)c2)cc1 408853854 YLHKDCNMUSPUCN-UDWIEESQSA-N 481.379 6.744 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 408869358 CDNLXGJZXHGCPR-RCCKNPSSSA-N 472.466 6.983 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OCc2ccccc2Cl)c1 408888795 ATKWUSCLDCSUCY-LDADJPATSA-N 453.325 6.127 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1cccc(C)c1 408966642 MRCMTGVCTKYRDQ-XODNFHPESA-N 496.336 5.120 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1O[C@@H](C)CC 408967988 TXABUSXSWABDIP-UQJRAWQTSA-N 487.316 5.808 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OCC)c1OCc1ccccc1F 409065601 JOBMPMPHBIBMRJ-LFVJCYFKSA-N 470.544 6.386 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1OCc1cccc(F)c1 409070071 XHGGKIKWEFDUQA-FYJGNVAPSA-N 476.935 6.341 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OC)c1OCc1cccc(F)c1 409070203 YAEJRQCXXVOCGW-HYARGMPZSA-N 472.516 5.696 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccccc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409080398 NNNRBIYSYQBEPF-LICLKQGHSA-N 488.849 7.522 50 40 JKGB Cc1[nH]nc2c1[C@H](c1cc(Cl)c(OCc3ccccc3Cl)c(Cl)c1)C(C#N)=C(N)O2 409135161 VGHOHAWHEMKDNY-GOSISDBHSA-N 461.736 5.476 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Br)ccc1OCc1cccc(F)c1 409144431 OAJWUPQIDUJICP-QFIPXVFZSA-N 467.294 5.091 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1Cl 409146969 URYSPSQNDQOBQV-JOCHJYFZSA-N 484.383 5.311 50 40 JKGB C=CCOc1cc(Br)c(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OCC 409218362 IIENSRHARKOMBA-FSJBWODESA-N 483.815 5.308 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2cccc(C)c2C)c(Cl)c1 409256287 NCQZGZCWTPIOOL-BKUYFWCQSA-N 473.960 5.828 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1C 409260942 YVNVPSJJSKLUEW-UNOMPAQXSA-N 475.932 5.220 50 40 JKGB O=C(COc1c(Cl)cc(/C=N\NC(=O)c2ccccc2)cc1Cl)Nc1ccccc1Cl 409264255 OBQQXMMRMKVVRF-ZRGSRPPYSA-N 476.747 5.428 50 40 JKGB O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1cccc(F)c1)c1cccc(F)c1 409267779 XPLFCLOGYBABBD-UHFFFAOYSA-N 492.572 7.269 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1OCC 409305572 VZPZUPINKJVWHC-RHANQZHGSA-N 494.975 5.655 50 40 JKGB COc1cc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1c(C)cc(C)cc1C 647842 DEERVTMUNPNKES-QDPGVEIFSA-N 478.596 5.793 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1ccccc1Br 949380 XQGKQFHEMHHINZ-UKTHLTGXSA-N 472.682 5.816 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)c1cccc(F)c1 1056774 SPDRIMIARIRTOO-WOJGMQOQSA-N 451.295 5.670 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)cc1 2393232 LZRMMHABGXSHMV-BMRADRMJSA-N 486.915 5.085 50 40 JKGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 2553502 OFOIXFRDENJIIC-LICLKQGHSA-N 470.381 6.151 50 40 JKGB Cc1ccc(-c2csc(C(C#N)=C3SC(c4ccccc4)=C(c4ccccc4)S3)n2)cc1 3176310 MDNHYIDTARUOOB-UHFFFAOYSA-N 466.656 8.317 50 40 JKGB C/C(=N\NC(=O)CCCCC(=O)N/N=C(\C)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 8780834 AOSRMEHLTGPAIP-GKTLAHRSSA-N 494.724 5.964 50 40 JKGB CCCCOc1ccc(C(=O)NNc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 9076123 KTWKIKMMXNAFPE-UHFFFAOYSA-N 488.613 5.262 50 40 JKGB COc1cccc(/C(C)=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)c1 9232847 QLTIQIPTWDBAKP-XKZIYDEJSA-N 479.052 5.125 50 40 JKGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC 9907208 RHVGNAMZFFAGGO-CXUHLZMHSA-N 473.754 5.367 50 40 JKGB CC(C)c1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(O)CC(C)(C)CC3=N2)cc1 13174747 MLYXHURHFDCQCA-DEOSSOPVSA-N 491.682 7.149 50 40 JKGB N#Cc1cccc(Cn2cc(/C=N/NC(=O)c3ccccc3Br)c3ccccc32)c1 20761097 HEBHTTRNKVTYCP-MZJWZYIUSA-N 457.331 5.088 50 40 JKGB Cc1ccc(SCC(=O)NC(C#N)=C(Sc2ccc(C)cc2)Sc2ccc(C)cc2)cc1 27020717 YNTPPPKGRUBUHM-UHFFFAOYSA-N 476.692 7.097 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)NCc2ccccc2)c2ccccc2n1CCOc1ccccc1Cl 27827307 OEYKCHMPSKTCFB-OQKWZONESA-N 469.972 5.906 50 40 JKGB O=C(N/N=C/c1ccc(Br)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 58900740 HUQBAAPYRUZEEK-ZMOGYAJESA-N 456.727 5.119 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)C3c4ccccc4Oc4ccccc43)o2)cc1 71335810 GDUAWKOGBXEQKL-STBIYBPSSA-N 466.493 5.511 50 40 JKGB COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OCc1ccccc1 83318227 IRBVRBLDJGLSDC-WGARJPEWSA-N 479.330 5.547 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccc(Br)cc1 408548842 LZOSWGXMLWCIHA-OYKKKHCWSA-N 470.366 7.254 50 40 JKGB C=CCOc1c(I)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OCC 408583689 WQFAJVSXSTUQBS-LICLKQGHSA-N 491.325 5.336 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)ccc1OCc1cccc(Cl)c1 408719621 HZSBQJHCYHQBBY-DVQSINOTSA-N 483.033 6.090 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(Br)cc1 408725539 LKELKKGQQLQNAM-UYRXBGFRSA-N 493.357 5.678 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1cccc(I)c1 408760660 CMUXODOJXKZIGO-CPNJWEJPSA-N 480.305 5.416 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 408792636 BQYORRMCXKFRJS-JJIBRWJFSA-N 485.543 6.175 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408793981 GXVMGXSDRGNLGS-XDHOZWIPSA-N 481.335 5.905 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1 408810240 LUORYJPJDGCNQK-HZHRSRAPSA-N 466.968 7.235 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1Cc1ccccc1Br 408866904 JBQAJDCLUWWOTC-XDHOZWIPSA-N 481.777 6.248 50 40 JKGB COc1cccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)c1 408877005 SNSGEKMLEDMYPB-MXAYSNPKSA-N 473.754 5.454 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2F)cc1C 408880844 HRGJHXPIWHJXGY-FYJGNVAPSA-N 463.350 6.342 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408882680 QEJDVQSJEAKADN-GZTJUZNOSA-N 468.296 6.026 50 40 JKGB N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccccc1F 408883549 QESCLYADBLBFNN-HKOYGPOVSA-N 472.519 7.257 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Br)c1 408894930 JUZABHUYABREEF-UDWIEESQSA-N 477.358 5.896 50 40 JKGB CC(C)COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 409042668 CBQCGVKONOSNCZ-MKMNVTDBSA-N 457.279 6.593 50 40 JKGB CC(=O)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cccc(Cl)c1 409110919 ABTQOWQIGHOXSJ-CFRMEGHHSA-N 468.922 5.122 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1Cl 409141791 IYLXDQHSRBOJHX-OAQYLSRUSA-N 471.340 5.396 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)ccc1Br 409187686 TVCSAGFDMKCFTQ-JJFYIABZSA-N 470.352 5.534 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C)cc1 409208663 DJLOPLABWMDKMJ-JAIQZWGSSA-N 479.330 6.318 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1 409223350 FIWLFYVFPKUBTF-HBAFHOPNSA-N 486.999 6.440 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409243178 ZODFAABTNOPWDL-VYYCAZPPSA-N 485.899 5.058 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1C 409249559 JUEZUJOCBIUMFY-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 409257742 SAVBWYWFVMLWRR-BKUYFWCQSA-N 473.960 5.828 50 40 JKGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)o2)ccc1Cl 409259270 YIUNLCYGSWCFIP-LQKURTRISA-N 460.917 5.623 50 40 JKGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3Cl)=C2C#N)cc1 409320803 RDPXMGINPCDFNU-INIZCTEOSA-N 476.385 5.103 50 40 JKGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(OCc2ccccc2Cl)cc1 2204041 SZNPOZBEXWAYOI-QFIPXVFZSA-N 456.885 5.244 50 40 JKGB CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2cccc(C)c2C)=C(C#N)[C@H]1c1ccccc1Cl 2312235 BBIHCQXVRYOLGN-YADHBBJMSA-N 498.004 5.297 50 40 JKGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(COc2ccc(Cl)cc2C)c(C)cc1C 2730577 XPFBTUPQSXGFAR-XMMPIXPASA-N 466.965 5.489 50 40 JKGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(N/N=C/c2ccccc2C(F)(F)F)cc1 12564090 DGTCCBDLTADWFJ-HNZHSOEWSA-N 478.396 5.934 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1cc2ccccc2oc1=O 13534247 DHVDFWCWCWIGJF-UNOMPAQXSA-N 457.869 5.738 50 40 JKGB Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 13778593 BUWQDXVDDXJDML-GPSDDGMOSA-N 491.975 5.853 50 40 JKGB CC(C)c1ccc([C@H](Nc2ccccc2)[C@H](SC#N)C(=O)c2cccc3ccccc23)cc1 16575827 XFUSRJUHTYWYQV-YTMVLYRLSA-N 450.607 7.582 50 40 JKGB COCCOC(=O)C1=C(C)NC(SCc2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccccc1Cl 20150280 PEUXJJKSAKFREV-JOCHJYFZSA-N 489.424 5.812 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 20197309 AXGWMYYPJDHMJH-LQKURTRISA-N 492.373 5.452 50 40 JKGB Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C(F)(F)F)NC3=C2C(=O)CCC3)cc1 20348385 QPYOYJSZFCOHOB-HSZRJFAPSA-N 497.542 5.815 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)cc1Cl 33710771 LIHUGAGRSLFNTP-HMMYKYKNSA-N 479.971 6.542 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1cccc(Cl)c1 58913325 OLAAHHQDZGMXCE-IPBVOBEMSA-N 497.304 5.509 50 40 JKGB O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccc(F)cc1 59427550 GIEWSZFCDWHTBE-FMFFXOCNSA-N 493.969 7.368 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1F 59536589 MHYTUTKCIYFFHP-XDHOZWIPSA-N 480.923 6.011 50 40 JKGB CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 100217722 VKCSFJJPSMMGNI-VBKFSLOCSA-N 454.349 5.726 50 40 JKGB C#Cc1ccccc1COc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC 100302687 LUJKLJCDWOXBQY-MBTHVWNTSA-N 458.901 5.419 50 40 JKGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)C2=C(O)CCCC2=N1 102883601 UNMNNBYTGTZLNJ-HSZRJFAPSA-N 497.542 6.655 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408545327 XVTLOGXWYBKRCQ-BWAHOGKJSA-N 495.579 5.446 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc(Br)cc1 408579005 CIIDHJVLXFRXMV-RCCKNPSSSA-N 458.330 7.385 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc(C#N)cc1 408606141 OQMMLZAOOKEUMM-CIAFOILYSA-N 477.524 5.142 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)c2C)sc(C)c1C 408745320 LMZCFTZQWOZHTI-MOSHPQCFSA-N 477.586 5.503 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)cc1 408745365 MIUGJBZQRXIEMP-ODLFYWEKSA-N 467.352 6.435 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)C(=O)Nc1ccc(Cl)cc1 408752627 IVJRVBQXHKXPTQ-ATVHPVEESA-N 466.324 5.557 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Br)c1OC 408754943 SUDFELMNNAEIFU-JYRVWZFOSA-N 480.156 5.165 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc(F)c1 408792632 BQBQBCRGGGNMAX-RGVLZGJSSA-N 464.924 6.311 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(Br)cc1 408811031 QJZAQJBXKCEDES-SDLXJUDFSA-N 491.385 5.821 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 408813198 QCJYDOOXSMYJLI-KKJJZKEWSA-N 481.379 6.365 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2ccc(Cl)cc2)c1Cl 408816724 UNESXSUVYFRZFK-OPEKNORGSA-N 480.735 5.924 50 40 JKGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)Cc3ccccc3)cc2)c1 408838845 JEECJBSIOAXVGM-AJBULDERSA-N 491.547 5.159 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1Cc1cccc(F)c1 408875615 KRHCAKBBOKENOE-VCHYOVAHSA-N 452.888 6.153 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1cc(C)cc(C)c1 408892298 YLUZWUPZCMOSLO-SRZZPIQSSA-N 495.406 7.052 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1sc2c(c1C#N)CCCC2 408963764 PCMYWTOPBGQNIA-VFLNYLIXSA-N 470.520 5.689 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(I)cc1 408996421 DPBRTHXZVRJLJT-CVKSISIWSA-N 493.348 5.616 50 40 JKGB CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(OC)c(O)c(SC#N)c2)C2=C1CC(C)(C)CC2=O 409045060 XZFQAPZEBUHOOP-UHFFFAOYSA-N 494.657 6.070 50 40 JKGB CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 409049816 XQOHAQXFGCTBPS-KPKJPENVSA-N 484.575 5.809 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(C(=O)O)cc2)c(C)c1 409069662 MJMUDLNMSNDHQD-KEBDBYFISA-N 495.362 6.433 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2Cl)cc1 409217224 ALKQUAMFQHBCCY-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)C(=O)NCCCc1ccccc1 409229689 SWLNOAUVBDGZCZ-JCMHNJIXSA-N 493.376 5.823 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1cccc(C)c1 409231484 JILJMLCMYFPTBA-MBTHVWNTSA-N 454.929 5.458 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1C 409258988 YRYANRYVJYTAAU-ODLFYWEKSA-N 494.378 6.173 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1OCC 409302162 HTGIDHDIQKGDMF-MBTHVWNTSA-N 496.947 5.179 50 40 JKGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 409364134 NEQPHIXUDHBMQJ-LGJNPRDNSA-N 472.770 5.244 50 40 JKGB Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 934941 GBRMGPJFCNTXRK-NLTRVXJZSA-N 488.012 5.391 50 40 JKGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccccc1[N+](=O)[O-] 1831178 UOCCWEMQZMTNCM-FSJBWODESA-N 495.611 5.134 50 40 JKGB Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)C3=C(CCCC3=O)N2)c(C)c1 2310199 CEZYDUJXXKQHPI-RUZDIDTESA-N 471.626 5.721 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccccc1C#N 8812842 SRXYETQACQZEIJ-UVHMKAGCSA-N 498.764 5.326 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1c(C)n(Cc2ccccc2)c2ccccc12 8812956 PXKSQXPIVUAGSW-JFLMPSFJSA-N 476.374 5.533 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1cccc2ccccc12 9089407 FEDQMNHJQDAGHK-RUZDIDTESA-N 452.514 5.067 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3cc(C)ccc3C)N(c3ccccc3)C2=O)cc1 12273775 QOHBFJHXUYYQRG-RAMZYJDASA-N 467.594 5.677 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Br)c2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 14151969 XOXJVRSREJRPGN-RVDMUPIBSA-N 478.371 6.067 50 40 JKGB Cc1ccc(COc2ccc(Cl)cc2/C=N/NC(=O)c2ccccc2Br)cc1 20760683 NMSKXLGBMLAZJT-DHRITJCHSA-N 457.755 5.754 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1 33678871 VGEVYUCTHXQUTK-WQRHYEAKSA-N 497.776 6.236 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1nc2ccccc2s1 35073538 PZYAISJUGNSUQF-UQQQWYQISA-N 474.585 7.518 50 40 JKGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 57315304 SQELZGVROCBPHL-OGLMXYFKSA-N 467.400 5.080 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(Br)cc1OC(C)C 59104481 RWQHMIZREIBQAD-ODLFYWEKSA-N 496.405 5.382 50 40 JKGB COc1cc(C=C(C#N)C#N)cc(I)c1OCc1ccc(Cl)cc1Cl 59426504 YOCOAFAJMYJTQN-UHFFFAOYSA-N 485.108 5.616 50 40 JKGB COc1cc2c(OC)cc1[C@H](C)[C@H](C)c1ccc(cc1)[C@@H](Br)[C@@H]2Br 104429889 IXOJPPZTKGLJHW-OCBHBYCGSA-N 454.202 6.497 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 107754357 XWMWHWWUNPPMKE-RWPZCVJISA-N 471.582 5.650 50 40 JKGB CCN1c2ccc(/C=N/NC(=O)COc3ccc(Br)cc3)cc2C(C)=CC1(C)C 208508956 XLCJHHUFNLPPNI-AFUMVMLFSA-N 456.384 5.000 50 40 JKGB CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 408538563 OUKRCHONMUNYNE-HKWRFOASSA-N 451.523 5.888 50 40 JKGB CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)ccc1OCc1ccccc1Cl 408598933 LMKUYXZCWOAMLA-CPNJWEJPSA-N 461.974 6.851 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)Nc1ccccc1 408742037 MPEIQWBLVPYVSE-PDGQHHTCSA-N 451.295 5.713 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br 408744662 GJUAOLUNPUMIBY-QPEQYQDCSA-N 498.160 5.243 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 408756862 UUUOZHANQORTJB-RCCKNPSSSA-N 476.554 5.016 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1 408798605 VZNMLUXFELHWCY-CPNJWEJPSA-N 450.897 6.002 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 408803481 POKAIAZHJDAAQJ-RGVLZGJSSA-N 481.379 6.689 50 40 JKGB C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1 408832718 ILGQIHULTVTQFO-XSFVSMFZSA-N 477.347 6.130 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408848333 UASGLHGFKGTJQF-WOJGMQOQSA-N 495.894 5.911 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Cl)cc(Cl)c2O)cc1 408854363 DFJFVUONCUCQCO-MBTHVWNTSA-N 464.352 6.229 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccc(C)cc1 408886768 IWQXCSNVQJMJDU-XSFVSMFZSA-N 480.973 5.524 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1cccc(Cl)c1 408889275 BJKYUOULFNXXIV-WOJGMQOQSA-N 462.889 5.171 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408896056 OZENBCKNEHOXBE-GZTJUZNOSA-N 451.841 5.512 50 40 JKGB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2cccn2-c2ccc(C(=O)O)cc2)c1 408936306 PCOSLYXKSLFCGH-UHFFFAOYSA-N 460.921 5.000 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1Cl 408941586 XFOQSBYHFKPMOM-ODLFYWEKSA-N 481.777 6.536 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCc1ccccc1Cl 408971615 KFJAKWGYURGSGA-RWPZCVJISA-N 478.932 5.836 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 409091819 SATXRTMHXFWEIL-LDADJPATSA-N 458.430 5.458 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OC(C)C 409203122 VGEUDJNWVHMKKR-SXGWCWSVSA-N 478.286 5.449 50 40 JKGB N#C[C@@H](C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1 409204666 CLCNKRKCEUAOHU-HDNNTFNPSA-N 461.352 5.754 50 40 JKGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl 409377067 GAGJYCXLZIYJCN-BOPFTXTBSA-N 496.350 5.565 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1cccc(F)c1 409393700 SAVXJZLKIAPAPG-ZDLGFXPLSA-N 453.267 6.140 50 40 JKGB Cc1ccc(NC(=O)N/N=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1 4082073 PXGOVTCDIZKGLE-VULFUBBASA-N 461.363 5.916 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1ccc(Br)cc1)c1cccc(Cn2cccn2)c1 8456056 NFOSTPOZFPSGOY-YUMHPJSZSA-N 489.373 5.037 50 40 JKGB CC(/C=N/NC(=O)c1ccn(Cc2ccc(Br)cc2)n1)=C\c1ccc(C(C)C)cc1 8780719 NVUAEHOKXXKUCN-OSELTCGRSA-N 465.395 5.636 50 40 JKGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3ccc(Br)cc3)o2)ccc1Cl 9203045 NBLMZYVWLRXVET-DHRITJCHSA-N 489.753 5.232 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)cc1 9259020 ORZMRFFXUARAJG-PXLXIMEGSA-N 453.517 5.369 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1ccc(Br)cc1 9292567 CXBMIZLLRDOCRD-JOCHJYFZSA-N 499.368 5.636 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@H]1[C@H]2c3ccccc3C=CN2[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 11612182 UYDDPTCNFUMGFE-KQFVITFDSA-N 485.562 6.572 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCc1ccccc1 11853083 CEJMATLYMIJXMC-OEAKJJBVSA-N 452.579 7.079 50 40 JKGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(C)cc2)s1 11990844 HNYNPOUKUWZTLN-XDHOZWIPSA-N 494.414 5.915 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)cc1 12560340 WBSOGOCKXCLARZ-DLOADGHBSA-N 473.576 6.425 50 40 JKGB N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C\c2cccc(F)c2)[C@@H]1c1cccc(F)c1 19816097 XGLGJCHXVFCTJP-XRGIRGSUSA-N 467.519 5.626 50 40 JKGB Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)[C@H](C)Sc2ccccc2)c1C 20243739 VHYSFQRAKWWTAI-MJDKSPQASA-N 470.436 5.796 50 40 JKGB CCOc1cc(Br)c(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OCC 33717091 ILAQEIXQEFLIMI-AFUMVMLFSA-N 471.351 5.172 50 40 JKGB N#C/C(=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 59105219 NLSFUXQEEBVFOW-JCMHNJIXSA-N 489.535 5.345 50 40 JKGB O=C(N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cccc(Br)c1 59472645 HJJZAGXYYZYBKF-COOPMVRXSA-N 484.353 5.283 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccc(Cl)cc1 208782538 YAWIDADIDUACHJ-LICLKQGHSA-N 494.776 6.631 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(OC)c1OCc1ccc(F)cc1 408542709 NNFFRJSEMGRPKP-XKZIYDEJSA-N 486.499 5.386 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1cccc(F)c1 408552388 SOBDNVVBLPDEGK-YBFXNURJSA-N 487.556 5.771 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1-c1cccc2ccccc12 408723940 ARZNLHRISRPXAN-KBVAKVRCSA-N 499.401 7.072 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1cccc(Br)c1 408761139 IFGJZWGXRZVHDJ-PDGQHHTCSA-N 490.788 6.651 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(F)c2)c1 408795811 MQSLXOOJUPOQLD-UDWIEESQSA-N 479.349 6.330 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)ccc1OCc1ccc2c(c1)OCO2 408800579 PVWVQMISYIGYRT-CIAFOILYSA-N 486.524 5.256 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(C)c(C)c1 408807776 KZFSNUBDPQXZDA-HYARGMPZSA-N 460.961 6.480 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(Br)c1OCc1ccccc1 408810186 JBWHIMZKXHXAGY-UJXHEIMFSA-N 483.406 5.639 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 408812812 NXRODNWXRZIDLV-MOSHPQCFSA-N 467.352 5.804 50 40 JKGB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccc(F)cc4)cc3)sc2c1 408839393 ROGQXWYQMHYATH-UVHMKAGCSA-N 465.937 6.018 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(C)cc1 408900358 VHVKCVGZXVLOEK-YBFXNURJSA-N 467.352 6.435 50 40 JKGB O=C(N/N=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1cc2ccccc2o1 408936806 GDZKEXKDUUIAQM-MWLSYYOVSA-N 499.364 6.691 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 408983173 FVJWQYBWGIVACS-GHXNOFRVSA-N 476.703 6.669 50 40 JKGB Cc1cccc(Cn2cc(/C=N\NC(=O)CSc3nc4ccccc4s3)c3ccccc32)c1 408999971 LZAMGLKMKOHQPW-VYYCAZPPSA-N 470.623 5.850 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2F)c1 409048529 ROQYCNFQTYSPSX-VCHYOVAHSA-N 455.316 6.566 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1 409053603 NNJLWZZWDKGALA-XODNFHPESA-N 491.802 6.697 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 409063610 CWCYCQZYXLVMPP-PCLIKHOPSA-N 497.551 5.524 50 40 JKGB N#C/C(=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1 409085402 OJJPFHNBBAPHKW-DHDCSXOGSA-N 498.373 5.860 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2ccc(F)cc2)c(Br)c1)OCO3 409099870 MGLMLSOEJIZVMM-QHCPKHFHSA-N 495.304 5.114 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1Oc1ccc([N+](=O)[O-])cn1 409211596 LXIMYJXAJABEMT-FDVSRXAVSA-N 496.479 5.844 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)cc2Cl)cc1 409231680 FJMOXEGKJILJLI-MAGMUUGSSA-N 473.960 5.450 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc(C)cc1 409233220 DNXOONKQTPMEFM-MBTHVWNTSA-N 454.929 5.458 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2Cl)c1C 409266717 XWKDKUCBLICSQI-UNOMPAQXSA-N 494.378 6.173 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(Br)cc1F 867474 KSGYEWPHCBATMR-YRNVUSSQSA-N 490.672 5.955 50 40 JKGB N#CC1=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 2239576 NMJLSUKGGKIYOT-FQEVSTJZSA-N 474.369 5.387 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1cn(-c2cccc3ccccc23)nc1-c1ccccc1 2750799 XQKQVUSACLBNNQ-QNKGDIEWSA-N 480.571 6.539 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCc1ccccc1 4196451 HNGQSHFDSYKDBW-CIAFOILYSA-N 491.385 6.199 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cc(C)ccc3C(C)C)nc3ccccn3c2=O)cc1 9292096 GBCCSLNLIKPBEU-CAPFRKAQSA-N 494.551 5.473 50 40 JKGB COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2OC)cc1 12585827 VYOXULQDWGJCSB-RQZCQDPDSA-N 497.334 5.775 50 40 JKGB N#CC1=C(Oc2ccccc2)N=P(Oc2ccccc2)(Oc2ccccc2)N=C1c1ccccc1 13302067 KDYMHDOIFQKWEC-UHFFFAOYSA-N 477.460 7.408 50 40 JKGB CC/C(=N\NC(=O)COc1ccc(OC)cc1Br)c1ccc(-c2ccccc2)cc1 14921752 UFUKWCFPHNWHBL-XTCLZLMSSA-N 467.363 5.434 50 40 JKGB N#CC1=C2SCN(Cc3ccco3)CN2C(=O)C[C@@H]1c1ccc(OCc2ccccc2)cc1 20533203 VSZIQDDCVSISRD-HSZRJFAPSA-N 457.555 5.074 50 40 JKGB CCc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccccc2C)c2ccccc23)cc1 20558711 RTIZOJCGEVFHLI-VWLOTQADSA-N 483.593 5.084 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccccc2Cl)c1 34793678 MAQIXECKKCHPRV-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1-c1cccc(Cl)c1 58913480 UNVRVPKAGCESKV-STBIYBPSSA-N 486.959 5.629 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(Br)c(Br)c1O 59335830 ZIJAWGWLSYONEU-JYRVWZFOSA-N 480.156 5.170 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCC(=O)OC 59336550 QNHPSRPFQAFPSU-BOPFTXTBSA-N 489.355 5.218 50 40 JKGB C[C@@H]1[C@H](C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1(Br)Br 95749425 PIPWLIJJJNWSQC-GCJKJVERSA-N 489.211 5.733 50 40 JKGB Cc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N=C2CCCC(O)=C21 102532565 ZVSPXDXOPMVAHP-QHCPKHFHSA-N 463.990 6.290 50 40 JKGB CCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F 103528243 AEBXMEWTIPKPRJ-LLVKDONJSA-N 450.220 7.154 50 40 JKGB C[C@@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)/C(C#N)=C1/Nc2ccccc2S1 104815689 HOOSTRWUNPNIPD-GMVXBXSFSA-N 489.072 6.319 50 40 JKGB CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC 108014808 VMCJFHOTAHVAFM-HMMYKYKNSA-N 485.422 6.743 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 408580284 NWQINNNOMYTMIN-YBFXNURJSA-N 467.352 6.392 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 408744264 JXDYKANGTBICSI-ZDLGFXPLSA-N 471.771 7.080 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408793824 GWEDPQBSVLBPDN-LZYBPNLTSA-N 492.189 7.425 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Br)cc1 408795868 WKOHYHZGCLCQNP-XDHOZWIPSA-N 463.331 5.588 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1Br 408808514 PYFFZSFLZRICEL-CRXDUFIQSA-N 482.216 5.378 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1 408815079 RLRPYPBQKBWHCQ-BKUYFWCQSA-N 470.598 5.138 50 40 JKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1 408820356 XCSKXAWLKPEJPS-UDWIEESQSA-N 474.391 7.159 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc3ccccc23)c(OC)cc1Cl 408826302 BVZUINMCXNHTMJ-HYARGMPZSA-N 498.966 6.635 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC#N 408838207 CVCSMNKZICVJLJ-MUFRIFMGSA-N 497.580 5.537 50 40 JKGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1 408845156 PCCLOTNUUUQXLH-RWPZCVJISA-N 491.016 6.678 50 40 JKGB CC(C)c1cc(/C=N\NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(C(C)C)c1O 408850313 LDSQYNRVNZFDFO-RAWMCFOBSA-N 451.445 5.259 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Cl)C(=O)Nc1ccccc1Cl 408878502 BNOPFEDSYRQTEO-LDADJPATSA-N 486.196 6.892 50 40 JKGB O=C(COc1ccccc1Cl)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 408912299 MWXPZUPKCPHKBE-UVHMKAGCSA-N 452.341 5.526 50 40 JKGB CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 408994189 HBBNVPFIFNADKT-OGLMXYFKSA-N 475.614 5.036 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OCc1cccc(C)c1 408994403 ZLWQXTNLNUUOMM-BUVRLJJBSA-N 486.999 6.819 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 409045627 ZWVXOOAJDMUSJM-LZYBPNLTSA-N 492.189 7.425 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c(Cl)c1 409051352 LDSLAVQZKDVIND-LUOAPIJWSA-N 465.739 6.437 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1OCc1ccccc1F 409072774 KXWZAYQDBDIWIV-PCLIKHOPSA-N 484.571 6.694 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OCc1ccc(F)cc1 409075386 XYIZVYVPFKSLGV-FYJGNVAPSA-N 476.935 6.341 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc2ncccc2c1 409236714 GTDFKPOYCQJYMJ-NDENLUEZSA-N 460.459 6.207 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2)cc1Cl 409254594 ZRAAKNGCSWWMLE-PDGQHHTCSA-N 480.351 5.865 50 40 JKGB CCOc1ccc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409309378 GJJKABZNLIPCHW-PMACEKPBSA-N 491.396 5.063 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 715911 FMCDLYKJROJGOC-DEOSSOPVSA-N 491.588 5.271 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1cc2c(ccc3ccccc32)o1 2162413 OZKRQEMZZJMMBY-OKCVXOCRSA-N 488.503 6.261 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1 2166014 QJGSBOQLJCGYDZ-AFUMVMLFSA-N 460.416 5.256 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2ccc(-c3ccccc3)cc2)nnc1-c1ccc(C)cc1 2266258 VQPKZWKGAZYCTG-WPWMEQJKSA-N 455.587 5.183 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@@H](c3cc(Cl)ccc3N[C@H]2c2ccccc2)[C@H]1Cl 4131509 XZHNHHBEPYCAEN-DQXGGZLGSA-N 471.409 7.287 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2OC)c1C 8812779 FREVTMNNDXQESJ-BRJLIKDPSA-N 490.785 5.291 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1Cl 8842935 IPUZNPSGXRIQOJ-IPPBACCNSA-N 476.882 5.639 50 40 JKGB N#CC1=C(N)Oc2cc(OC(=O)c3ccco3)ccc2[C@@H]1c1cccc(OCc2ccccc2)c1 8917427 XCYHAEFKZOTBRH-SANMLTNESA-N 464.477 5.296 50 40 JKGB CCn1c2ccccc2c2cc(N/C=C(\C#N)c3nc(-c4ccc(OC)cc4)cs3)ccc21 9065420 VOAFZGRZROHQAM-KNTRCKAVSA-N 450.567 6.923 50 40 JKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cc(Cc3ccccc3Cl)ccc2O)cc1 10059577 JYIWDYISEZUABQ-CTOFZRSPSA-N 450.966 5.679 50 40 JKGB Cc1ccc(-c2nnc(SC/C=N/NC(=O)c3ccccc3)nc2-c2ccc(C)cc2)cc1 14356713 ZKEVNXCLGPSELQ-JVWAILMASA-N 453.571 5.330 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1Cl 16406793 IJBGVJOEUFGTSU-LDADJPATSA-N 463.877 5.338 50 40 JKGB Cn1c(/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)nc2ccccc21 16732794 UADCKCYRNRHCFO-HMMYKYKNSA-N 459.509 5.261 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCc1ccccc1Cl 33339006 FNOWBDXUFWBXHR-MOSHPQCFSA-N 475.932 5.432 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(F)cc1 33386964 JBNUYIBEWACLAD-NVMNQCDNSA-N 483.293 6.148 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 35401959 WMHGMFULLCRTPV-CCVNUDIWSA-N 466.368 6.327 50 40 JKGB CCCCCOc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2ccc(C)cc2)c2ccccc21 46084997 OXFMBJRWPKVXHN-PNOGMODKSA-N 485.584 5.010 50 40 JKGB COc1ccccc1OCC(=O)N/N=C(\C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 58917111 APFZJCIZUUUDBK-JPKXLVEKSA-N 485.559 5.580 50 40 JKGB CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(Br)cc2)C2=C(O)CC(C)(C)CC2=N1 103708427 KSDQKJQEWVXOBM-IBGZPJMESA-N 475.408 5.651 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cccc(Oc2ccccc2)c1 408567963 HECRRYGAGANPFG-PCLIKHOPSA-N 450.585 5.487 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1OC 408579677 JLFKVJXGGHPBKL-UDWIEESQSA-N 480.358 6.118 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Br)c1OC(C)C 408580845 SBSVEIQISAIUJR-CXUHLZMHSA-N 465.185 6.462 50 40 JKGB N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1ccc(Cl)cc1Cl 408581626 XZWKDAJHHNLVFY-XQNSMLJCSA-N 480.394 8.943 50 40 JKGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 408592588 ZNXZCTQQYBQWOS-BHGWPJFGSA-N 461.305 5.082 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c(Cl)c1 408741470 PXZJXKQRUIEZLV-XODNFHPESA-N 496.350 6.123 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3F)c2C)c1 408742682 BQXXRJGZOUWIAI-WQRHYEAKSA-N 452.327 5.850 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)cc1 408743057 DIPBCHLRCQLNHD-HMAPJEAMSA-N 457.530 5.134 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1)Nc1cccc(Cl)c1 408760656 CLZUHAJDACOSJT-LQKURTRISA-N 457.917 5.275 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)o1 408794200 IHPKZTCLYOYZSE-RCCKNPSSSA-N 479.492 6.288 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(Br)c2)cc1 408814745 ZPAOKBJRZAWPBN-FYJGNVAPSA-N 491.385 6.199 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)c(F)c1 408966583 MGTRBQOPCDZEFR-KKMKTNMSSA-N 486.728 5.456 50 40 JKGB CC(C)(C)c1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 409007741 ZFYPIUSXRXSXKZ-JFLMPSFJSA-N 460.405 5.293 50 40 JKGB COc1ccc(-c2cc(C(=O)N/N=C\c3c(C)n(C(C)C)c4c(C)cccc34)c3ccccc3n2)cc1 409030132 CDQPJPJDCOUEIF-CAQPMQTCSA-N 490.607 6.827 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1Cl 409050968 FOLDAGSGMVSGFP-KKMKTNMSSA-N 477.775 6.307 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1Cl 409051306 KMMUIUJJNRBEME-RPPGKUMJSA-N 475.745 5.893 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(Br)cc1 409142563 LVLWDTSTNVNCRG-XMMPIXPASA-N 493.357 5.351 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1cc(C)ccc1C 409257255 RTQRUSVGZLFSRZ-HYARGMPZSA-N 469.541 5.184 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1OC 409320245 AAOYLHJJLCCLPF-MBTHVWNTSA-N 487.383 6.134 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OC)c(Br)c2)ccc1OCc1ccccc1 409320561 DJHVZYQOMZATIN-YSMPRRRNSA-N 483.362 5.199 50 40 JKGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(Br)c1 409378477 PVDQVPXENHAADV-NDENLUEZSA-N 450.336 5.124 50 40 JKGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/C=C/c1ccco1 1744011 OXDZZYGZTKSWKG-RBPBNGIGSA-N 466.613 5.484 50 40 JKGB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccccc1OC 1932483 ZSTDSLWNHHCWMA-SFQUDFHCSA-N 466.946 5.799 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccc(Br)cc1 9311790 OEHCHTRMSSVION-YUMHPJSZSA-N 460.375 5.703 50 40 JKGB O=C(N/N=C/c1ccccc1Oc1ccccc1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 12960377 KYPVXYPSJVCWGM-OCSSWDANSA-N 491.374 7.129 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 14408736 ZCDKWUMAXJIEEA-RWPZCVJISA-N 487.383 5.673 50 40 JKGB Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)Sc3ccccc3)c2C)c1 20243742 BNZLUUGDIGUTAI-YMSFFTPVSA-N 484.463 6.104 50 40 JKGB C/C(=N\NC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1ccc(OC(C)C)cc1 20550403 YZRHLXOHBDPBKS-RUMWWMSVSA-N 465.597 6.966 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 22536872 IJUUHVIMFFHDLX-CYVLTUHYSA-N 454.917 5.747 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 34764773 YJVNGJQZAHCHDS-KCSSXMTESA-N 494.978 6.998 50 40 JKGB CC(C)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3nccs3)N=C3CCCC(O)=C32)cc1 102891048 BPRGCZCTBQENBW-OAQYLSRUSA-N 464.616 5.908 50 40 JKGB CCS(CC)(CC)C[C@@H]1CCCC2=CC[C@@H](P(=O)(c3ccccc3)c3ccccc3)C[C@H]21 102942011 QSMSZCUPJSORMZ-RFYMFKDESA-N 468.687 7.370 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)c1ccccc1F 108018230 UDEFKTKTHDKDAP-ATVHPVEESA-N 451.295 5.670 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1cccc(C)c1 136981787 NGFYRDSNVMGXHC-HYARGMPZSA-N 460.961 6.480 50 40 JKGB CCCOc1ccc(C(=O)N/N=C(\C)c2cc(Br)ccc2Br)cc1 216069263 OILBJNHGYPMPLO-CIAFOILYSA-N 454.162 5.154 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccccc1C#N 408567317 CWQLAKOPHBTLBA-OCKHKDLRSA-N 472.907 6.269 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 408579745 JXTLASNWUPCNQI-UDWIEESQSA-N 481.379 6.782 50 40 JKGB COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Br)c1OCc1ccccc1 408691615 IMVITESFQSUXCX-JAIQZWGSSA-N 474.358 5.994 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)o1 408758591 NICCIFYFSWDVCI-GXDHUFHOSA-N 499.264 5.314 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)NCCc2ccccc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 408805429 AZXSXCMTQXELPQ-CJLVFECKSA-N 488.418 6.571 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccccc1F 408812326 OMOKDCFEJOHWBP-BOPFTXTBSA-N 469.285 5.852 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)c(Br)cc1OCc1ccccc1 408855866 GDFBUQVMCWOBLZ-VULFUBBASA-N 487.781 5.844 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1Cc1cccc(F)c1 408870344 WGFSBJMDPXUALU-RQZCQDPDSA-N 499.767 6.387 50 40 JKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)c([N+](=O)[O-])c1 408893802 HSFZLYYVSLTPRQ-UKTHLTGXSA-N 452.810 5.271 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1cccc(C(F)(F)F)c1 408963345 NIJSKIVLCXRCEJ-KVSWJAHQSA-N 467.274 6.355 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1Cl 409053282 NYRTWIUQXKAYEW-LUOAPIJWSA-N 482.194 6.952 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 409210005 IYIDYSMYJYWJRY-OKCVXOCRSA-N 484.024 6.739 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc2ccccc2c1 409239920 OKUPYPNWZWVJJV-YIRYVTQCSA-N 496.994 6.865 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccccc1F 409250849 YKNBLYQOJNMXJW-ULJHMMPZSA-N 458.533 5.459 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 409256060 JLMZQWXXNNNBLU-FUSDPXDGSA-N 482.367 5.076 50 40 JKGB Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)[nH]c12 409397613 LWHOXSCFLBIVKT-UHFFFAOYSA-N 463.493 5.719 50 40 JKGB COC(=O)[C@H](C)c1ccc([C@@H](Br)CC(C)(C)C)c(-c2ccc(C(F)(F)F)cc2)c1 575362711 OSHXFLPIIDVOTF-VLIAUNLRSA-N 471.357 7.521 50 40 JKGB COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@]12C 888090839 XDHSPKUJYNEBHS-ITNQWYRLSA-N 481.471 5.308 50 40 JKGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C/c1ccc(-c3cc([N+](=O)[O-])ccc3Cl)o1)CO2 1763220 NYLDUQSVGYJISB-SHIRAINQSA-N 483.908 5.096 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2ccc3ccccc3c2)ccc1OC(=O)c1ccccc1 3092479 BJCGBZISRKAINB-UXHLAJHPSA-N 467.525 5.020 50 40 JKGB Cc1c(Cl)cccc1-n1c(SCC(=O)C(C#N)=C2Nc3ccccc3N2)nc2ccccc2c1=O 3292368 XCCDVIHGLBYWMU-UHFFFAOYSA-N 499.983 5.282 50 40 JKGB Cc1[nH]c2ccccc2c1C1(c2c(C)[nH]c3ccccc23)C(=O)N(CCCl)c2ccccc21 8398304 OKTMVMJXBSLGRO-UHFFFAOYSA-N 453.973 6.186 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1C 8738988 OKDKSZHZGYYUGK-CVMWMZFYSA-N 484.600 5.229 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccccc1 9907410 JYJYTGOBRPZSOE-NDENLUEZSA-N 458.315 5.445 50 40 JKGB CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)cc1 12566838 GQNNWDWQWOESMG-UHFFFAOYSA-N 466.647 5.692 50 40 JKGB O[C@@H](CBr)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 13213627 MPKHSUSSUPCKRQ-INIZCTEOSA-N 465.989 6.944 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)c1 13686382 VJQUMSOOOFPVTA-ABPPERTMSA-N 453.567 5.368 50 40 JKGB O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cc2c(ccc3ccccc32)o1 16526110 KUHMPDGTTLSTSV-ZMFRSBBQSA-N 459.845 6.172 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)o1 33664464 ATCCELGUOFONRO-JJFYIABZSA-N 450.432 5.050 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1O[C@@H](C)CC 33702356 GNDVZIMVDCHFBM-HAKPAVFJSA-N 454.368 6.274 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1Cl 34887578 SYTDHQJDTQJIRX-WQRHYEAKSA-N 486.877 6.492 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)[nH]c2c1 35152674 LLDIGMJMMHDEEM-AQTBWJFISA-N 465.944 6.182 50 40 JKGB N#CC(C#N)=C1C=C2N[C@@]34CCCC[C@@H]3[C@@H](c3ccccc3)C=C(c3ccccc3)N4C2=CC1=O 49864532 FGOLVDVSZTWLSE-BSYIANFGSA-N 456.549 5.311 50 40 JKGB Sc1oc(-c2ccc(Cl)cc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97949733 FQHVJEYGBUJSOB-UHFFFAOYSA-O 472.957 5.903 50 40 JKGB Cc1cc(NS(=O)(=O)c2ccc(N/C=C(/C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2)no1 101179194 NEMVKWXZCCEJLP-VBKFSLOCSA-N 497.989 5.537 50 40 JKGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)c1 106379952 FGRBPMPXMXRVEJ-MZJWZYIUSA-N 489.373 5.174 50 40 JKGB CCOc1cc(OCC)c(C(=O)c2ccccc2)cc1/C=C(/C#N)c1nc2ccc(F)cc2[nH]1 408569454 NUDUEAGLMLCXDE-UNOMPAQXSA-N 455.489 5.795 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)ccc1OCc1cccc2ccccc12 408585690 HFYHBRDVIJIKCF-UCQKPKSFSA-N 474.387 8.188 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408796450 OGDKMEMKLSLQEJ-FYJGNVAPSA-N 473.359 7.271 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1cccc2ccccc12 408808944 GNRBOPNFSYQBNW-XQNSMLJCSA-N 466.512 6.502 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1c(C)ccc2ccccc12 408811070 JZNMQYHINRRXCH-XQNSMLJCSA-N 496.994 7.325 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OC)c1OCc1ccc(C)cc1 408817473 WJNNXAIJDVCEKY-QQXSKIMKSA-N 482.580 5.543 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(C)c(C)c1 408819046 ZRZVUXVPLWNEBO-MFKUBSTISA-N 454.570 6.444 50 40 JKGB Cc1ccc(NC(=O)N/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 408856027 GYLOFGBVMCSIEO-JJFYIABZSA-N 464.772 6.311 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(Cl)c2)cc1C 408883227 SAHUCXNKHSHALD-UDWIEESQSA-N 495.804 6.844 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1cccc(Br)c1 408962533 STUVUMZJGDSFAH-WYMPLXKRSA-N 481.306 5.275 50 40 JKGB COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=N\NC(=O)c3ccc4ccccc4c3)c2C)c1 408994471 ZKJQRPRSTCEKGS-MBTHVWNTSA-N 459.933 5.451 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 409052436 SJEOWTDBJIDISI-KKMKTNMSSA-N 461.320 5.792 50 40 JKGB Cc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(Cl)cc3Cl)cccc2[N+](=O)[O-])cc1 409227281 XSQWTSNGSRDKHF-ROTLSHHCSA-N 472.284 5.193 50 40 JKGB Cc1c(/C=N/NC(=O)[C@H](O)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 409273600 ZILUWNLNKRBUQA-WIGBRQBFSA-N 466.368 5.489 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccc(I)cc1 409393999 UDULHSGDYZRXBP-ODLFYWEKSA-N 485.296 6.082 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)n1 1096446 RGPUNVVVBMRGOT-YSURURNPSA-N 462.406 5.050 50 40 JKGB C[C@H](Cl)CN(Cc1cc(O)c(CN(C[C@@H](C)Cl)C[C@@H](C)Cl)cc1O)C[C@@H](C)Cl 1666766 IFUUBDRVHHROIC-FPCVCCKLSA-N 474.300 5.211 50 40 JKGB ClCCN(CCCl)CCN1c2ccc3ccccc3c2Sc2c1ccc1ccccc21 1690561 HXRJEKDIHLPGDA-UHFFFAOYSA-N 467.465 7.375 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1 2077267 RCFAPKPQKPBKAI-CVKSISIWSA-N 491.594 5.157 50 40 JKGB O=C(CCSSCCC(=O)Nc1cccc(Cl)c1F)Nc1cccc(Cl)c1F 2142779 BQELLBSAWBRLFJ-UHFFFAOYSA-N 465.374 6.010 50 40 JKGB Cc1ccccc1-n1c(SCC(=O)N/N=C/c2cccc(Cl)c2Cl)nc2ccccc2c1=O 2223546 BMNWGNZKDYTXJX-UVHMKAGCSA-N 497.407 5.243 50 40 JKGB Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 2393106 PHRRKXKRDYQMHO-GUNDDFSMSA-N 471.557 5.508 50 40 JKGB CCn1c(C)nc2cc(C(=O)N/N=C/c3sc(N4CCCCC4)nc3-c3cccs3)ccc21 2651990 KYOWOGTXEAOIPA-MFKUBSTISA-N 478.647 5.304 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(Br)c1O 9075496 CESVUAMEVZJSNG-WCIBSUBMSA-N 482.186 6.658 50 40 JKGB COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1 9428611 JPKXZZXVWOPLJB-WGOQTCKBSA-N 463.607 5.010 50 40 JKGB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(Br)o1 12273681 ZLXLRPMIZRAVDA-UKTHLTGXSA-N 489.322 5.632 50 40 JKGB O=C(NNc1nc(-c2ccc(Sc3ccccc3)cc2)cs1)c1ccc(Br)cc1 13382131 NMWRXLKXOWVSCU-UHFFFAOYSA-N 482.428 6.481 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 20197346 PEMDJVSGPIZINM-JVWAILMASA-N 497.389 5.589 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 20765050 CAPYWNRLSTVQHP-JVWAILMASA-N 456.502 5.069 50 40 JKGB O=C(CCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)N/N=C/c1ccc(Cl)cc1 32109916 XBZGOIJVGZVREX-WPWMEQJKSA-N 460.990 6.030 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1F 33393389 VZVQVWXBJWHSCZ-BOPFTXTBSA-N 479.895 5.051 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(I)c1)c1ccccc1F 35044351 NWAXOVRKLLSAFO-ODLFYWEKSA-N 480.280 5.945 50 40 JKGB Cc1ccc(C(=O)NNC(=O)c2nc(-c3ccccc3)oc2Sc2ccc(Cl)cc2)cc1 41154344 DDPVNOMZZFQYFA-UHFFFAOYSA-N 463.946 5.529 50 40 JKGB CC(C)CCOc1ccc(CN2C(=O)/C(=N\NC(=O)c3ccccc3Cl)c3ccccc32)cc1 46085035 KHOMIPNRAURSHX-GNVQSUKOSA-N 475.976 5.446 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)cc1 59304454 IMFGMXSSRJIQFY-QNKGDIEWSA-N 486.619 6.933 50 40 JKGB COc1cc([C@@H]2[C@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1ccccc1 102836046 OUUABTOZVPYXLW-SNUWEPMUSA-N 492.623 6.140 50 40 JKGB FC(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103528916 ZOLILARMVLMSRP-REOHCLBHSA-N 491.988 5.846 50 40 JKGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(O)CCCC3=N2)cc1 103700410 RMSLAMDUBJKYCT-DEOSSOPVSA-N 494.016 6.380 50 40 JKGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 107716619 FTOKMFJFQAHBMJ-KKMKTNMSSA-N 490.774 5.948 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 108104960 NYYCPHNVSVGKKG-NVMNQCDNSA-N 474.904 6.085 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1Cl 208822210 DGQLFORRRUDAQH-LICLKQGHSA-N 494.776 6.631 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1 216042815 KREYYWFTABSOHF-MUXKCCDJSA-N 471.384 5.891 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)c1ccc2ccccc2c1 408549844 AEFJEBNZQFTRFV-XKZIYDEJSA-N 456.904 6.714 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1Br 408600050 SDZMBXHIBPLRIA-JFLMPSFJSA-N 466.423 6.226 50 40 JKGB CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 408724308 AQFJCTCKFOSRNJ-ZROIWOOFSA-N 496.732 5.288 50 40 JKGB COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 408755503 VFKLKMWBMJMUAT-ATVHPVEESA-N 496.350 5.565 50 40 JKGB Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(I)cc1 408777137 VUCUCNYGISAYTC-ATVHPVEESA-N 464.310 5.639 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1I 408790301 OSGPBLCDLPJKSJ-GZTJUZNOSA-N 458.299 5.019 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)Nc1ccccc1Cl 408790765 YKGIPCFBNOEXPR-YBFXNURJSA-N 492.760 6.099 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1Cl 408792539 KOWXQSBVORZOGD-CIAFOILYSA-N 495.406 7.134 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)c1 408798556 VRXVHULIVKANGE-KOEQRZSOSA-N 455.561 7.005 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1Cc1cccc(F)c1 408867381 JSSROMJZDRLIJV-VCHYOVAHSA-N 465.322 5.733 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 408875068 CITUEMFNMNVEQZ-DEDYPNTBSA-N 461.905 5.935 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1cccc2ccccc12 408880346 HLAPTGUKSIPQRS-ZCTHSVRISA-N 474.516 5.985 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc23)cc1 408884031 VRQNOLNCDKTRNF-PTGBLXJZSA-N 496.588 6.024 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)c(C)n1-c1ccc(Cl)c(Cl)c1 408885460 AHMPSVIOSZFLPZ-MHWRWJLKSA-N 454.313 5.645 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)cc2)c([N+](=O)[O-])c1 408890325 RJVSTHSQZAQLCL-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1ccc(Cl)cc1Cl 408891022 KATPXWCXCFUXBL-CCVNUDIWSA-N 487.383 6.052 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 408925139 QCSVGDXOLXKREL-LUOAPIJWSA-N 481.738 6.137 50 40 JKGB CCOc1cc(Br)c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OCC 408963084 MJNPIFCALBHESW-BHGWPJFGSA-N 459.262 5.029 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(C)cc1 409075424 YPACSDXTPFLHBG-OEAKJJBVSA-N 483.524 5.765 50 40 JKGB COc1cc(/C=N/NC(=O)CCSc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 409110637 FOQRPLMEGLZHDT-JVWAILMASA-N 469.006 5.869 50 40 JKGB COC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)O[C@](F)(C(=O)F)C(F)(F)F 1772820752 VFEAQWYBINWEKS-GSVOUGTGSA-N 494.097 5.100 50 40 JKGB CCn1c2ccccc2c2cc(/N=C/c3ccc(N(CCCl)CCCl)cc3C)ccc21 1674616 NKBQPVIFOIQDIT-RDRPBHBLSA-N 452.429 7.157 50 40 JKGB O=C(N/N=C/c1cc(/N=N/c2ccccc2)ccc1O)C(O)(c1ccccc1)c1ccccc1 8893677 IBQRSPCRQYSSOG-DOJSKZQGSA-N 450.498 5.194 50 40 JKGB CCCc1[nH]nc2c1[C@@H](c1cn(-c3ccccc3)nc1C13CC4CC(CC(C4)C1)C3)C(C#N)=C(N)O2 8951386 NDTUARPVJFIUPZ-ZYVLQRSRSA-N 480.616 5.234 50 40 JKGB CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccccc1F 9015041 AQBYLCXTEKEWSQ-YADHBBJMSA-N 495.576 5.091 50 40 JKGB CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(F)cc3)nnc2-c2ccccc2)cc1 9763760 MJFLWAAXRKITMO-MTDXEUNCSA-N 489.576 5.105 50 40 JKGB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccc(Nc3ccccc3)cc2)cc1 12566451 PUTSRPYIQZNVCA-HPPUGMLQSA-N 484.600 5.362 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N2)c1 13189432 TXONOKJKVLRSPY-XMMPIXPASA-N 492.044 6.086 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 33492458 BYHNELZDRQSMMJ-PDGQHHTCSA-N 453.325 6.127 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc2ccccc2c1 59336084 ORKFWZXNXMHCOY-BKUYFWCQSA-N 460.364 7.100 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccn3-c3ccccc3F)o2)cc1 108202717 WYBATEARIJQSKA-MNBJERMJSA-N 496.542 5.960 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1 408582737 PSIRYMHGNGKGPV-XDHOZWIPSA-N 454.751 6.754 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(OCc3ccccc3)cc2)N2C(=N1)SC(C#N)=C2N 408603681 GRSUCTNWECZCAD-VWLOTQADSA-N 493.592 5.289 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)c1 408743793 HLTSSELQTOPVMA-QRVIBDJDSA-N 487.386 7.580 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 408744576 GBZGVMCEGNSLQJ-WQRHYEAKSA-N 483.351 6.135 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc([N+](=O)[O-])c(Cl)c3)c2C)cc1 408747083 ZFXYOGDJLAPUPB-BOPFTXTBSA-N 450.882 5.210 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408752342 ABEGZFNGOJFHIG-SFQUDFHCSA-N 496.350 5.565 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)NCc1ccccc1 408765011 YPAVHYRYSLOTEO-BUVRLJJBSA-N 497.392 6.405 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 408775450 HGGSCGFYMGLFPO-WPWMEQJKSA-N 452.023 6.242 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 408792070 HIBIMZGCEBOZLQ-VCHYOVAHSA-N 482.323 6.335 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12)C(=O)Nc1ccc(O)cc1 408805054 CUUPPRGJYCSKTG-XMHGGMMESA-N 489.358 6.977 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccccc1 408805419 AWDIKBOFTOCVNE-VYVDHXHBSA-N 479.349 5.952 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccccc1F 408811944 BUFXTRQNZDBJLT-PXNMLYILSA-N 459.279 6.396 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=N\NC(=O)c3cc4ccccc4o3)cc2Br)cc1 408856979 MKLHPOTVPOEDMS-WKIKZPBSSA-N 497.776 6.500 50 40 JKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2Br)c1 408867268 LGHJURDQVNQUPI-SSDVNMTOSA-N 493.832 7.164 50 40 JKGB Cc1ccc(COc2c(Cl)cc([C@H]3C(C#N)=C(N)Oc4cc5c(cc43)OCO5)cc2Cl)cc1 409104196 GMTANVIXHPASCD-HSZRJFAPSA-N 481.335 5.828 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 409191155 ZZPLEUCRKFAHAR-XYGWBWBKSA-N 464.569 5.511 50 40 JKGB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)cc1 409222127 BLLHTUSWDJKPMW-WOJGMQOQSA-N 480.351 5.865 50 40 JKGB CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3C)=C2C#N)cc1 409317591 QLOVIXWEGPPDLC-MRXNPFEDSA-N 458.008 5.081 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1 409334923 MRCSQBARONCVFI-WEMUVCOSSA-N 471.560 6.584 50 40 JKGB Cc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c(C)n1-c1cccc(Br)c1 409393415 XBJYEMMTYSGYOV-RDRPBHBLSA-N 486.413 6.139 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1cccc(OC(=O)c2cccc(Br)c2)c1 3116066 HPZFCPSMWGAKRU-OGLMXYFKSA-N 487.353 5.514 50 40 JKGB N#C/C(=C1/SC=C(c2ccc(-c3ccccc3)cc2)N1c1ccccc1)c1nnc2n1CCCCC2 3185196 MBMIDNAFZIIPDN-BXVZCJGGSA-N 487.632 7.116 50 40 JKGB COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 9373358 DTJRDUGPZWOJBD-HYARGMPZSA-N 485.588 5.020 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1)c1ccc(Cl)cc1 9375090 GSYHVEBYOTXNMR-NTFVMDSBSA-N 479.367 6.117 50 40 JKGB N#C/C(=C\Nc1ccc(Br)cc1F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 11853118 IEBUNEABVYFSKR-DHZHZOJOSA-N 469.166 6.995 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2Cl)=C(C#N)[C@H]1c1ccccc1F 19901186 LSFIHDPGSYHCBL-HSZRJFAPSA-N 497.979 5.276 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccccc2)c(C)n1-c1ccccc1Br 20240726 RVTFIQYSDHMNRC-ZMOGYAJESA-N 456.409 5.240 50 40 JKGB COc1nsc2cc([N+](=O)[O-])cc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)c12 33354776 JYVCUVOTTXMHSG-UHFFFAOYSA-N 485.505 6.022 50 40 JKGB CCOc1cc(COc2ccccc2/C=N\NC(=O)c2ccc(C)cc2)ccc1OCc1ccccc1 35198638 YIJNFRYNZCLDDO-RGXNXFOYSA-N 494.591 6.316 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1C 59432671 HPBBHUXRSAHYIJ-WSDLNYQXSA-N 486.369 6.062 50 40 JKGB CCc1ccc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(Cc2ccc(C)cc2)c2ccccc23)cc1 67225334 HHOLJJIJWCOTMR-VWLOTQADSA-N 483.593 5.084 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1cc2cc([N+](=O)[O-])ccc2s1 108010367 FRSOLULFTZXANO-LQKURTRISA-N 481.533 6.306 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc(C)c1 108892409 HGLMNQATJJZQRA-NHDPSOOVSA-N 493.357 6.708 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OC)c1OCc1ccc(Cl)cc1Cl 109037481 RUXSJQKMTWFPBO-NDENLUEZSA-N 468.355 7.513 50 40 JKGB Cc1ccc(CC(=O)N/N=C\c2cccc(OCc3ccc(Br)cc3)c2)c(C)c1 216047007 XXIHSSZQLNSFAV-YSMPRRRNSA-N 451.364 5.338 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccccc1F 408542393 JAQFMOWWNNKRRL-GRSHGNNSSA-N 482.305 5.938 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)c3ccccc32)c1 408544149 VAYJOPYGHLIMBR-BKUYFWCQSA-N 483.955 5.984 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1F)c1ccc(Br)cc1 408578787 AWAJXJIFDIDYHV-WOJGMQOQSA-N 487.166 6.994 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 408579963 MBAYEUSUQUGWDJ-VIZOYTHASA-N 483.609 8.597 50 40 JKGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)c1C 408608311 HDDSVKPNQIJINT-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408677620 SVSBMLKKKQWCJM-RDRPBHBLSA-N 481.556 5.270 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Br)cc1 408734667 IHVDBSGYVKPUSQ-WOJGMQOQSA-N 497.776 6.236 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)c(Br)c1 408745624 UJSKTYFGXOMYCN-UNOMPAQXSA-N 481.777 6.536 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1)C(=O)NCc1ccccc1 408753922 OQBHQTKBAFRMOU-XDHOZWIPSA-N 480.351 5.234 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)c2C)cc1 408778250 ROZSAHDBUHMWLN-BKUYFWCQSA-N 461.949 5.778 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 408796277 NNTKPMIMOHFBED-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB O=C(Oc1c(Cl)cc(/C=N/NC(=O)c2cccc3ccccc23)cc1Cl)c1ccccc1 408889636 IEHXBLKDKRVQDC-RWPZCVJISA-N 463.320 6.130 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1-c1ccccc1Cl 408942731 RGPCCCRCSFXWQF-OPEKNORGSA-N 463.752 5.143 50 40 JKGB O=C(N/N=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1cc2ccccc2o1 408956151 YVRHRFKYPULQIQ-NTFVMDSBSA-N 465.465 5.837 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1ccc(Br)cc1 408967425 QNUIKBAKRJDQFK-CCVNUDIWSA-N 496.336 5.201 50 40 JKGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)cc(C)c3)cc2OC)c1 408985470 MHNQDTDKRVWLEL-FYJGNVAPSA-N 472.541 5.454 50 40 JKGB Cc1c(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)c2ccccc2n1C 409018530 VDHJKNPHMOFIFR-WYJRTQJISA-N 473.404 5.088 50 40 JKGB CC(C)COc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1Br 409043483 RBCHVXJSXPNSSO-CAOOACKPSA-N 492.211 5.470 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccc(C(=O)O)cc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1 409066341 ADSDOHCFXJCXFD-ODLFYWEKSA-N 466.415 5.528 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3cccc4ccccc34)c2C)cc1Br 409180651 YTVFHSPTFLBCIE-LQKURTRISA-N 474.402 6.011 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)cc2c1 409188207 XMOGZQLYMASGLX-ROTLSHHCSA-N 452.850 5.207 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(F)c2)c(Br)c1)c1ccccc1 409250584 XKIGAURUQZUQPM-WCEBZYJUSA-N 479.349 5.952 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 409269079 DRMHKCAHEIOPEW-VATWTLTGSA-N 473.356 5.155 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1Cl)Nc1ccccc1F 409378344 OGOWCBDEYXMOMD-LUOAPIJWSA-N 494.737 5.567 50 40 JKGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br 1095151 GQRHEYOCWVEFEJ-JHAVZTMOSA-N 460.284 5.045 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)C(c2ccccc2)c2ccccc2)cc1)C(=O)NCc1ccco1 1791038 GVXPOURZLBDUFY-HKOYGPOVSA-N 462.505 5.240 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccco1 2072894 NVVQAMNHAJUTRS-QFIPXVFZSA-N 483.977 5.039 50 40 JKGB C=CCSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 2298950 NGWHSQAGOZMKNL-HLIPFELVSA-N 484.952 5.493 50 40 JKGB N#CC(C#N)=Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccc(OCc3ccccc3)cc12 3048727 ZNKQJIFVFKEGRM-UHFFFAOYSA-N 478.861 6.707 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OCc2cccc(Cl)c2)c1 8812870 CQAGJRRRPDBVPG-DHRITJCHSA-N 473.754 5.454 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 16214613 KTMLGVLUWAKAGN-MUFRIFMGSA-N 491.012 6.323 50 40 JKGB N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccccc1OCc1ccccc1Cl 17143991 IHQCUWKGZNEAFJ-QFIPXVFZSA-N 472.953 5.712 50 40 JKGB Cc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 19953235 OSYHWWRXNODBDE-UHFFFAOYSA-N 497.705 6.276 50 40 JKGB O=C(NN=C1CCCCCCCCCCC1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 20240489 SNFVOLFAJWFJMZ-UHFFFAOYSA-N 488.720 6.395 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1cccc([N+](=O)[O-])c1 34878884 LXNDXOOXLOLASG-ZDLGFXPLSA-N 469.722 6.654 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccccc1 40889230 OQTWCBWGFZXTPO-UNOMPAQXSA-N 463.331 5.582 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(C)c1 59201871 YYUBIEYKIQWUAN-UDWIEESQSA-N 451.353 6.735 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 59245193 WJVCGJRATJYIIS-CPNJWEJPSA-N 495.348 6.112 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 59282001 IBKAKHWEUZRNBQ-LDADJPATSA-N 456.889 5.797 50 40 JKGB CC1(C)CC2=NC(SCC(=O)NCc3ccccc3)=C(C#N)[C@H](c3ccc(Cl)cc3)C2=C(O)C1 102627851 MNYSSPLTCNOBJM-DEOSSOPVSA-N 492.044 6.295 50 40 JKGB O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1)c1ccccc1Nc1ccc(Cl)cc1 104115364 TWZRFDYTIKLXOA-OGLMXYFKSA-N 489.834 6.132 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 105060166 CJJWZKXIRNHEPE-LGJNPRDNSA-N 459.329 5.110 50 40 JKGB CCOc1cc(COc2ccc(/C=N\NC(=O)c3ccc(C)cc3)cc2)ccc1OCc1ccccc1 408541260 YOIQWSIHPQWJDY-RGXNXFOYSA-N 494.591 6.316 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4Cl)cc3)CC2=O)cc1C 408604347 IGEURVZSOFAVDV-LJQANCHMSA-N 498.410 5.685 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccc(C)cc1 408678427 YZPXWIVKDSUASL-STBIYBPSSA-N 477.992 5.600 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2-c2cccc3ccccc23)cc1 408725421 OVRLMVOUSPLKTR-RDRPBHBLSA-N 475.508 5.673 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)c1 408743550 BATIPASEHKTWHL-UNOMPAQXSA-N 465.322 6.021 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(OCC)c1OCc1ccccc1 408745201 QAVXVZBJFSEVAZ-UQQQWYQISA-N 452.554 6.247 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cccc(Br)c1 408752053 BMVDYQBVLOKKKF-UFFVCSGVSA-N 493.111 5.144 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)cc1Cl 408779966 OTRFYHGJAOZLIZ-MTJSOVHGSA-N 495.406 7.134 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)c2C)sc2c1CCCC2 408782933 ZLCLYQSZNUEDTQ-STZFKDTASA-N 487.625 5.984 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)c1 408788105 BBFIYRGXPDTHLR-XDHOZWIPSA-N 492.329 5.790 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)cc1 408803594 QWCKCIGGSVPVHH-OQKWZONESA-N 493.519 6.271 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC 408829878 XPPLJVPUCIAAGE-WOJGMQOQSA-N 483.351 6.135 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)cc2)cc1 408868842 NQSJTZWCJSZRDX-RCCKNPSSSA-N 475.342 5.372 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1OCc1cccc2ccccc12 408877971 ZDZCDVPDAWQONA-NLRVBDNBSA-N 476.576 6.926 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC(=O)c1cccc2ccccc12 408898086 KMUQIGFQUYBBGA-HMMYKYKNSA-N 482.923 6.267 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)c1cccc(Cl)c1 408993490 DKQDVNSOQKTAPS-UNOMPAQXSA-N 471.725 6.588 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc4ccccc4c3)c2C)cc1Cl 408994102 FSLMDAOTDJMVAU-MBTHVWNTSA-N 459.933 5.451 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(Cl)c1 409053050 WQALZCNSBHDNCO-KVSWJAHQSA-N 470.787 6.722 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)NC2CCCC2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 409195476 VHKCLECMUZNRSG-PDGQHHTCSA-N 452.385 6.271 50 40 JKGB N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 409238261 CZNSIRGGEWZPBN-PDGQHHTCSA-N 479.889 6.907 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)ccc1OCc1ccccc1 409323745 PMSQSSBOVHDONK-GTWSWNCMSA-N 480.564 6.007 50 40 JKGB CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1 409334338 KYNFJOOHFJIFJA-GOSISDBHSA-N 484.419 5.031 50 40 JKGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl 409370863 UXTFDJDBJSOAKW-SFQUDFHCSA-N 496.350 5.565 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c1 409379366 WLBPWMXLCJUASS-LDADJPATSA-N 463.896 5.351 50 40 JKGB O=P(C(=S)Nc1cccc(I)c1)(c1ccccc1)c1ccccc1 2561318 NZBYJHANHRLFBF-UHFFFAOYSA-N 463.280 5.002 50 40 JKGB Cc1ccc2c(c1)[C@@H]1C(=S)SS[C@@H]1C(C)(C)N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3170453 UBFRPHDXYJIIDV-IRXDYDNUSA-N 465.021 6.170 50 40 JKGB O=C(N/N=c1/scc(-c2ccc(Br)cc2)n1-c1ccccc1)c1ccccc1 8695401 YOWAXGMYJCWGIS-YYDJUVGSSA-N 450.361 5.214 50 40 JKGB N#C/C(=C/Nc1cc(Cl)ccc1Cl)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 9008476 SDZMJHOHKUJYSH-XFXZXTDPSA-N 485.308 6.108 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3cn(CC(=O)Nc4ccc5c(c4)OCO5)c4ccccc34)[nH]c2cc1C 9235340 GBJFBNAZFAUGKC-YBFXNURJSA-N 489.535 5.566 50 40 JKGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(/N=N/c2cccc(Br)c2)ccc1O 9614411 INGKIIHQTYNANA-ZGQMNJRFSA-N 481.350 5.716 50 40 JKGB COc1ccc2cc(/C(C)=N/NC(=O)c3ccccc3OCc3ccc(Cl)cc3)ccc2c1 12565887 WUWLNHRPQTTWLW-RDRPBHBLSA-N 458.945 6.235 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1cccc([N+](=O)[O-])c1 33768650 QXBBIVDAAYPDHI-FMCGGJTJSA-N 485.337 7.154 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Br)cc1 35339433 NBGVWXNGMNOVMR-ODLFYWEKSA-N 465.303 6.009 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccc(C)cc1 59117402 MIVVBBNTZDFVCF-WOJGMQOQSA-N 481.335 6.075 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 59335373 BWFDRAMRRCRSIW-ODLFYWEKSA-N 495.348 6.030 50 40 JKGB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Sc2nc3ccccc3s2)o1 59459235 AHHXAABNBOUQFU-IVWKQIGUSA-N 492.409 6.265 50 40 JKGB c1ccc(-c2nn(-c3ccccc3)cc2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 97984667 IGMHLMBSBMWHGH-UHFFFAOYSA-N 495.586 7.033 50 40 JKGB CCN1c2cc(C)c(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)cc2C(C)=CC1(C)C 208524814 VHMXFOKCNSMBOD-WKIKZPBSSA-N 460.405 5.853 50 40 JKGB COc1cc(COc2ccccc2/C=N\NC(=O)Cc2ccccc2)ccc1OCc1ccccc1 408540496 SNLXLQDNKYNPFW-GTWSWNCMSA-N 480.564 5.546 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccccc1Cl 408678379 XWXAVACPHRAIHI-RDRPBHBLSA-N 477.992 5.682 50 40 JKGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 408758878 TWNGFLXGOZIAMP-VFLNYLIXSA-N 495.284 5.924 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 408809961 HWBNBDSHMQTWSC-XDJHFCHBSA-N 475.932 5.302 50 40 JKGB Cc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1 408878586 ASZGXCNXFXOGDV-QGOAFFKASA-N 451.309 6.067 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12 408880680 GTFCFMKVXNGIJQ-HAVVHWLPSA-N 477.520 6.435 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2F)ccc2ccccc12)C(=O)Nc1ccccc1Cl 408882829 RDLUAIMDLJSROA-HMMYKYKNSA-N 456.904 6.757 50 40 JKGB N#C/C(=C/c1cccc(OCc2cccc(Cl)c2)c1)C(=O)Nc1cccc(C(F)(F)F)c1 408941604 XIAVTOXLEWHLSP-ZDLGFXPLSA-N 456.851 6.483 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)c1 409041215 JEFQJWXSKVKCCN-LDADJPATSA-N 487.357 5.716 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1Cl 409063403 BGBABDZJPDSCFH-FOWTUZBSSA-N 473.337 5.307 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 409357255 PNMHCFPMBUGYGG-CCVNUDIWSA-N 455.917 5.019 50 40 JKGB COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)cc1 409375869 QEAXNFRLXBPLPN-BOPFTXTBSA-N 496.350 5.565 50 40 JKGB COc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1 409390481 DDHKMHKOVYTSOW-COEJQBHMSA-N 450.538 5.556 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1cccc(F)c1 409394215 XGSCSWSTABUIOX-XKZIYDEJSA-N 458.330 7.385 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1cccc(Cl)c1 2078209 ISSZLVMUNHMAFH-LGJNPRDNSA-N 481.961 5.311 50 40 JKGB Cn1/c(=N\NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)sc2ccccc21 3254719 HNJHWTRGLIKRLF-KKYHWDRJSA-N 486.600 6.368 50 40 JKGB Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cccc(O)c3)c2-c2ccccc2)cc1 3668991 RYOHKGXVYQZUAV-RUMWWMSVSA-N 471.560 6.589 50 40 JKGB COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccccc3Cl)n2-c2ccccc2)cc1 6013976 AYNPPDWNGJYXPO-PKAZHMFMSA-N 492.004 5.229 50 40 JKGB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)c(C)c1 8642523 BLONXUJRZCUFTO-NBVRZTHBSA-N 450.523 5.778 50 40 JKGB Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)ccc1OC(C)C 9309924 QJGYDPDNXNXTQT-CJLVFECKSA-N 476.605 7.309 50 40 JKGB Cc1ccc(C(C)C)c(OCCn2c(C)c(/C=N/NC(=O)c3ccncc3)c3ccccc32)c1 9730825 AOWBHSAMCJNCPP-UXHLAJHPSA-N 454.574 5.619 50 40 JKGB CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(O)cc3)nc3ccccc23)cc1 13322304 VXUVNSLSAPGCLC-OCSSWDANSA-N 452.514 5.110 50 40 JKGB COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C 16439293 BHYPMVCPLBUAQB-VGOFMYFVSA-N 464.157 5.383 50 40 JKGB COc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(C)cc1 28218073 UJNOTNNYDNGKAZ-AFUMVMLFSA-N 468.351 5.501 50 40 JKGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2C)c1 58913329 VDEYZNWJNMRJQB-XKJRVUDJSA-N 490.913 5.472 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 59292062 UEBYZFSILQBAQK-DEDYPNTBSA-N 477.358 5.891 50 40 JKGB CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H](SC#N)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 118932539 OZCSWRIJMBFXQD-YOKXJWJOSA-N 485.778 8.152 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OCC 408538427 MRXFNYGRVDQLCC-ZHZULCJRSA-N 485.422 6.661 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)O)cc1 408542466 LRRXKAWXXZNFNL-ODLFYWEKSA-N 479.286 5.699 50 40 JKGB COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3)n2)c1 408724915 MXRZSJRYBDUUAW-NDZAJKAJSA-N 476.536 5.474 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccccc1C#N 408740666 CZTVJLOZCHDFFC-JAIQZWGSSA-N 488.341 5.454 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)cc1 408741664 RKVQZFCVXZPXTQ-RDRPBHBLSA-N 453.590 5.332 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccccc1 408742465 AKZTXKYWSBFYIH-ZHZULCJRSA-N 477.358 5.972 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1ccc2ccccc2c1 408760067 QVHCMLHQFUTLBF-HYARGMPZSA-N 452.897 6.258 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1C 408791795 CPKODTXJKHPOKG-VXLYETTFSA-N 485.798 7.388 50 40 JKGB N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1ccc(OCc2ccccc2)cc1 408794924 KMHGUDKOWRNVCC-VCHYOVAHSA-N 477.314 5.302 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)c1 408810908 QFUFREMYZLACMI-CJLVFECKSA-N 463.493 6.181 50 40 JKGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408817707 WEIXEEVCYSCGHX-UKOFFBAASA-N 471.370 5.769 50 40 JKGB Cc1cccc(NC(=O)Cn2cc(/C=N\NC(=O)c3cc4ccccc4o3)c3ccccc32)c1 408858319 RSKYEVZFJMTWDR-MBTHVWNTSA-N 450.498 5.099 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3cccc(F)c3)c(OC)c2)cc1 408881210 KGBQCJTXWCBRJM-YBFXNURJSA-N 464.924 6.023 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc3ccccc23)c([N+](=O)[O-])c1 408881443 NCRWZOVFJKEUMJ-PXLXIMEGSA-N 479.492 5.881 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1OCc1ccccc1Cl 409074036 XMBKXGGUAOUUQX-KGENOOAVSA-N 476.935 6.341 50 40 JKGB COc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc(Br)c1OC 409124877 LEAXNKIHVKBXJZ-GZIVZEMBSA-N 492.222 5.157 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1OC 409310697 CJWOTPHBBAXSLT-NTFVMDSBSA-N 480.948 5.265 50 40 JKGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(C)cc1 1888408 ABNJWGPLAQUSRZ-JUJXNAJKSA-N 461.370 5.291 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)sc(C(=O)OC(C)(C)C)c1C 2399219 YQTXCCLFGUMVIC-LGMDPLHJSA-N 495.626 6.289 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C#N)cc2)cc(I)c1OCc1ccccc1 2870616 VKVOBLUOPJOZOD-SRZZPIQSSA-N 492.316 5.815 50 40 JKGB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12 3143715 XRPQFXULNITHKL-FMFFXOCNSA-N 471.560 5.391 50 40 JKGB CCOC(=O)c1c(NC(=O)c2cc3ccccc3nc2Cl)sc(SC#N)c1-c1ccccc1 3166108 MVXROJKNGJOALF-UHFFFAOYSA-N 493.997 6.619 50 40 JKGB CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4ccccc4[N+](=O)[O-])o3)sc2c1 3667042 HTCLWOREPVFNHK-WSDLNYQXSA-N 468.516 5.111 50 40 JKGB CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OCC)cc1 4290900 RJQOBZKDNFHTOL-QATUVXTASA-N 463.530 5.353 50 40 JKGB CCC[C@H](Br)C(=O)Nc1nc2ccc(OCc3ccc(Cl)cc3)cc2s1 20132739 ALLXJHQVBGBQGG-HNNXBMFYSA-N 453.789 6.031 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 33728844 ONMZGGCONBYHQR-QNGOZBTKSA-N 485.337 7.154 50 40 JKGB COc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(OC)c1 34887766 KUSSBBFPYFHGPL-IPPBACCNSA-N 496.394 6.086 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1F 59117510 UAWBOKWSXFKCJJ-LICLKQGHSA-N 471.315 6.266 50 40 JKGB O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccccn1 59427563 JIOOIXOOQUOIKV-UZWMFBFFSA-N 476.967 6.624 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)ccc1OCc1ccc(Cl)cc1 59474297 GTOSBSKQIRTEPJ-WKULSOCRSA-N 497.060 6.318 50 40 JKGB COc1ccc([C@@H]2CC3=Nc4ccccc4N(C(=O)CCl)[C@@H](c4cccc(F)c4)C3=C(O)C2)cc1 101494624 JHVMGDSLCHCUKQ-GDJIYFAZSA-N 490.962 6.623 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OCc1ccccc1Cl 408532866 RJCFWANLRJGHCA-RWPZCVJISA-N 451.954 5.188 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1O[C@@H](C)CC 408552865 LFHPLSQEXQCHDI-ADFUCPMPSA-N 484.021 6.274 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1ccc(Cl)cc1Cl 408581048 TULBSBMIAKMUIG-VXLYETTFSA-N 499.224 9.097 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Br)c1OCc1ccc(Cl)cc1 408725230 KBXYCSRWLPQKEV-BRJLIKDPSA-N 491.769 5.746 50 40 JKGB O=C(CSCc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 408727759 RVLOELWNMBVEKD-DHRITJCHSA-N 469.950 5.211 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1 408744254 JVLRVBQVMNNSLO-SFQUDFHCSA-N 454.755 6.056 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1c(C)ccc2ccccc12 408797095 FYIZINQHXXTEIL-PCLIKHOPSA-N 476.576 6.898 50 40 JKGB CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(I)cc1 408898955 YOYUVSKOYUFBAW-OBGWFSINSA-N 474.342 5.796 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)c2C)cc1C 408934921 DLAIURQBDDLRFP-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408998237 UDKMGKZPGUSUPY-UHBFCERESA-N 492.406 6.744 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccc(O)cc1 409076565 AQCHZDFKBXARPK-NTEUORMPSA-N 480.820 5.200 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4cccc(Br)c4)c3C)cc2c1 409186560 DTQSFUSATXCHQD-WGARJPEWSA-N 480.362 5.765 50 40 JKGB Cc1ccccc1OCCCn1cc(/C=C(\C#N)C(=O)NCc2cccs2)c2ccccc21 409206270 SJYRPUOACHBEHL-LTGZKZEYSA-N 455.583 5.704 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1cccc(Br)c1 409231753 KJGGREHPIZIOCM-YVLHZVERSA-N 488.307 6.421 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Cl)c(C)c1 409262409 INWSXUKCUFAPHF-WKIKZPBSSA-N 470.356 5.392 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1OC 409313418 BXMZNWVIXLGDGR-VYYCAZPPSA-N 473.356 5.744 50 40 JKGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1Cl 409318771 ZLHNVZTWSRWCNG-QRQIAZFYSA-N 464.949 5.646 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(Cl)c3)[nH]c2c1 409391535 JMZWBWUALREATD-PXNMLYILSA-N 468.315 6.661 50 40 JKGB c1ccc2sc(Nc3ccc(OOc4ccc(Nc5nc6ccccc6s5)cc4)cc3)nc2c1 2179597 POHDBKOJOSDRKK-UHFFFAOYSA-N 482.590 7.766 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2)c1C 2214009 GYUCKAIWGLUKEF-RDKICWGTSA-N 488.012 6.022 50 40 JKGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccccc3Cl)c2)c1 3102468 WKEFCXWVLPZOAI-RWPZCVJISA-N 464.949 5.520 50 40 JKGB Cc1nc2ccc(C(=O)N/N=C\c3cn(Cc4cnc(Cl)s4)c4ccccc34)cc2nc1C 8763345 JNPDNKJZNJEODX-NCAUGAEKSA-N 474.977 5.123 50 40 JKGB O=C(COc1cccc(Br)c1)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1 9259288 FGDZAHAOJARZCE-SSDVNMTOSA-N 465.756 5.376 50 40 JKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 10059263 IHJNEXXYDRPQMZ-HRXXRIAWSA-N 499.394 6.255 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 10475988 NEPWQNMZDOMPNC-JVWAILMASA-N 452.938 5.019 50 40 JKGB C/C(=N\NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccc2ccccc2c1O 12311437 CEPSFXQLHWJKEQ-KBVAKVRCSA-N 465.940 6.568 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3F)c2C)cc1 16268475 IWVPKJRHYMGDIY-ODLFYWEKSA-N 482.353 5.228 50 40 JKGB CCOC(=O)/C(C#N)=C/C=C(/c1ccc(Cl)cc1)N1CCN(c2ccccc2Cl)CC1 16682007 MYTHJJSHWFJWSQ-QMKCQUQVSA-N 456.373 5.170 50 40 JKGB C/C(=N\NC(=O)CSC1c2ccccc2-c2ccccc21)c1ccc(Br)cc1 20247396 AEEQIZUJHZRHAH-MFKUBSTISA-N 451.389 5.793 50 40 JKGB N#CC1=C(N)O[C@H]2[C@@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1cc(Cl)ccc1Cl 35183011 GRJUKLJTUXBPKT-MDZRGWNJSA-N 453.251 5.182 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3Cl)o2)cc1 51314986 QYEAPNNOAUTLQJ-WJDWOHSUSA-N 455.297 5.976 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)c(C)n1-c1ccc(Cl)cc1Cl 58912834 WMWQXILPVFJNKL-UVHMKAGCSA-N 471.388 5.613 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 59117455 PONGCFLOSIRSBG-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB CC[C@@H](C)c1ccc(-c2cc(C(=O)NN=C3CCN(Cc4ccccc4)CC3)c3ccccc3n2)cc1 96288454 VPZNUIPDGZITPN-HSZRJFAPSA-N 490.651 6.797 50 40 JKGB N#C/C(=C/c1cccn1-c1ccc(I)cc1)c1nc2ccc(F)cc2[nH]1 408570785 YMVHGRJXROYHLR-RAXLEYEMSA-N 454.246 5.161 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(Cl)c1 408739434 BXUSFWVJXJXGNH-XODNFHPESA-N 486.786 7.078 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 408758212 HOLCGPAJGPQVJQ-NBVRZTHBSA-N 477.314 5.223 50 40 JKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)c1 408783590 NHAHFUDYTGRWAX-SFQUDFHCSA-N 451.320 6.042 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(OCc2ccc(Br)cc2)c1 408801278 UQDBWJLSNLXACN-LDADJPATSA-N 479.330 5.288 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 408810576 JZOLPDDWZHFYGP-JAIQZWGSSA-N 497.378 5.813 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408819840 UGDINDKEUKIVQR-REZTVBANSA-N 490.774 6.295 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(C)c1OCc1ccc(Cl)cc1Cl 408850481 ATRYUWFYQBTPHZ-VXLYETTFSA-N 485.798 7.388 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(OC)c1 408865574 CZUAJWVHDYGQOG-KGENOOAVSA-N 491.385 6.145 50 40 JKGB O=C(CCc1ccccc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 408867193 JJADFOBRERLRPF-MFKUBSTISA-N 482.334 5.019 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408882704 RWTSJNQZDPJEII-CXUHLZMHSA-N 489.831 5.366 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1cccc(C(F)(F)F)c1 408964457 RROZJWLXSBEDCX-UVHMKAGCSA-N 477.280 5.811 50 40 JKGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OCC 409033742 PHVJTNZSIPDVKH-YKQZZPSBSA-N 485.971 6.283 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1OCc1cccc(F)c1 409068733 HSTVCHDJQUXGLH-ZVHZXABRSA-N 470.544 6.304 50 40 JKGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 409219903 RMRYINGDVHDIGQ-SFQUDFHCSA-N 499.876 5.922 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1cccc(F)c1 409244101 XRVMCVBTBOMFKJ-XKZIYDEJSA-N 478.951 5.723 50 40 JKGB Cc1c(/C=N/NC(=O)CC2(C)SCCS2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 409255481 KVQJFQIXMRETSP-LGJNPRDNSA-N 492.497 6.341 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1OC 409313076 BGKXMXQBBGAMSF-RHANQZHGSA-N 478.520 5.141 50 40 JKGB N#CC(=C\c1c[nH]c2ccccc12)/C(O)=N/c1ncc(Cc2ccc(Cl)cc2Cl)s1 1246267 GXPGVSDXXPCWTQ-VGOFMYFVSA-N 453.354 6.717 50 40 JKGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccco2)c1 1435431 PFLMRNZANJRSQX-LGJNPRDNSA-N 499.361 5.222 50 40 JKGB CCc1cc2c3c(c1)[C@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@]21C(C#N)=C(N)OC2=C1C(=O)CCC2 2231261 GIBPYHQAWRMZBY-CONSDPRKSA-N 493.607 5.053 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OCc1ccc(Cl)cc1 3343649 YZQUIIIOSNOPPF-LPYMAVHISA-N 460.961 6.399 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1 8722675 WJGPWMBIXWGSRN-LGJNPRDNSA-N 487.781 5.762 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(F)c(F)c1F 9187442 ADDGJIBHSJADSJ-LFIBNONCSA-N 492.457 5.461 50 40 JKGB CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1ccc(OCc2cccc(C)c2)c(OC)c1 12412732 HFLCMRAXACHWNX-HHHXNRCGSA-N 484.552 5.727 50 40 JKGB C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(C2CCCCC2)cc1 12569903 NWCNXXBNAGCMEU-NLRVBDNBSA-N 481.643 5.751 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2cccnc2)cc1 16700993 ZKBNMGWKFKTJSJ-JJIBRWJFSA-N 477.568 5.337 50 40 JKGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)[C@@]1(C)CC[C@@H](c2nc3ccccc3[nH]2)C1(C)C 22747069 RSKPKTQRNONGQM-AMUOUEDRSA-N 489.023 5.771 50 40 JKGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 28214210 FLKXDIUBUHPKAD-NKZWWHGNSA-N 485.968 5.128 50 40 JKGB Cc1ccc(-c2ccc(/C=N\NC(=O)c3cccc(C(F)(F)F)c3)o2)c(Br)c1 32194042 ZUHMSNMRCDGBPB-GATIEOLUSA-N 451.242 5.800 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl 33647173 LRMNQCMNBMHSBB-WJDWOHSUSA-N 451.781 7.152 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1OCc1ccccc1Cl 35211507 FVWCBROJDOOISH-PDGQHHTCSA-N 486.877 6.492 50 40 JKGB O=C(N/N=C\c1cn(Cc2ccccc2)c2ccccc12)c1cccc(I)c1 71335840 GFFUVFKJBJSCFP-QFEZKATASA-N 479.321 5.058 50 40 JKGB Cc1cc(NS(=O)(=O)c2ccc(N/C=C(/C#N)c3nc(-c4ccc(C)c(C)c4)cs3)cc2)no1 101179207 WNUQWEQGBYLSBO-UYRXBGFRSA-N 491.598 5.501 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 106113418 QADIGRCJHHCNDU-CAQPMQTCSA-N 482.671 8.779 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccccc1F 108115005 BNXZEKCYNKQZNB-WQRHYEAKSA-N 470.313 6.769 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(OC)c1 108163578 XPXWDOSENDCRLN-XODNFHPESA-N 482.367 5.778 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(Br)c1OCc1ccccc1 408526507 CHDCDOMPEMWPCB-ODLFYWEKSA-N 499.202 6.863 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(C2CCCCC2)cc1 408733830 AQQZDAVOUPXFTG-LFVJCYFKSA-N 458.005 7.341 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1cccc(F)c1 408735576 UNFSOKDSFIKTBQ-YBFXNURJSA-N 450.897 6.002 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408797895 TUNMRKNUFJXICH-RQZCQDPDSA-N 498.322 6.035 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2Br)cc1 408797943 ULTXASSMUJYMOD-RGVLZGJSSA-N 495.804 6.844 50 40 JKGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(OC)c(Cl)cc1OC 408832777 JAMLUAUNZMWXKU-RIYZIHGNSA-N 477.742 5.230 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1OCc1ccccc1 408883704 WDVUWMXZYQCACM-HZHRSRAPSA-N 482.967 7.017 50 40 JKGB Cc1cccc(Cn2cc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)c3ccccc32)c1 408904285 HLLXISFPTOHFHO-VYYCAZPPSA-N 475.390 6.225 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c1C 408905128 UCBNDQUUPDEZFG-ROTLSHHCSA-N 489.801 5.983 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1cccc2ccccc12)c1ccc(Br)cc1 408947023 AATMIABGFALREF-YUMHPJSZSA-N 459.343 5.945 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 408982974 JGVXWIDRUJKTRZ-NHDPSOOVSA-N 495.406 7.134 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)cc1 409046462 KTXSPECJPBUABM-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 409055392 YABNBGJYXVZILY-XODNFHPESA-N 491.802 6.697 50 40 JKGB C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C)cc1 409122228 ZGHZWVAFRQYMPM-NHFJDJAPSA-N 484.021 5.001 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2)cc1C 409252422 BPJFQHOXBLJYMS-HAHDFKILSA-N 453.542 5.483 50 40 JKGB O=C(COc1c(Cl)cc(/C=N\NC(=O)c2ccccc2)cc1Cl)Nc1ccc(Cl)cc1 409254943 YNCXRMPJGWRTMU-ZRGSRPPYSA-N 476.747 5.428 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 954299 FCPGJZSWYGVPKF-LICLKQGHSA-N 457.477 5.697 50 40 JKGB N#C/C(C(=O)Nc1ccccc1)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 1790524 ZNOJHIBLRHIVFY-JSIHEXFSSA-N 459.958 5.405 50 40 JKGB CCc1c(C)sc(N2C3=CCCCC[C@H]3C(C(F)(F)F)(C(F)(F)F)C(C#N)=C2N)c1C#N 2050161 ILNKTDBASFINNG-CQSZACIVSA-N 474.474 6.190 50 40 JKGB COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1OCc1ccc(Cl)cc1 2078252 NTNIMOVFCXHNAZ-LGJNPRDNSA-N 498.029 5.780 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 2223646 MMPIWXRBTZIXLI-FQEVSTJZSA-N 473.476 5.099 50 40 JKGB CC(C)COc1ccc(C(=O)NNc2nc3sc4c(c3c(=O)n2C2CCCCC2)CCCC4)cc1 2361682 FURDQWVTOZIORH-UHFFFAOYSA-N 494.661 5.634 50 40 JKGB C[C@H](Oc1cccc2cccnc12)C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 2771695 ZPXPQIBNZPURNG-PJLCQNFYSA-N 461.525 5.005 50 40 JKGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 3142644 YYEYEQLFEIUJSY-JFLMPSFJSA-N 485.456 5.011 50 40 JKGB CCO[P@](=O)(OCCBr)C(c1ccccc1)(c1ccccc1)c1ccccc1 5328604 JRLPJYTUFMVWMF-NDEPHWFRSA-N 459.320 6.620 50 40 JKGB CCCCCCc1cc2cc(/C(C)=N/NC(=O)c3cc4ccccc4cc3O)c(=O)oc2cc1O 8398563 QRUZEKHPOACNOT-STBIYBPSSA-N 472.541 5.634 50 40 JKGB biogenic COc1cc(/C=N/NC(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 8861412 XAXHQMOZBNLXJM-DHRITJCHSA-N 468.897 5.300 50 40 JKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 10059273 FSKCKTAHPHRJOI-DVQSINOTSA-N 495.417 6.071 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OCc1ccc(C)cc1 12586191 IXUTYIQKYLBAAW-FYJGNVAPSA-N 457.486 5.345 50 40 JKGB C/C(=N\NC(=O)CSCc1ccccc1Cl)c1cccc(NC(=O)c2cccc(Cl)c2)c1 17293457 GOMXSKIFRZFBCK-LQKURTRISA-N 486.424 6.019 50 40 JKGB O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccccc1Br 20760663 RXKRFACVALFYSB-WYMPLXKRSA-N 488.725 5.354 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1cccc(Cl)c1 20760906 NQOZFULNNPIZEU-VULFUBBASA-N 487.781 5.844 50 40 JKGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2csc(N(C(C)=O)c3ccccc3)n2)c1C 21332240 OMQHNPZLOFKWJA-FYJGNVAPSA-N 462.575 5.306 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 33509937 HQIFHOAWDBBNNG-WQRHYEAKSA-N 450.897 5.878 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c1C 59201458 HKVBPFLMBIHYHH-UDWIEESQSA-N 451.353 6.735 50 40 JKGB CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 59333991 UWPYIGVSNINQBR-ACAGNQJTSA-N 488.596 5.983 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2C)cc1 59427395 HWRLISMVEAAYEC-LGJNPRDNSA-N 458.345 5.342 50 40 JKGB CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 59473040 QZHIPSQIMZVRFH-JVWAILMASA-N 451.979 5.745 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)ccc1OCc1ccccc1 59473420 BYNYXHXUKOXBPW-LQKURTRISA-N 462.615 5.665 50 40 JKGB CCCCCCCC[C@@H](O)[C@@H](/C=C/c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 98175066 GVWFYCIDXRIILO-XFWCEQSRSA-N 460.598 7.194 50 40 JKGB N#C/C(=C/Nc1ccccc1[N+](=O)[O-])c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 100474581 HAIYPNZODNBTDU-RAXLEYEMSA-N 495.314 5.564 50 40 JKGB COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(O)c(OC)c3)C3=C(O)CCCC3=N2)cc1 104104883 KVKLGQOACWFDPO-XMMPIXPASA-N 491.569 5.051 50 40 JKGB Cc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N=C2CCCC(O)=C21 104144408 UDGHUHYDZBOFEU-DEOSSOPVSA-N 478.017 6.598 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 107874977 VIQNOMOWFFNVCD-WJDWOHSUSA-N 484.314 5.696 50 40 JKGB CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OC 408540519 SUIMHLAHCXZDRK-QRQIAZFYSA-N 450.501 6.217 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)c(C)c1 408552602 RJLZWIZRQQCDDW-YBFXNURJSA-N 494.378 6.173 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)c3ccc(Cl)cc3)c2C)sc2c1CCCC2 408741855 LNFLJNUKCFKSPW-XSFVSMFZSA-N 465.018 6.929 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)NCc1ccccc1 408748108 YLCINIDQDRMPJE-NDENLUEZSA-N 481.777 5.905 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(C)cc1 408788089 IFLADLKBYFVGIK-YBFXNURJSA-N 467.352 6.435 50 40 JKGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 408801116 TXHWKQRHFFOYQO-KGENOOAVSA-N 476.960 6.262 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccccc1C#N 408808717 FIJUDSIULILLQB-JAIQZWGSSA-N 475.907 5.874 50 40 JKGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408817702 WEIXEEVCYSCGHX-QPOZXBEKSA-N 471.370 5.769 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OC(C)C 408827123 KHOJDCWJKMFNQO-KGENOOAVSA-N 476.960 6.260 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OCC 408833461 KJLFEIUCWBLILF-CJLVFECKSA-N 490.987 6.652 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OC(=O)c1ccccc1 408889600 HNNLMNITTVQSQP-SFQUDFHCSA-N 467.308 5.767 50 40 JKGB Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1 408893080 FCSRRRYWDCBYIM-XQNSMLJCSA-N 450.513 6.720 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 408955189 TWSHWAVCJJMODN-ULJHMMPZSA-N 489.550 6.305 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)cc1 408987106 AIGRLTIJFHLTJA-GXDHUFHOSA-N 462.512 5.803 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1ccccc1 409038771 BBPNUOHWGFOJEN-VCHYOVAHSA-N 459.170 7.399 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1)C(=O)NCc1ccccc1 409042258 LXQOUKNWKJEIHJ-VXLYETTFSA-N 455.316 5.935 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1OCc1ccccc1F 409065681 KGHDHSIPDYLGLT-PXLXIMEGSA-N 472.516 5.783 50 40 JKGB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccco2)nnc1-c1cccc(Cl)c1 409193571 GVGZOBUQMJCKRM-ZMOGYAJESA-N 496.936 5.035 50 40 JKGB CCOc1cc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1cccc2ccccc12 409373656 XNJGMPRQYKZHGS-VWLOTQADSA-N 455.558 5.995 50 40 JKGB N#CC1=C(N)N(c2ccc(C(F)(F)F)cc2)[C@H]2CCCCCC=C2C1(C(F)(F)F)C(F)(F)F 2192721 IIYWTPZKBXVOHR-INIZCTEOSA-N 483.378 6.589 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)cc1 2308998 ZJSPPUZHBWOBJI-CAPFRKAQSA-N 464.525 5.224 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(C(=O)O)cc1 4210246 DIBJRNKXEFNFNC-HMAPJEAMSA-N 456.498 5.217 50 40 JKGB N#CC1=C(SCc2ccc(C#N)cc2)N=C(N)[C@@H](c2nc(-c3ccccc3)cs2)C12CCCCC2 8670803 NPUKZPNLKRCUCX-DEOSSOPVSA-N 495.677 6.755 50 40 JKGB CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3cccs3)nnc2-c2ccccc2)cc1 9008357 LRSMCRFADAOYSV-UQQQWYQISA-N 477.615 5.027 50 40 JKGB O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1cccc([N+](=O)[O-])c1 9057361 WMCDMAKDRAOORS-IGCPIRJNSA-N 487.579 6.104 50 40 JKGB CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 9296305 LBRVFXLBIKIJGH-QHCPKHFHSA-N 484.358 5.996 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1)c1ccc2ccccc2c1 9374407 OVSMPRNLPXHTTM-DXJNIWACSA-N 494.982 6.616 50 40 JKGB Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)s2)cc1 9404117 GZSWNTCPWMQOJL-UYRXBGFRSA-N 493.510 6.867 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2C)c(C)c1 28216132 KDLUHCUQCXIGBT-DHRITJCHSA-N 450.564 5.003 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 28216744 WWPSOKXWMRIGEQ-FCLYZYNOSA-N 460.430 6.173 50 40 JKGB C/C(=N\NC(=O)Cc1ccc(Br)c2ccccc12)c1ccc(Br)s1 28632220 NLRSICJXRPRZQT-SRZZPIQSSA-N 466.198 5.509 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1 33741127 FORRGUFPZQNCDJ-GRSHGNNSSA-N 479.286 5.699 50 40 JKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 58871513 SMCSJSSRQVYONQ-RWPZCVJISA-N 455.385 6.634 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccccc1Cl 59255040 QJNYLMCAYMEROC-LICLKQGHSA-N 498.322 6.035 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3)c2C)cc1 59427432 XAHRHEVJOADHAI-UXHLAJHPSA-N 482.584 5.442 50 40 JKGB CC(C)(C)c1cc(C(C)(C)C)c(O[Si](C)(C)CCSC(=O)Nc2ccccc2)c(C(C)(C)C)c1 195788558 CIVZZTXJXPPJNT-UHFFFAOYSA-N 499.837 9.128 50 40 JKGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1Br 408738113 OOIASLUIQSALSW-LGJNPRDNSA-N 468.738 5.317 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccc4ccccc4c3)c2)c1 408760776 FVDWTWXLRDVVLO-HZHRSRAPSA-N 468.534 5.462 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccccc1F 408796653 YRHSHBMXSLYKNU-WOJGMQOQSA-N 485.342 6.656 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)c2ccc(Cl)cc2)c1Cl 408814049 PRSGSZGFRQTEMG-GXDHUFHOSA-N 461.732 7.224 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1cccc(F)c1 408819639 YHAHXTHJFZMPQB-YBFXNURJSA-N 450.897 5.921 50 40 JKGB O=C(N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)Nc1ccc(F)cc1 408842828 BYXYGMZXHCRDTG-YVNNLAQVSA-N 468.735 6.141 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cccn1-c1ccc(Br)cc1 408854403 FCECWALYKCYLGB-KSEXSDGBSA-N 467.150 5.076 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3F)cc2Br)cc1C 408871906 ZHOIFXZDWHHQKI-UDWIEESQSA-N 479.349 6.330 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(Br)c2)c1C 408879006 ABQLCJYNGGJGTO-CIAFOILYSA-N 479.805 6.856 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OCc2ccccc2Br)c1 408879848 HKRRVPSHZCJPTL-DEDYPNTBSA-N 477.358 5.891 50 40 JKGB CC[C@H](C)Oc1c(Br)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 408947897 DMFVJNNYGUXCGI-YLRSXTQRSA-N 496.405 5.382 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCc1ccccc1 409032944 DYHDVZGMODOWIZ-UZWMFBFFSA-N 487.559 6.253 50 40 JKGB CCOc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OCC(=O)Nc1ccccc1C 409325175 XATUWPLDVFLDKP-JJIBRWJFSA-N 462.549 6.629 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(OCC)c2)cc1OCC 409333915 KHAIEHAAIVKSRJ-YKQZZPSBSA-N 494.563 5.755 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)c2C)cc1 409392645 QYRXRLIEYQJGOX-AJBULDERSA-N 479.580 5.553 50 40 JKGB Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3c(O)ccc4ccccc34)s2)cc1 2322185 MHSIUTWMQSKEDU-WYMPLXKRSA-N 480.640 5.240 50 40 JKGB N#C/C(=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 2663737 WGNXGAMUMRPMTH-YBFXNURJSA-N 491.783 6.237 50 40 JKGB N#C/C(=C\c1ccccc1OC(F)F)S(=O)(=O)c1cc(Br)ccc1Br 3321154 ZNTZIESZQZRIKH-KPKJPENVSA-N 493.123 5.151 50 40 JKGB CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)cc1 8590264 GPHHHPCQSXBUGS-XDJHFCHBSA-N 464.550 6.032 50 40 JKGB C=CCc1ccccc1OCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 8860827 FGEGOZMUBQOKOB-HAVVHWLPSA-N 472.972 6.380 50 40 JKGB CCOC(=O)[C@@H]1CC/C(=N\NC(=O)CSc2cc(C)c(Br)cc2C)C(CC)=C1C 12311826 MXPUOQOVFHBHAO-BXBKDCBCSA-N 481.456 5.330 50 40 JKGB CCOc1ccc(OCc2ccc(C(=O)NN=C(Cc3ccccc3)Cc3ccccc3)cc2)cc1 12622554 AASZAQOKXSQDRN-UHFFFAOYSA-N 478.592 6.236 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(O)cc1 16449903 LEZDEAVAZZZTEI-GZTJUZNOSA-N 483.749 5.933 50 40 JKGB COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 16917393 BLXWZAUACGWXPQ-RVDMUPIBSA-N 463.902 5.333 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 20197822 ZUDWDTKBEPFRDQ-CCVNUDIWSA-N 491.802 6.779 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1)Nc1ccccc1 28214749 BRJKXLXNETWMNC-NDZAJKAJSA-N 495.604 5.760 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CCSc3ccc(Cl)cc3)cc2)cc1 28214883 SBJQUMYAVYSUHL-JVWAILMASA-N 482.005 5.298 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 33643875 ZQTKOCKFUMNTCT-BOPFTXTBSA-N 496.350 5.565 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCc1cccc(C(F)(F)F)c1 33644840 XZANVTTZUFMOSI-NDENLUEZSA-N 490.481 6.873 50 40 JKGB N#CC(=C\c1ccc(SCc2ccc(Cl)cc2)o1)/C(O)=N/c1nc2ccccc2s1 41120766 SOHLNCXIVWSUGN-RVDMUPIBSA-N 451.960 7.030 50 40 JKGB CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)cc1 59104725 QWZYWJYDBIBAEU-BWAHOGKJSA-N 479.628 5.688 50 40 JKGB Cc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2c(C)cccc2C)NC2=C1C(=O)CCC2 85846269 DLYQGEVJQHIUTQ-XMMPIXPASA-N 457.599 5.413 50 40 JKGB Cc1ccc([P+](Cc2c(C)c(C)c(C)c(C)c2C)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 95676996 SJNSBYSUNXBQBD-UHFFFAOYSA-N 465.641 7.648 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)c1 108263494 MTCNJICEVYPIGJ-STBIYBPSSA-N 470.525 5.209 50 40 JKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 137154220 HPNUDIGWYDTKFW-XDHOZWIPSA-N 467.352 6.435 50 40 JKGB N#C/C(=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)c1nc2ccc(F)cc2[nH]1 408570446 VFSHBOIIVAIFGL-WJDWOHSUSA-N 453.452 5.499 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408582173 MHYFWKFVDHFLMH-CIAFOILYSA-N 463.917 6.089 50 40 JKGB Cc1c(Cl)cccc1N1C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O 408652131 OLXZASFKSKBIGS-KXBFYZLASA-N 468.764 5.078 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3ccccc3Cl)cc2-c2ccc(-c3ccccc3)cc2)c1 408725932 QWWZKSGICSUJOX-UZWMFBFFSA-N 490.994 6.932 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C)cc3)c(Br)c2)c1 408743511 ASLFFANKVFAAKV-BKUYFWCQSA-N 491.385 6.281 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 408813011 DCYRULPVWQYQBR-WOJGMQOQSA-N 471.771 7.080 50 40 JKGB O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccccc1 408813687 DNGSOPKFFNGUMG-ZMOGYAJESA-N 488.179 5.555 50 40 JKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)c1 408813922 FWSQBGKJCSYIAI-BKUYFWCQSA-N 454.599 6.069 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 408816415 RUNZAYCIZVVBAX-CJLVFECKSA-N 452.941 6.926 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1C 408839673 VHKPXDGEYPJIQS-MZJWZYIUSA-N 476.989 6.288 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cc(C)cc(C)c3)c(OC)c2)cc1 408880511 ICFJLKDIOYGSNT-LPYMAVHISA-N 490.987 6.489 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OC(=O)c1cccc2ccccc12 408897703 ZKZMYGXIUBDIJK-RCCKNPSSSA-N 496.950 6.657 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccccc2F)c1)C(=O)Nc1ccc(Br)cc1 408936477 KCZGLXXZMYTLAO-PDGQHHTCSA-N 451.295 5.713 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 408953253 PJWMEIIOWIRKNY-IMRQLAEWSA-N 494.598 6.590 50 40 JKGB Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2cccc(C)c2)c1 408996527 IOJIJMXPTIFMIT-ZCTHSVRISA-N 491.547 5.539 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccccc3)o2)c(C)c1 409001430 IIIRGUVJQNSKHV-WJDWOHSUSA-N 453.361 6.356 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1 409267626 VGJOUIOLZJKHRV-WQRHYEAKSA-N 480.351 5.865 50 40 JKGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1OC 409312233 DYRRLLDQHJOPFL-PPDIBHTLSA-N 493.774 6.007 50 40 JKGB CCOc1ccc([C@H]2C(C#N)=C(SCc3ccccc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409322264 LLXZFRSZFWKNBW-VQTJNVASSA-N 491.396 5.063 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)ccc1OCc1ccc(Cl)cc1 409361231 BFHDLVJOQSUTSC-QRQIAZFYSA-N 450.966 5.573 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)c1nc2ccccc2[nH]1 409373197 FTRDGQHUQQQLGK-GZTJUZNOSA-N 464.750 6.622 50 40 JKGB Cc1ccc(COc2ccc(/C=C(/C#N)c3ccc(I)cc3)cc2)cc1 409374158 XZPDORNYAKCZOB-STZFKDTASA-N 451.307 6.243 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc(C(C)C)c(OC)cc2C)c(C#N)c1C 1525692416 OSABMJRNJPOFMW-NVMNQCDNSA-N 450.560 5.264 50 40 JKGB O=C(CBr)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 1703587 ASQQHTXKJASBFK-UHFFFAOYSA-N 463.973 7.093 50 40 JKGB COc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1nc(-c2cc3ccccc3oc2=O)cs1 8399945 ATZNCEYXTOKXCR-MKMNVTDBSA-N 455.322 6.296 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)Nc1cccc(Br)c1 8780967 WWCIOWHHEYKBDK-UNOMPAQXSA-N 477.314 5.272 50 40 JKGB CC(=C/c1ccccc1)/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl 9271934 IIFQQIBJLOVQSA-GBWXPPLLSA-N 475.017 6.036 50 40 JKGB Cc1cc(/C=C(\C#N)c2nc3c(s2)C[C@@H](C)CC3)c(C)n1-c1ccc(Br)cc1 12524757 COOYYYZPIPYIJJ-QCUKBLKESA-N 452.421 6.502 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)OC)ccc1OCc1ccc(C)cc1 12585820 AJLARMMTOLJELC-PXLXIMEGSA-N 470.525 5.305 50 40 JKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)cc1[N+](=O)[O-] 16732663 JQQACOYTGOBOEI-XMHGGMMESA-N 476.496 5.407 50 40 JKGB N#CC1=C(N)N2C(=O)/C(=C/c3ccccc3)S[C@H]2C(c2nc3ccccc3[nH]2)=C1c1ccccc1 16958213 VIXWRDZIFIRLCK-UWTASOAKSA-N 473.561 5.124 50 40 JKGB Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)CSCc2ccccc2)c1C 20243613 SIYMUPUODDXVGT-LGJNPRDNSA-N 484.463 5.857 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 20764693 MFOFFJWIJHIWEW-MZJWZYIUSA-N 473.356 5.744 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(-c2ccccc2)cc1 33370664 BZSROWJUGAHMRX-MTDXEUNCSA-N 452.514 5.362 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccccc1 33609600 WOYHDUYNTIRAEZ-UNOMPAQXSA-N 463.331 5.582 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccccc1F 33770550 GEKXKENORUESFB-YVLHZVERSA-N 453.267 6.140 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)c1ccc(C(=O)O)cc1 35242697 FAQSRTRKMWPAMA-GRSHGNNSSA-N 452.279 5.930 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(F)c1 59117518 JHGCLLFNDZTZOJ-VCHYOVAHSA-N 485.342 6.656 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1Cl)c1ccccc1 59224651 ZUEGEYXNURXESC-OJSPLJLUSA-N 495.804 6.466 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(Br)cc1 59334631 ZUGWCHVNNOSAFM-SXGWCWSVSA-N 463.759 5.075 50 40 JKGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 59336209 DDWASGYIBQMAEP-LCYFTJDESA-N 499.135 5.708 50 40 JKGB O=C(N/N=C\c1c[nH]c2ccc(Br)cc12)c1cc2cc(Br)ccc2o1 83252632 BDPMCKZDBRNUGR-AFPJDJCSSA-N 461.113 5.203 50 40 JKGB COc1cc([C@H]2C(C#N)=C(SCc3ccccc3)N=C3CC(C)(C)CC(O)=C32)cc(OC)c1OC 102512390 CZIOVWZQUALWJO-DEOSSOPVSA-N 490.625 6.551 50 40 JKGB CCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103528055 NBGPKUJGJLFFFP-QMMMGPOBSA-N 458.146 6.619 50 40 JKGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccccc1I 108209388 KXUVSDFMTYTCFM-KAMYIIQDSA-N 474.685 5.750 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1OCc1ccc(Cl)c(Cl)c1 207162493 OEYJRJFYKJSYBG-GZTJUZNOSA-N 498.322 6.035 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(Br)c3)[nH]c2cc1C 408543780 QGAXIRBOUNXZKS-UDWIEESQSA-N 458.359 6.585 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(OCC(C)C)cc2)c(C(=O)OCC)c1C 408546313 GISUPPCXZVWXLY-UNOMPAQXSA-N 483.586 5.164 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OC 408759851 MVSMHYMARUZNEX-QPEQYQDCSA-N 480.156 5.165 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1 408764354 MKDDGTXCDVZPMT-PXLXIMEGSA-N 484.533 5.162 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1ccc(C)cc1 408798689 WODWQJWXOPMZON-OEAKJJBVSA-N 474.988 6.734 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C)c(C)c2)c(C)c1 408806520 FBUPCSFDWWXLFI-YDZHTSKRSA-N 489.413 6.807 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Br)c1 408813671 YIBHWSPFXKBTBN-WOJGMQOQSA-N 497.776 6.236 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1 408857203 NQRPZGLSSBQEEO-GZTJUZNOSA-N 496.292 5.621 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 408875167 DNUFXYZRQQGQNO-QFMPWRQOSA-N 468.645 5.482 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc2ccccc12 408880322 HHPFZAQASMHXCP-KGENOOAVSA-N 473.359 7.271 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1ccc(Cl)cc1 408884127 WAZGAPMHZNKOEX-XDHOZWIPSA-N 467.352 6.435 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1Br 408884373 WWCOZIPDHGGCCY-FYJGNVAPSA-N 491.385 6.199 50 40 JKGB Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc3ccccc3c2)cc1 408895991 OTDQPQRQOOJYGM-LQKURTRISA-N 487.353 5.894 50 40 JKGB CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)Nc4cccc(C)c4)o3)sc2c1 408993328 VOQLHWXMXBBQDZ-FOWTUZBSSA-N 461.568 6.293 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1ccc(Cl)cc1Cl 409005499 DTVUUCLAHCJDRZ-BHGWPJFGSA-N 465.178 5.927 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1 409057070 OSIZOWQVEGQBJI-LDADJPATSA-N 480.351 5.865 50 40 JKGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 409140323 RHXXWZSSMPIGNX-MJDKSPQASA-N 470.436 5.796 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(I)cc3)o2)cc1Cl 409181739 FOCAULFMOGUIOU-BHGWPJFGSA-N 493.732 5.075 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)c(C)c1 409265000 NDXWPMFOWGDELO-FYJGNVAPSA-N 473.960 5.828 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409267275 UIXGNBGKNCZCHH-RGVLZGJSSA-N 491.931 5.955 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 409353214 IEGJQLCICFWLSN-JLPGSUDCSA-N 464.481 6.642 50 40 JKGB COc1ccc(/C=N/NC(=O)[C@@H]2CC2(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1OC 2202812 HHYARNURSUTYDJ-MMOHFDRGSA-N 469.368 5.467 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1Cl 3024381 JKCYEZLBDGGLHJ-RPPGKUMJSA-N 476.747 5.315 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1ccccc1Cl 3085433 NNZXTRASORSRGT-RWPZCVJISA-N 480.948 5.104 50 40 JKGB Cc1ccc2c(c1)[C@@H]1C(=S)SS[C@H]1C(C)(C)N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 3170455 UBFRPHDXYJIIDV-DLBZAZTESA-N 465.021 6.170 50 40 JKGB CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2c3ccccc3c(Cl)c3ccccc23)c1 3200600 GSSWKSDIYLZJQY-OGLMXYFKSA-N 494.016 5.441 50 40 JKGB O=[N+]([O-])c1ccc([C@H](Br)[C@H](Br)c2cccc3ccccc23)c([N+](=O)[O-])c1 4265716 DLTPISAPTRFIEL-MSOLQXFVSA-N 480.112 6.228 50 40 JKGB biogenic CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCc2ccccc2)N1 6015269 VKXZETAATUGOLY-RUZDIDTESA-N 472.013 6.608 50 40 JKGB O=C(O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccccc1F)N2 6445629 OCDBIIVGALZXKN-HQFBCKHPSA-N 498.963 6.471 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1)c1nc2ccccc2s1 8816207 YIXNWGAZOSAVQL-SSZFMOIBSA-N 490.591 5.878 50 40 JKGB N#C/C(=C\Nc1cccc2ccccc12)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 9327490 XRRMKXYJPMJZGB-GHRIWEEISA-N 466.478 5.954 50 40 JKGB COc1ccc2cc(/C=N/NC(=O)CSCc3c(Cl)cccc3Cl)c(Cl)nc2c1 9891954 YGHCBNUMODHUSQ-PGGKNCGUSA-N 468.793 5.587 50 40 JKGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)C3=C(CCCC3=O)N2)cc1 13174424 PVAARHIVDKUIMM-VWLOTQADSA-N 473.598 5.195 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 13388029 QVQPABMGTLBQQU-SFQUDFHCSA-N 492.285 5.122 50 40 JKGB Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 15277305 SVBZAKGCOCNOSW-VCHYOVAHSA-N 451.309 6.067 50 40 JKGB CC(C)(C)c1ccc(Oc2ccc(/C=C(\C#N)C(=O)NCc3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1 15979727 ABYCQIMZVNDYJG-XSFVSMFZSA-N 489.959 6.561 50 40 JKGB CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 17306474 KZEDHIQZKPYEMU-XDJHFCHBSA-N 493.544 6.223 50 40 JKGB Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)COc3ccccc3C)c2C)c1 20243718 SWVLQCRMSYKKCB-LGJNPRDNSA-N 468.395 5.311 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)ccc1OCc1ccccc1Cl 59447369 XMYTUZONKIDGNR-BRJLIKDPSA-N 489.753 5.160 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(OCc2ccc(Br)cc2)cc1 59499234 YKFAZFINUHMHPQ-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB FC(F)(F)CC(F)(F)C(F)(F)CC(CCBr)(C(F)(F)F)C(F)(F)F 100501382 HUYVQMVKEVZCLS-UHFFFAOYSA-N 455.052 6.496 50 40 JKGB O=C(OC(=O)C12C[C@H]3CC(C[C@@H](C3)C1)C2(Cl)Cl)C12C[C@H]3CC(C[C@@H](C3)C1)C2(Cl)Cl 100744157 DEZAZONUZUZECG-KHJLJQALSA-N 480.259 6.057 50 40 JKGB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1cc(Cl)c(SC#N)cc1Cl 101149037 FXWMGEYEXWLZNJ-MDWZMJQESA-N 482.190 6.048 50 40 JKGB COc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN(CCCl)[C@H](C)CCl 104077153 GAQMKIYAUCXBBR-OAHLLOKOSA-N 452.813 6.309 50 40 JKGB O=C(N/N=C\c1ccc(N(CCCl)CCCl)cc1)c1ccccc1Nc1ccc(Cl)cc1 104115360 TWZRFDYTIKLXOA-QRQIAZFYSA-N 489.834 6.132 50 40 JKGB O=C(N/N=C/[C@H]1C[C@@H]2C[C@@H]1[C@H]1[C@@H]3C[C@@H]([C@H]21)[C@@]1(F)C(F)(F)C(F)(F)[C@]31F)c1ccc(Cl)cc1 104495879 MQLAXXGENLFXSE-OCCUAVGISA-N 476.848 5.295 50 40 JKGB CCn1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21 107579303 MDVNIOMRWJMGMT-LQNQUEJISA-N 480.568 6.005 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)c1ccccc1F 108087824 KNMILDZOFMJFTG-WJDWOHSUSA-N 469.285 5.809 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@@H]1[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]12 170621503 UYDDPTCNFUMGFE-JVVMDBNWSA-N 485.562 6.572 50 40 JKGB CC(C)=C(/C=C/O[C@H](C)c1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195752862 DULZICHRUDRDGE-DOASYWNOSA-N 470.729 7.191 50 40 JKGB CCCCCCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1 408539832 ZHVPMPBPKFVUMO-CYVLTUHYSA-N 489.841 7.387 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)cc1 408762114 NBDOVGYXVGEPGO-UYRXBGFRSA-N 464.363 5.801 50 40 JKGB CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 408771421 HZLLTDJXVWIOPC-CHHVJCJISA-N 468.178 5.766 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408790074 NCRLOXGAZXZDJE-WSDLNYQXSA-N 483.911 6.526 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1C#N 408795612 MGUGFAJIOYQWEV-SSDVNMTOSA-N 471.944 5.962 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1cccc2ccccc12 408799807 LKLRTBKGVXYXCE-IWDXIYBYSA-N 454.570 6.029 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N\NC(=O)Cc2ccccc2)c1Cl 408813229 OVCPOGGUQNLEEV-MXAYSNPKSA-N 460.317 5.200 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 408887003 KWAORHVTZKXUFD-NTUHNPAUSA-N 492.713 5.130 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccccc2Br)cc1 408888331 ZFRMJIXEMWBVEK-KGENOOAVSA-N 491.385 6.145 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(Cl)c1OC 408891167 MMFGHCWQNZIKJZ-NYYWCZLTSA-N 470.696 5.508 50 40 JKGB CCOc1ccc(/C=C(/C#N)c2cccc(Br)c2)cc1I 408904415 JCRPJIFEVXBTDJ-ZSOIEALJSA-N 454.105 5.517 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 408926267 WQEZYRIAHATDFX-LICLKQGHSA-N 450.882 5.210 50 40 JKGB Cc1cc(N2CCCCC2)ccc1/C=N\NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 408956163 YYZZSYASUGYJGH-JDCMOKTRSA-N 476.624 6.515 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1Cl 408983407 LZKXHVMFRZIHDZ-MFOYZWKCSA-N 458.776 6.908 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1cccc2ccccc12 409053086 XCDTWLIQXWKQDM-OCSSWDANSA-N 472.972 6.543 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc(OCC)c1OCc1ccccc1 409187673 SZDCXNVEDFYWKP-DXJNIWACSA-N 498.579 6.302 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409224713 MAQMNTLVHOTFIW-CPNJWEJPSA-N 475.932 5.220 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409231034 HVIYQFQAHGNZER-SLCIXIPPSA-N 490.943 5.410 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 409239877 RHSYLHYWJAQWIC-NVNXTCNLSA-N 496.869 5.245 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 409256308 NMLAOMUQQFATOC-MUFRIFMGSA-N 463.364 6.418 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409261069 AUZVDWQTIMIGBQ-NDENLUEZSA-N 489.959 5.529 50 40 JKGB Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Cl)c1 409265111 NSMNEUUMOKFOAI-VCHYOVAHSA-N 482.323 6.292 50 40 JKGB COc1cccc(COc2ccccc2/C=N/NC(=O)[C@H](C)Oc2cccc3ccccc23)c1 3166991 BQGXUPWUQFIYAI-MJDZGMBVSA-N 454.526 5.345 50 40 JKGB COc1ccc(CN(CC[C@@H](c2ccccc2)c2ccc(OC(C)C)cc2)C(=O)CCl)cc1OC 8691739 PVPILTHRWJFZAS-SANMLTNESA-N 496.047 6.281 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 12600448 AYZIJYRQRBPIRS-QGOAFFKASA-N 478.302 5.482 50 40 JKGB CC(C)CC(CC(C)C)=NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 12614040 WLURQVNFIYBYSM-UHFFFAOYSA-N 450.004 5.319 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)Nc1ccc(F)cc1 16525783 VKXNEZRYEUUNFB-HKWRFOASSA-N 456.904 6.757 50 40 JKGB N#C/C(=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 20533896 RWRLQWCYJJSMOU-UDWIEESQSA-N 469.928 5.295 50 40 JKGB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 33794033 LJWZRRBSHVRAMN-SFQUDFHCSA-N 496.350 5.565 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 33957613 XGIFDAHAPLNBGE-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 59306265 PYEUZHFSWCMSIK-JAIQZWGSSA-N 450.897 5.290 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(=O)c1ccccc1 59500514 LBZJWYIMMMVRLP-MIXAMLLLSA-N 487.556 5.053 50 40 JKGB COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)cc1 96487956 KHXVTHHISSYDFV-AQTBWJFISA-N 450.336 5.411 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)c1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1 101462339 FJDCRIGHSPPIKK-UHFFFAOYSA-N 496.550 6.846 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c1 207156059 PJSPDLMCQADQSM-JVMBGAFUSA-N 475.386 6.121 50 40 JKGB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](Br)CC[C@]4(C)[C@@H]3CC[C@]12C 257348489 GCLRJMLUSNRQMO-BTOKQOHLSA-N 451.577 8.871 50 40 JKGB Cc1cc2nc(/C(C#N)=C\c3cn(Cc4ccc5ccccc5c4)c4ccccc34)[nH]c2cc1C 408542964 LXKOZNGKRUOZDI-XYGWBWBKSA-N 452.561 7.400 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)Sc1nc2ccccc2[nH]1 408598466 AZMVJIFUTAZJGZ-LDADJPATSA-N 475.404 7.529 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N2C(=N1)SC(C#N)=C2N 408608289 VSPWQQZUAQADRQ-QFIPXVFZSA-N 487.972 5.624 50 40 JKGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OC(C)C)c3)c2C)c1 408781459 ANBFWRXXIAAPGT-XKZIYDEJSA-N 457.530 5.214 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1 408788962 GTAVDTNAMRBJDE-BUVRLJJBSA-N 497.392 7.035 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1cccc(Cl)c1 408807861 IBZAZKROTKWKKG-KEBDBYFISA-N 481.379 6.744 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccccc1Cl 408882173 QFMZRIMYUXZWMF-OKCVXOCRSA-N 493.390 6.888 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1Br 408888524 WPYMAKFRIHUHTA-DEDYPNTBSA-N 477.358 5.891 50 40 JKGB Cc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 408889887 KNLFXKWDWVZJFH-WOJGMQOQSA-N 451.309 6.067 50 40 JKGB Cc1ccccc1COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1 408900637 XDHZYGOXOSDYGW-DEDYPNTBSA-N 494.332 5.724 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)cc1 409040548 GQVAHGSGSNERAL-WOJGMQOQSA-N 485.342 6.656 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1 409048830 UGANZYUNMCVWOT-CXUHLZMHSA-N 486.286 6.165 50 40 JKGB Cc1[nH]nc2c1[C@H](c1ccc(OCc3ccc4ccccc4c3)c(Br)c1)C(C#N)=C(N)O2 409124940 CKLBEKNZXUBYNZ-HSZRJFAPSA-N 487.357 5.431 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 409212526 QNWFMFLRMKDHDF-NUGSKGIGSA-N 484.748 6.057 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409249462 IPFTUEPYXGYYEU-XDHOZWIPSA-N 475.932 5.220 50 40 JKGB Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1C 409258234 XDRLQVDGXLCBRA-XSFVSMFZSA-N 459.933 5.520 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2CC)cc1 1762583 DBXCBLKIFLBKOS-MTDXEUNCSA-N 492.693 5.351 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccccc3)c2Cl)sc2c1CCCC2 1825635 UWFCEOZUKLGICP-DTQAZKPQSA-N 495.004 5.497 50 40 JKGB CCCCCc1ccc(-c2ccc([C@@H](Cl)[C@H](Cl)C3CCC(CCCCC)CC3)cc2)cc1 8383587 GXPDMEOIZKZMPY-UFFGBGPXSA-N 473.572 10.360 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccncc1 8816802 UEZPAKUYGBXMGN-DICXZTSXSA-N 497.411 5.269 50 40 JKGB Cc1ccc2[nH]c(/C(C#N)=C/c3cc(Cl)ccc3OCc3c(F)cccc3Cl)nc2c1 8854649 NMKMUYNSVABGRG-MHWRWJLKSA-N 452.316 6.960 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)ccc1OCc1ccc(C(=O)O)cc1 9263115 ZMLYQUFSBYFPQY-LPYMAVHISA-N 456.498 5.135 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc(Cl)cc1Cl 12467663 FFBUCZJGOPMZPQ-YDZHTSKRSA-N 497.498 6.078 50 40 JKGB C[C@@H]1CCc2c(sc3nc(/C(C#N)=C/c4ccc(OCc5ccccc5)cc4)[nH]c(=O)c23)C1 12659618 QKIMKIKPQQVEQP-HDAKKWKLSA-N 453.567 5.753 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1ccccc1O 13899561 DEWKKPIYLQFFBI-WGOQTCKBSA-N 484.025 5.442 50 40 JKGB COc1ccc(/C(C)=N\NC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)cc1OC 13923924 RWLIXZBDESPQFI-COEJQBHMSA-N 468.557 5.165 50 40 JKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc1 15911599 WXVJTJXMLQGCRL-HMMYKYKNSA-N 450.498 5.102 50 40 JKGB Oc1ccccc1/C=N\c1ccc(SSc2ccc(/N=C\c3ccccc3O)cc2)cc1 17148919 WORJHOARZNZREI-HJTNQMAYSA-N 456.592 7.398 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc(OCc2ccc(F)cc2)c1 32520690 WXMFXSBUBRMTRZ-DHRITJCHSA-N 451.548 5.257 50 40 JKGB COc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)ccc1OCc1c(Cl)cccc1Cl 32703908 ACYYGSZXVJQCJL-QDTIIGTASA-N 487.383 5.727 50 40 JKGB CCOc1cc(/C=N\NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 33921987 QVNJRUHQCIVISJ-QLJAWRCISA-N 470.613 6.216 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 34910577 BRDDSEACGGCBIG-LQKURTRISA-N 489.369 5.954 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@@H]1[C@H]2c3ccccc3C=CN2[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 36092601 UYDDPTCNFUMGFE-MBEDZMRZSA-N 485.562 6.572 50 40 JKGB COc1cc(/C=N\NC(=O)CCn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)ccc1O 36624813 LGKRJMLZHPDOCO-QXPFVDMISA-N 489.575 6.230 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccccc1F 59255653 RJQPNCZIBKFPNY-VCHYOVAHSA-N 455.316 6.566 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Br 59432773 YSLJJZKRHGTKEO-NTEUORMPSA-N 462.141 5.322 50 40 JKGB O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc(Oc5ccc(Cl)cc5Cl)cc4)[C@@H]13)[C@H]2Br 102655068 PNNNISKKHJTMNW-VTAJJLHNSA-N 497.172 5.295 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)c1nc2ccc(F)cc2[nH]1 408567406 MTUZMRCIGDPHRX-PXNMLYILSA-N 466.285 6.247 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccc(Cl)cc1 408567720 GEYPCABKFCGTTJ-PXNMLYILSA-N 468.315 6.661 50 40 JKGB Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c1C 408612616 WEEMRLRHOJIFAU-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c1C 408768616 YYSBCRZNQGPBGP-ULJHMMPZSA-N 454.574 5.093 50 40 JKGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C 408783616 NSTVPWZLOGEMAU-OPEKNORGSA-N 484.785 5.230 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1I 408787946 HTENWAIRQUCVNB-OQLLNIDSSA-N 478.717 5.364 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Br 408794088 HLKIDXWKITVKTG-OVCLIPMQSA-N 478.184 5.773 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OCc1ccccc1F 408814108 RMXYRXPFOXQDGG-STZFKDTASA-N 460.480 5.827 50 40 JKGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OC 408828673 LTGFRDJHIVMIDW-HYARGMPZSA-N 490.987 6.571 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1 408850559 BYQXDJWGADIKNL-MHWRWJLKSA-N 475.734 6.911 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 408894332 HOBDKUOVUJRWTA-DEDYPNTBSA-N 491.931 6.080 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1Cl 408898475 LRHDCPJSSJFSFX-OKCVXOCRSA-N 493.390 6.888 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1cccc(F)c1 408952609 OLXIJFOMNQSAKA-UCQKPKSFSA-N 483.543 5.551 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1ccccc1Cl 408966084 JUHUKHCAWZUMIZ-CCVNUDIWSA-N 451.885 5.092 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)c2C)c(C)c1 409019097 YHOMCUPSYARYJQ-WKIKZPBSSA-N 463.921 5.353 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)NC1CCCC1 409196286 YLZMRUKEJXNCSF-CHHVJCJISA-N 484.210 6.845 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 409209291 FHCOWZNKGWSZKU-WKULSOCRSA-N 495.431 6.968 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)c1ccc([N+](=O)[O-])cc1 409216449 LGAOYBIOUBMMNI-WQRHYEAKSA-N 453.267 6.140 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccc2ccccc2c1 409221908 VTPNVJHRHXJGAS-CEUNXORHSA-N 490.603 6.473 50 40 JKGB Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 409226070 SQGBRYAAGKPTSU-CPNJWEJPSA-N 479.458 5.577 50 40 JKGB COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OCc1ccccc1Cl 409392316 OWVSSIPPYTZNFK-OKCVXOCRSA-N 473.960 5.643 50 40 JKGB Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(-c4ccccc4Cl)o3)s2)cc1Cl 1454155 UESBTTDUGPFQEW-SFQUDFHCSA-N 494.403 7.155 50 40 JKGB CCN(CCSCCCl)Cc1ccc(-c2c3ccccc3cc3c2ccc2ccccc23)cc1 1705580 LUDIZWFAJBAEPX-UHFFFAOYSA-N 484.108 8.607 50 40 JKGB Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3C)NC3=C2C(=O)CCC3)cc1 2325311 KKJGUTJTMHLACA-XMMPIXPASA-N 478.017 5.758 50 40 JKGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)Nc1ccc(Cl)cc1Cl 2630101 YURXCHDZCGECAM-LDADJPATSA-N 499.357 7.138 50 40 JKGB Cc1cc(SCC(=O)NN=C2c3ccccc3-c3ccccc32)c(C)cc1Br 3235823 YCCVZNAHXJAGHZ-UHFFFAOYSA-N 451.389 5.707 50 40 JKGB COc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Br)c1OCCOc1ccc(C)cc1 4207635 NPWXTXYIPYTVNT-WGOQTCKBSA-N 498.377 5.380 50 40 JKGB CC1(C)CC[C@@]2(C(=O)NN)CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)[C@@H](O)C[C@]43C)[C@@H]2C1 8740014 APYOKISKLZLBOK-NJGWBGMVSA-N 486.741 5.110 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(Br)ccc1OCc1ccccc1F)OCO3 9296366 HGLYLTLWXKBKNI-QHCPKHFHSA-N 495.304 5.114 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 12465262 GEVYKQHGNSBCCS-UUYOSTAYSA-N 483.471 5.770 50 40 JKGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccc(Cl)cc2)c1 12590111 LWVMNBFLLRZVCX-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc([C@H](C)CC)cc1 13940807 NGICOQBISPYQOT-OHQZHEALSA-N 488.584 5.873 50 40 JKGB Cc1ccccc1-c1nnc(SCC(=O)N(/N=C/c2ccccc2)c2cccc(C(F)(F)F)c2)o1 14642900 HJVNJSQHQHCVPQ-WKULSOCRSA-N 496.514 6.223 50 40 JKGB COc1ccc(NS(=O)(=O)c2ccc(N/C=C(\C#N)c3nc4cc(Cl)ccc4o3)cc2)cc1 16217159 XFXVXSUGAUOSEB-CCEZHUSRSA-N 480.933 5.267 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 33385388 RMQQEGNWKAOQHI-YVNNLAQVSA-N 470.850 5.395 50 40 JKGB COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1Cl 38700610 JOERJZMMXFUHBN-OAQYLSRUSA-N 485.298 5.578 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc(F)c1 59116941 FBIZWZGMKUHETB-UNOMPAQXSA-N 450.897 6.002 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1cccc2ccccc12 59281485 ZUXWRXDYNSSFGV-LYBHJNIJSA-N 468.512 6.758 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)c1 108262331 ZQFPTLOJKZOMBQ-UVHMKAGCSA-N 489.355 5.362 50 40 JKGB O=C(OCCCCCl)[C@@H]1CC[C@@H]2[C@@H](C1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 221836625 QNGXUOGPVMCDDM-CJHLSNKHSA-N 489.481 6.427 50 40 JKGB CC(C)N1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2[C@@H](C)CC1(C)C 223556943 CDPBYXUITIGWJH-PMFHANACSA-N 456.417 7.040 50 40 JKGB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H](C5(CBr)OCCO5)[C@@]4(C)CC[C@H]32)C1 245239854 MSDUUFXAHQPGOH-OOJBBXMBSA-N 481.471 5.635 50 40 JKGB Cc1cc(C)c([C@@H]2[C@@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)c(C)c1CCl 254484523 DRMNCDXWRFSVIO-UNRZKBSHSA-N 492.022 6.761 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 408538372 LTFMVESAFUXWFP-QNGOZBTKSA-N 499.007 6.420 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)c1ccc2ccccc2c1 408550747 JNTUZHWDDCOAKR-OYKKKHCWSA-N 484.349 6.944 50 40 JKGB O=C(COc1cccc(/C=N\NC(=O)c2cccc3ccccc23)c1)Nc1ccc(Cl)c(Cl)c1 408552105 OGLZQDMSJFWZSB-FDVSRXAVSA-N 492.362 5.928 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1ccc(Cl)cc1Cl 408581871 ZNMUEPKTJNQJPA-GIDUJCDVSA-N 467.154 8.082 50 40 JKGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1 408759121 YBBYHGBIEVHQEB-KQWNVCNZSA-N 496.544 5.356 50 40 JKGB Cc1cc(-n2c(C)cc(/C=C(/C#N)c3ccc(F)cc3)c2C)ccc1I 408791236 VECZOLORHMWNSZ-UNOMPAQXSA-N 456.302 6.210 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 408792241 AAFQHNLDTDYOOH-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Br 408793615 FQLZHBHAIKQSNT-CXUHLZMHSA-N 488.179 5.386 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)c(OC)c1 408865239 BZCSVZMDGUTTOF-AFUMVMLFSA-N 465.553 5.488 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c(OC)c1 408867215 JLYBJODUSOJKIH-FYJGNVAPSA-N 485.971 5.584 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1Cc1ccccc1Br 408868204 ODISMEMPYDPSOW-LICLKQGHSA-N 499.767 6.387 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1OCc1ccc(C)c(C)c1 408869811 UGJFZQVMLYYUNQ-PCLIKHOPSA-N 454.570 6.389 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OCc1c(Cl)cccc1Cl 408883163 TXNHRVCHPJMMEL-GZTJUZNOSA-N 497.334 5.825 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Br)cc1Cl 408890429 SYIMQBAPROCPSO-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Br)cc1 408891506 RPEMYDJKGNTJCD-RCCKNPSSSA-N 461.359 6.136 50 40 JKGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br 408904518 KUAGQBSGJQEOSM-YVNNLAQVSA-N 478.686 5.086 50 40 JKGB CSc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1 408969423 NJBOWQCEUHBKPN-FBIIEDLBSA-N 496.460 5.164 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1 408983575 MKVFMIOWECHFEJ-GRSHGNNSSA-N 467.352 6.435 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1OCc1ccccc1 409068592 BDHFSFDFTPZMKF-HZHRSRAPSA-N 472.972 6.592 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 409123763 IOFQZRHEEHUPRD-OAQYLSRUSA-N 473.743 6.150 50 40 JKGB CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccccc3Cl)c(Cl)c2)C2=C1CCCC2=O 409127407 COMDPDFXNDWMQR-JOCHJYFZSA-N 454.357 5.302 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409264983 NDCOKIHOPHJBRN-PXLXIMEGSA-N 469.541 5.265 50 40 JKGB CCCOc1ccc(-c2nc(-c3ccc(N(C)C(=O)C(Cl)Cl)cc3)cs2)cc1OC 1567674 PMSPIAKMVBLEHY-UHFFFAOYSA-N 465.402 6.041 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 2773801 DPNKJKPFOBYXKR-XYOKQWHBSA-N 458.257 5.716 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OC(=O)c1ccc(C)cc1 3260806 KCJHOFOKVZKTEU-RCCKNPSSSA-N 456.498 5.167 50 40 JKGB CCCCSc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1 8846174 HNOYDZQYBARWAK-MHZLTWQESA-N 493.636 6.232 50 40 JKGB CC(C)CN1CCCc2cc(/C=C(\C#N)c3nc(CCN4C(=O)c5ccccc5C4=O)cs3)ccc21 8857319 MWDMHTFDCHQUCO-PXLXIMEGSA-N 496.636 5.455 50 40 JKGB COC(=O)c1ccc(/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 12139997 PKWJHFQJIYDYDD-LZYBPNLTSA-N 493.338 5.530 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1 13124232 LIHMZRUCRNJIPH-WOJGMQOQSA-N 460.331 5.977 50 40 JKGB aggregator Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 33594411 WLVRSHOPPDIVAH-IWIPYMOSSA-N 483.955 7.299 50 40 JKGB N#C/C(C(=O)Nc1ccccc1Cl)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 33918698 OSTOWPRTILEEHY-AEPTXUNZSA-N 494.403 6.058 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4cccc([N+](=O)[O-])c4)c(Cl)c3)[nH]c2c1 35352132 MZOJSWOQAHGJIL-IUXPMGMMSA-N 479.323 6.730 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 59433657 XCQWYUWNOGVWAL-RVDMUPIBSA-N 466.291 5.725 50 40 JKGB O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1cc2ccccc2o1 59680097 CDXPYMCCVFTXGZ-STKMKYKTSA-N 481.555 7.321 50 40 JKGB N#C/C(=C\c1ccccc1-n1cncn1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 96134120 MEEOBSSTPRZDRO-FRKPEAEDSA-N 481.368 5.167 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)N=C2CCCC(O)=C2[C@H]1c1ccc(Cl)cc1 102595354 YRSMDLJSQRJJTP-QFIPXVFZSA-N 484.408 6.635 50 40 JKGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N=C2CCCC(O)=C21 102864289 ZTJUWSUDFXLYLV-XMMPIXPASA-N 494.016 6.380 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2F)c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2s1 107619299 AIXIZWNEWDDMMW-UVHMKAGCSA-N 472.501 5.716 50 40 JKGB O=C(Cl)/C=C/c1cc(Cl)c(OCc2ccccc2Br)c(Br)c1 226341351 LVERYABQDAFHGR-AATRIKPKSA-N 464.968 6.223 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Br)cc1 408567316 LLTFXCZGAKILSA-QFEZKATASA-N 498.333 5.099 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(F)cc1 408793773 GEWZAOYBCIUJPY-RGVLZGJSSA-N 464.924 6.229 50 40 JKGB Cc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)c2)cc1 408887062 NPNMQHNGXLXRCJ-CPNJWEJPSA-N 461.315 5.522 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCc1cccc2ccccc12 408899127 ZHHUTGPLDRSZIQ-PXLXIMEGSA-N 468.940 6.626 50 40 JKGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cccc3ccccc23)c(Br)c1 408901041 ZLALYQPCDBVANX-LFIBNONCSA-N 470.164 6.219 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc2ccccc2c1)C(O)(c1ccccc1)c1ccccc1 408908385 CBNMHTWCHBQMMF-STKMKYKTSA-N 486.571 5.805 50 40 JKGB O=C(O)c1cccc(COc2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2)c1 408940009 JBTJMKYAYBINRK-ZMFRSBBQSA-N 493.313 5.236 50 40 JKGB CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br 408946683 AVEMFFMXEFBIEC-JJBLJPBOSA-N 466.379 5.374 50 40 JKGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1I 408985910 YSIZVNIEMIJBDU-ZSOIEALJSA-N 466.706 5.197 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 409146575 UAHRQNWBNFHEJY-NRFANRHFSA-N 457.288 5.635 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 409189831 JAHYACDBEKCWIF-OKCVXOCRSA-N 492.406 6.744 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)C(=O)Nc1ccccc1Cl 409266246 PLCKHDLYWHRATM-GHRIWEEISA-N 466.324 5.557 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1OC 409331557 DQPOBKPWRNKJKN-VYYCAZPPSA-N 456.901 5.229 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(OCC)c1OCc1ccc(Br)cc1 409371218 HBCJNBBGPYMVJO-PXLXIMEGSA-N 495.417 5.685 50 40 JKGB N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1ccc(F)cc1F 606422231 CBDMYMMMXYQMPW-VWLOTQADSA-N 454.432 5.555 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 867450 YEGBQQPHSJAYRA-LICLKQGHSA-N 496.292 5.621 50 40 JKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc3ccc(OC)cc3s2)cc1OC 1775903 PAMZOOWRYVKYKP-QGOAFFKASA-N 465.575 5.818 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)sc(C)c1C 1901309 MSZMHDSWEXFPRR-GDNBJRDFSA-N 454.533 5.550 50 40 JKGB COc1cc(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(OC)cc1Cl 2287175 NYXABUQRTDDMAV-LUAWRHEFSA-N 466.777 6.764 50 40 JKGB COc1cc(-c2cc(C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)c3ccccc3n2)cc(OC)c1OC 3244327 BACIQUYFYPYXDH-FDAWAROLSA-N 497.595 5.989 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(Cl)cc1Cl 4106857 DKZFZCBRLJDGSJ-OPEKNORGSA-N 471.300 5.819 50 40 JKGB COc1ccc(/N=N/C(=N/NC(=O)c2ccccc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 5580235 YCACDEIXRLGQNS-HHTJONBPSA-N 493.571 5.513 50 40 JKGB CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)Cc3cccc4ccccc34)ccc21 6135656 NWAWLDMEZGLBOO-UZWMFBFFSA-N 476.580 6.031 50 40 JKGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccccc2OCc2ccccc2)cc(C(C)(C)C)c1O 8860741 MUMYQVVGJGUMLY-UZWMFBFFSA-N 486.656 6.649 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc(Cl)ccc2OC)cc(Br)c1OC(C)C 9262742 XPSDAQYGZGZSRX-FOKLQQMPSA-N 469.763 5.061 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc(C(C)(C)C)cc1 13899473 IDCJRKFDQBZGDQ-OQKWZONESA-N 488.584 5.657 50 40 JKGB N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@@H]1c1ccc(OCc2ccccc2)cc1 20238381 IYBYJXBDXSIDEZ-RUZDIDTESA-N 467.594 5.481 50 40 JKGB COc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)c(OC)c1 33773621 ZMZSJEUCWAUBSL-RWPZCVJISA-N 461.949 5.433 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 33777984 ZVMXGEOUSUPALL-LQKURTRISA-N 481.533 6.306 50 40 JKGB COC(=O)c1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(C(=O)OC)c1 44835398 ZJWPBRCLQUXDOR-FRKPEAEDSA-N 473.337 5.754 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1 59255579 UMUKZNAEWZXPDK-DEDYPNTBSA-N 495.804 6.790 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccccc1F 59335704 DNCIVCRPGINSEW-HAHDFKILSA-N 456.517 5.996 50 40 JKGB O=C(c1ccc(-c2ccccc2)cc1)[C@@H](Br)[C@H](Br)c1ccc([N+](=O)[O-])cc1 98042966 MBTSUOGHHPLZHK-UXHICEINSA-N 489.163 6.344 50 40 JKGB CCCCCCCCCCCCCCCCCC(=O)N/N=C/C(=C\c1ccccc1)CCCCCC 104166606 CGSZWHVBQYSBQA-ZTFHHVKLSA-N 496.824 10.404 50 40 JKGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4cc3OC)c2C)c1C 108894633 ORUZDXLHFXGLIR-MUFRIFMGSA-N 469.541 5.115 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Br)cc1 408533462 SHRHVBXVUNNOHW-KVSWJAHQSA-N 493.327 5.438 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1ccc(N2CCCC2)cc1 408676587 KVWXNLJPJRWUSI-WKULSOCRSA-N 486.374 6.076 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)ccc1OCc1ccccc1Cl 408726328 RYLIOWBHJZESSE-JVWAILMASA-N 452.938 5.019 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1ccc(O)cc1 408793768 GLAUCEJSMXLJQF-GZTJUZNOSA-N 462.336 6.248 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1F 408796570 YOARXUPAMXQXNB-VCHYOVAHSA-N 485.342 6.656 50 40 JKGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 408828802 OAWZKKYMYGWULO-LTGZKZEYSA-N 468.940 6.626 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OC 408879585 FJEJJVHRCMOREW-IZZDOVSWSA-N 456.123 5.319 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1Cc1cccc(F)c1 408883712 VPFBTWNVXKWURG-RGVLZGJSSA-N 493.376 6.432 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Br)c(Cl)c1 408898804 XRHJTEICXYZSJZ-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccccc1Cl 408964002 FCQLNFSXLOULLY-MZJWZYIUSA-N 493.903 5.736 50 40 JKGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC 408981698 CNTUZTARLIIQKB-SXGWCWSVSA-N 475.770 5.920 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)s1 409022758 RVTCXTWSTNFILX-YUMHPJSZSA-N 479.026 6.749 50 40 JKGB CC(C)Oc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 409047923 NQXBMTLESMDTDZ-WKULSOCRSA-N 478.379 6.760 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2F)cc1 409049574 WRRKVCYVXJIKLF-LICLKQGHSA-N 471.315 6.266 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1OCCC 409065353 KVNJNFZOMDNRAN-CPNJWEJPSA-N 458.480 6.167 50 40 JKGB COCCN1C(N)=C(C#N)[C@@H](c2ccccc2OCc2ccccc2Cl)C2=C1CC(C)(C)CC2=O 409124649 LEXBJSWZHQSJEG-RUZDIDTESA-N 492.019 5.302 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2Cl)cc1OCC 409311407 GHDKCUWHSSYKGF-MBTHVWNTSA-N 487.383 6.134 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(Br)c2)ccc1OC 409330418 AIQGTJGHRKKIOK-YSMPRRRNSA-N 483.362 5.199 50 40 JKGB Cc1cc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)n(-c2ccccc2)n1 1453306 IWTWFNQGYLIAAK-FOWTUZBSSA-N 463.324 6.293 50 40 JKGB CSc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1 1813603 ZRKUYGIWOCRYDZ-UFFVCSGVSA-N 481.093 5.448 50 40 JKGB CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 1905923 WWVDVVXKOQIHJM-XMHGGMMESA-N 451.979 6.112 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccco1 2201328 LBWCAADLMJDIJR-QHCPKHFHSA-N 485.565 5.048 50 40 JKGB N#CC1=C(N)Oc2cc(O)c(/C=N/c3cc(C(F)(F)F)ccc3Cl)cc2[C@@H]1c1ccccc1 2317009 DTBHDYBALATJCO-FKOPVHROSA-N 469.850 6.033 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2c(O)ccc3ccccc23)nnc1-c1ccc(C(C)(C)C)cc1 2338442 QZVWYPTXADVVEH-LQKURTRISA-N 487.629 5.364 50 40 JKGB CC[C@H](c1ccc(OC(=O)NCCCl)cc1)[C@H](CC)c1ccc(OC(=O)NCCCl)cc1 5103546 XAKNMEXJDPUAGG-FGZHOGPDSA-N 481.420 6.028 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 9076291 UCJSQLXOICPSGB-SHMWJOFESA-N 467.594 5.677 50 40 JKGB O=C(CSc1nncn1-c1ccccc1)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 9959835 RFTINDDVLPXMAG-WKULSOCRSA-N 481.503 5.446 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)sc(C)c1C 13514251 CJHQRKMPNKUXNN-ZROIWOOFSA-N 478.426 6.949 50 40 JKGB C/C(=N\NC(=O)c1sc2cccc(Cl)c2c1Cl)c1cccc(NC(=O)C(F)(F)F)c1 20158489 PXQXIVYABIEAFW-JQAMDZJQSA-N 474.291 5.863 50 40 JKGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 20158528 YQYKTHNYQKBIAK-CHQVQAOYSA-N 495.988 5.314 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1nc2ccccc2[nH]1 33729961 MDOILWFBAITMPD-STZFKDTASA-N 480.365 7.122 50 40 JKGB BrP(NC1CCCCCC1)(c1ccccc1)(c1ccccc1)c1ccccc1 73369622 PMTRLHZAJQQSTL-UHFFFAOYSA-N 454.392 6.054 50 40 JKGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 108157739 FYKDEEUNORDMPP-ZRGSRPPYSA-N 476.291 5.313 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)c1ccc(Br)cc1 408529368 JHQHXYWXKDTPJY-UYRXBGFRSA-N 469.176 6.855 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 408530365 LODSGKGRLXMIBO-NSKAYECMSA-N 466.803 5.089 50 40 JKGB Cc1c(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c2ccccc2n1Cc1ccccc1Cl 408598628 GLNOZXBPFISECM-XMHGGMMESA-N 454.986 7.185 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C4CCCCC4)cc3)c2C)cc1Cl 408733826 AOFWYJGUBYHWKB-PCLIKHOPSA-N 472.032 7.649 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 408744748 HBTITEUCHWMWHG-WQRHYEAKSA-N 466.896 5.621 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(OCc2ccc(Br)cc2)c1 408809914 SSDRLOMPYFAKMH-WOJGMQOQSA-N 497.776 6.236 50 40 JKGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1Br 408880008 GNIJKNWNGHUXGH-WUXMJOGZSA-N 484.575 5.728 50 40 JKGB CC[C@H](C)Oc1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1Br 408905347 XQCOSHJWYACFNH-BTXKWLAHSA-N 483.204 5.853 50 40 JKGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cccn2-c2cccc(Br)c2)c1 409008936 ALTVESSCVFGJHO-WGOQTCKBSA-N 461.363 5.411 50 40 JKGB C#CCOc1cccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c1 409034983 OULRITFCDAIMPB-OGLMXYFKSA-N 466.566 5.638 50 40 JKGB CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 409040418 UFSCAUPYAYKRRC-JFLMPSFJSA-N 488.341 5.354 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2Cl)cc1 409268482 UILDSYSSPYLMQW-ATVHPVEESA-N 496.350 5.565 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409360113 KZGZKRKJTMEJCJ-QDTIIGTASA-N 491.802 6.236 50 40 JKGB O=C(N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 2165677 XQFQFDSFKOJEKZ-JFLMPSFJSA-N 473.872 5.385 50 40 JKGB N#C/C(C(=O)N1CCCCC1)=C1/S[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1c1ccccc1 2331196 UIZJAQUIKXFPMS-RMQQKZCOSA-N 486.424 5.432 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)cc1 2410608 ULBPKOGYTPCGAL-BMRADRMJSA-N 486.915 5.085 50 40 JKGB Cc1ccc(N/C(SCc2ccccc2Cl)=C(\C#N)c2nc3ccccc3s2)cc1C 2639028 LJDFSOJBGDATMZ-GFMRDNFCSA-N 462.043 7.804 50 40 JKGB CCC/C(=N\NC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)c1ccc(Cl)s1 8454679 ZXYNGKHPLUAIBO-QUPMIFSKSA-N 462.018 7.168 50 40 JKGB Cn1c(-c2ccccc2)c(C(=O)CSC2=C(C#N)C(C)(C)[C@H](C#N)C(O)=N2)c2ccccc21 8725843 GJSNYPQNFUSNAM-GOSISDBHSA-N 454.555 5.632 50 40 JKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)C1CCN(Cc2ccc(Cl)cc2)CC1 8780692 XJDAIYUPOUNIID-UXHLAJHPSA-N 455.989 6.009 50 40 JKGB CCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1 9223196 MPEMADMVOAHQHK-SILNSSARSA-N 496.617 6.007 50 40 JKGB Cc1ccccc1C[C@H](C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 16157919 PYYRACMBLZPVJL-VKMIRQPFSA-N 487.397 6.494 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc(Cl)c3)n2-c2ccccc2)cc1 31879750 INMOFDJZCVOWAJ-YSMPRRRNSA-N 461.978 5.139 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1ccc(C)cc1 33398001 LMYTXECYLHJTCB-YSMPRRRNSA-N 498.420 7.953 50 40 JKGB CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1OCC 33632341 MDQIMGPCZNZORZ-MYYYXRDXSA-N 481.818 6.224 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccc(Cl)cc1Cl 33663144 JKVVFDKYGAWBAN-JAIQZWGSSA-N 468.336 6.733 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 58913176 PXMUDYFHXJLYPZ-KBKYJPHKSA-N 477.779 5.452 50 40 JKGB Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=O)/C(C#N)=C\c3ccccc3)c2)cc1Cl 98053836 MEMOXJLHELSZAT-BOPFTXTBSA-N 486.380 5.648 50 40 JKGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)C2=C(O)CCCC2=N1 103886496 LXOUVHSMUBGLPA-QHCPKHFHSA-N 463.990 6.290 50 40 JKGB CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccccc2)cc1OCC 408540028 LZPZVRCGZKDXLZ-ITYLOYPMSA-N 475.427 6.351 50 40 JKGB CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC 408540162 NXPXBSMTUXBFBQ-IWIPYMOSSA-N 492.370 5.479 50 40 JKGB N#C/C(=C\c1c(OS(=O)(=O)c2ccccc2)ccc2ccccc12)c1ccc(Br)cc1 408580789 RRSWBFRVJORAEX-CAPFRKAQSA-N 490.378 6.434 50 40 JKGB O=C(N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)C(=O)Nc1cccc(Cl)c1 408607890 FLQVCUJMBDDIFP-LUOAPIJWSA-N 494.737 5.454 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1 408740943 FJWKBDYZUSKUKF-JCMHNJIXSA-N 458.945 6.202 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1 408742799 CBHSCEGXUFOCMZ-GRSHGNNSSA-N 491.341 5.611 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(I)cc3)cc2)c1 408745619 UIVVFZSXRGXHRN-ZHZULCJRSA-N 494.332 5.724 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)c1 408747034 YDPLVGSJBQOWLW-STZFKDTASA-N 457.530 5.134 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408787792 GJDAMABQWPZARK-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2F)cc1 408790780 YOIRUNOBHQVTSG-CPNJWEJPSA-N 495.348 6.112 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1Cl 408792388 AYZMGOMYIXLFKG-VCHYOVAHSA-N 482.323 6.335 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccccc1 408805417 AWDIKBOFTOCVNE-RSZPVBOMSA-N 479.349 5.952 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1 408814314 ZBACMTXFFBPFBZ-PXLXIMEGSA-N 452.941 6.926 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)c(Br)c2)cc1 408873597 STCSYVYWSHCPBK-OEAKJJBVSA-N 489.413 6.601 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c1OCc1ccc(Cl)c(Cl)c1 408887251 NFAYKZAXJSVKMF-LUOAPIJWSA-N 498.193 6.652 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cc(C)cc(C)c2)cc1 408892301 YMHBSADSUUQJPL-OEAKJJBVSA-N 488.971 6.258 50 40 JKGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2OC)c1 408985049 LASFSYIQPNBETP-LDADJPATSA-N 478.932 5.490 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccco1)c1ccc(Cl)cc1 408995196 ASYNGIOWCOIJMM-LQKURTRISA-N 487.899 5.168 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1OCc1ccc(Cl)cc1Cl 409064804 GLDTXPOGEMZUHN-UDWIEESQSA-N 490.390 7.250 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(O[C@@H](C)CC)c(Br)c3)cc2c1 409187720 UEJOLQMTNPPCLH-ARCFYCQJSA-N 459.340 5.535 50 40 JKGB O=C(O)c1ccc(COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(Cl)cc2)cc1 409190845 WTVUPOZNQBZCHM-BRJLIKDPSA-N 487.737 5.144 50 40 JKGB CC[C@@H](C)Oc1c(Br)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC 409208938 DLEHBYSHGWQAGO-HJQVIKLGSA-N 485.831 5.531 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 409231026 AXHFHNCROASXNS-DICXZTSXSA-N 485.353 5.259 50 40 JKGB N#C/C(=C/c1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 409236384 FQMVQAAERIVVKX-PDGQHHTCSA-N 463.434 6.393 50 40 JKGB CC1(CC(=O)N/N=C/c2cccc(OCc3ccc(Br)cc3)c2)SCCS1 409366590 WSWRTKPEHUZMAR-LPYMAVHISA-N 465.438 5.065 50 40 JKGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 409382707 NXXATSJIWHJACJ-JCMHNJIXSA-N 455.945 6.168 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1cccc2ccccc12 409390234 DRHCPMAPCDFPQX-UUYOSTAYSA-N 488.356 7.393 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)ccc1OCc1ccccc1 954329 QLEKJAXDKZSTAJ-LPYMAVHISA-N 499.567 6.006 50 40 JKGB N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 1454097 CIDFJOUDZGNIGO-LFIBNONCSA-N 480.376 6.846 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 1767388 HERDIOJKPPPIKD-SFQUDFHCSA-N 490.928 6.101 50 40 JKGB CC(C)(C)[C@@H]1CCc2c(sc3nc(NNC(=O)c4ccccc4)n(-c4ccccc4)c(=O)c23)C1 2183466 KRXQDXAEVLYQSK-GOSISDBHSA-N 472.614 5.355 50 40 JKGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC3CCCCC3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2399664 XPLNEZIPOUXUNQ-LVZFUZTISA-N 484.600 5.449 50 40 JKGB CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OCCC)c(OCC)c2)C(C#N)=C(N)O3)cc1 9438814 JBRIREUCLVJXBO-QHCPKHFHSA-N 474.561 5.271 50 40 JKGB Cc1ccccc1C[C@H]1S/C(=C(/C#N)C(=O)c2c[nH]c3ccccc23)N(c2ccccc2)C1=O 10435206 UTYXTEIWCRQRMZ-KVILUOORSA-N 463.562 5.786 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2C)cc1 12273804 GVCLQOFOPVPMIB-OGCOBRASSA-N 488.012 6.022 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1 23217609 ISVGAMYBXBJDMB-LTGZKZEYSA-N 485.540 5.047 50 40 JKGB CCSC1=C(C#N)[C@H](c2ccccc2Cl)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 33927753 HFKBYHDNFZKCMU-BXWFABGCSA-N 472.941 5.327 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1ccccc1Cl 34703590 OUCXWQXLMLDJGS-YVLHZVERSA-N 472.741 6.893 50 40 JKGB CCCCCCCCCCCCCCCCCC(=O)N/N=C\c1c(O)ccc2ccccc12 104166640 CNMJNXJQAALXNM-KRUMMXJUSA-N 452.683 8.257 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 108091929 BLFQQECWMAVFGO-BRJLIKDPSA-N 455.967 5.150 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)Sc1nc2ccccc2[nH]1 408599548 WEVIZTUHYHEAGE-WQRHYEAKSA-N 452.366 7.105 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)N1CCC(C)CC1 408602185 AYKJQEOIKHNGRM-HYARGMPZSA-N 472.589 5.280 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(Br)cc1 408743624 HHRWGFPBFWOLIJ-AQTBWJFISA-N 478.302 5.482 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(I)cc2)o1)C(=O)Nc1ccc(Cl)cc1 408745128 JWTJHBQOOAFLSS-KAMYIIQDSA-N 474.685 5.750 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)ccc1OCc1ccc(F)cc1 408774537 WFQIBLZVABFROU-QJOMJCCJSA-N 487.575 6.195 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(Cl)c2)c(C)c1 408793795 GODZHBIRTJISHV-AFUMVMLFSA-N 466.968 7.235 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1 408796792 PHPDYGKARNTGHR-LPYMAVHISA-N 487.386 7.580 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1cccc2ccccc12 408801646 VCNIZIREIZZMFY-LRMMQSMJSA-N 468.597 6.419 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)c1C 408815253 PTYIXEFISKPJAL-YBFXNURJSA-N 485.798 7.388 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1cc2cc(Br)ccc2o1 408817161 KUDWVRLTUJYCNS-ZMFRSBBQSA-N 483.749 6.192 50 40 JKGB CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Cl 408847305 SYNAVQFZQSFNNI-LQNQUEJISA-N 492.406 6.922 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1cccc(C)c1 408849563 XHXNBSQEBVYUFW-VYYCAZPPSA-N 493.357 5.855 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2F)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408869858 SBTOCECRHKWABI-RQZCQDPDSA-N 459.735 6.922 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2F)c1 408873467 UKSWKDBLGAVYAV-FYJGNVAPSA-N 463.350 6.342 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1cccc(F)c1 408888872 CCZRAZQORBIHAX-GZTJUZNOSA-N 450.853 5.253 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccccc1C 408925297 QXOFUCZTVSIWQN-RGVLZGJSSA-N 476.916 5.480 50 40 JKGB Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2ccccc2)c1 409002203 MIIIRPXIEQTLNL-NDZAJKAJSA-N 477.520 5.230 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 409066410 APGZOBVUCRUQQY-XMHGGMMESA-N 466.946 5.270 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 409075778 UCMOSNXLOFZJHB-MHWRWJLKSA-N 464.757 6.479 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 409078267 BJHFYJLCIHLUID-CCVNUDIWSA-N 468.340 5.607 50 40 JKGB N#C/C(=C\c1cc(Br)c(Sc2ncccn2)o1)C(=O)Nc1ccc(Cl)cc1 409107295 RRVBBIZGBDRTKK-DHZHZOJOSA-N 461.728 5.182 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCc1ccc(Cl)c(Cl)c1 409145779 QYBOXSATGJHSKB-OAQYLSRUSA-N 471.344 5.221 50 40 JKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 409165296 WAMCFQFXJJCHMG-HUZSXYRPSA-N 486.369 5.259 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cn(Cc4ccc(Cl)cc4)c4ccccc34)cc2c1 409187387 PTVVBPBBZPGHMT-FDVSRXAVSA-N 471.944 6.252 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)c(Br)c1O 409234325 VNZVVBSTBDZQRS-ZENNRRHLSA-N 494.183 5.100 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCCC)c(OCC)c2)cc1OC 409317882 WKYVQBHYXAKZOE-MYYYXRDXSA-N 493.398 5.198 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)cc2)cc1OC 409324702 UPKIEJUDTNHKLI-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c1C 409390531 DXODKIXBRNNBSQ-RDRPBHBLSA-N 466.541 5.593 50 40 JKGB CCOc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)c(-c3ccccc3)c2c1 409397084 FZTOGIWIPWRXIO-UHFFFAOYSA-N 493.519 5.810 50 40 JKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 1906190 LXVWSGSOQDSZBA-LDADJPATSA-N 486.424 6.765 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2)cc1 2232863 YJFXUTFKXBNLCY-ABPPERTMSA-N 488.012 5.967 50 40 JKGB Cc1cc(OCc2ccc(C(=O)N/N=C(/c3ccccc3)c3ccccn3)cc2)ccc1Cl 3222648 UELYTWZMVRQBKZ-BXVZCJGGSA-N 455.945 5.805 50 40 JKGB CC(C)c1ccc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc1 8457111 JQDPBGBVNTUWHD-CUDGALFRSA-N 489.019 5.451 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 8812577 NYZTUIDTNSMMNS-DHRITJCHSA-N 473.754 5.454 50 40 JKGB O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1ccc2ccccc2c1 8860874 MUVIACDXXFLGDB-RWPZCVJISA-N 463.320 6.130 50 40 JKGB COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1 9045958 MXSOKYSPFHBNCZ-PKAZHMFMSA-N 498.052 5.745 50 40 JKGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1c[nH]c2ccccc12 12465774 XSJCHGFEHYYESD-RMORIDSASA-N 474.036 5.208 50 40 JKGB O=C(Cc1ccc(Br)c2ccccc12)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 13895457 PCGREACDNWZGGR-URGPHPNLSA-N 498.380 5.212 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Br)c1OC 14152252 DMWUSXJIFYOMQB-RIYZIHGNSA-N 486.391 5.214 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)OC(C)C)cc3)c2C)cc1 20197768 XOVUIBPLPVILKC-OGLMXYFKSA-N 461.562 5.212 50 40 JKGB N#CC1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc2[nH]ccc2c1 31820207 XNVJFSOEXWHLKS-QFIPXVFZSA-N 459.347 5.235 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 33530613 SQUMSXWOKPICNB-YBEGLDIGSA-N 454.860 5.708 50 40 JKGB Cc1cccc(OCCOc2ccc(/C=C(C#N)/C(O)=N/c3nc4ccccc4s3)cc2)c1 41108880 AZPMWLRNNOUQCE-CAPFRKAQSA-N 455.539 6.258 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)NCCc1c[nH]c2ccccc12 59104743 ONZOTNYDGLNJEC-PKAZHMFMSA-N 471.560 6.166 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1cccc(Cl)c1 59117384 KIFFFIOXPAIQFP-RQZCQDPDSA-N 487.770 6.780 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 59536569 DCORMXFZGAHTBF-UVHMKAGCSA-N 477.775 6.388 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@@H](c3ccc(F)cc3)Nc3c(F)cccc3[C@@H]2[C@@H]1Cl 102713078 VMVWNRGZUWPWQV-HWLDZIHSSA-N 472.944 6.912 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 109024301 XZMPLAKMRMLASY-WQRHYEAKSA-N 452.869 6.429 50 40 JKGB CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@H](SC#N)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 118932545 OZCSWRIJMBFXQD-YVOWCIQISA-N 485.778 8.152 50 40 JKGB CCCCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1 408538401 MHDMEQIHXLSXIO-XDJHFCHBSA-N 471.395 6.353 50 40 JKGB Cc1c(Cl)cccc1N1C[C@@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O 408652130 OLXZASFKSKBIGS-HNAYVOBHSA-N 468.764 5.078 50 40 JKGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 408719804 LYQOGQQXZMTFLM-LGJNPRDNSA-N 459.398 5.956 50 40 JKGB COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3C)n2)c1 408724020 CLIVKCQDULMLRK-ZCTHSVRISA-N 490.563 5.782 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3cccc4ccccc34)cc2-c2cccc3ccccc23)cc1 408727886 YPWMVARCNATVGB-QNKGDIEWSA-N 480.571 6.918 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 408787624 CUNNSEQNEHUJET-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc(F)cc1 408789027 HIBISZQIEYWDIS-LICLKQGHSA-N 497.320 5.427 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408789296 IOTILCXAHNIELY-LICLKQGHSA-N 478.848 5.281 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1F 408791033 SNSRXZUZNKVQOE-CIAFOILYSA-N 478.951 6.619 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)c1ccccc1 408798459 FJGDBYOKAAWZRG-XNQWGTPPSA-N 486.369 5.684 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)cc(Cl)c1OCc1ccc(Cl)cc1 408811272 ASHRSAQXAKLAFV-WOJGMQOQSA-N 463.361 5.031 50 40 JKGB COc1ccc2cc(/C=N/NC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c(Cl)nc2c1 408837698 LKBDUSVDGRDJOC-CCVNUDIWSA-N 496.419 6.606 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1Cc1cc(C)cc(C)c1 408872866 KJBYNXJPZAPLPE-ZMOGYAJESA-N 473.016 7.109 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccc(C)cc1 408894687 KMLBWIPMXGXWGI-JFLMPSFJSA-N 475.570 5.356 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1c(Cl)cccc1Cl 408896310 XQVAJDFLLHXRGY-UVHMKAGCSA-N 477.775 6.388 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(Br)c(Sc2ccc(C)cc2)o1 408912947 IRYJOSKFVDIVKZ-IUXPMGMMSA-N 489.398 6.510 50 40 JKGB CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1C 408960482 MCMSUNHAWLMVCX-NDENLUEZSA-N 452.385 6.817 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cccc(F)c1 408961410 CAFZKYUWIOAMIG-VVEOGCPPSA-N 494.872 6.240 50 40 JKGB COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(SC#N)c1O 409046133 IUGZANFLSBLKAU-UHFFFAOYSA-N 453.560 5.374 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)c1OCc1ccc(C(=O)O)cc1 409188487 ZSYGTXDFPUAFGP-OCSSWDANSA-N 497.551 5.144 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1OC 409317251 TTXWZCMACBOXDP-YUMHPJSZSA-N 497.389 5.589 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1cccc(F)c1 409394273 XZNRMHVTYTUNSR-QNGOZBTKSA-N 458.330 7.385 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCc1ccc(Cl)cc1 1439451 XBIPMWLYWQMXCQ-DEDYPNTBSA-N 475.932 5.432 50 40 JKGB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1 1815738 QCPDBFRSMNCJMB-WOJGMQOQSA-N 461.499 5.354 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccc(Cl)c(Cl)c1 2248270 JFOPMAPYKGUZQZ-CIAFOILYSA-N 460.364 7.100 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1Cl)c1ccccc1Br 3080330 VXYZFNNNBDWJOF-ZMOGYAJESA-N 456.727 5.119 50 40 JKGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 3087133 WFUDDADWSCHLLK-LGJNPRDNSA-N 491.426 5.287 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c1 9907426 BCPMOZQIKUVIIM-MOSHPQCFSA-N 473.485 5.127 50 40 JKGB CCC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccccc2C(=O)O)c(C(C)(C)CC)c1 12564208 LLTJHFGBYLAMLR-VUTHCHCSSA-N 466.622 6.069 50 40 JKGB COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)c1ccccc1Br)oc1ccccc12 12629128 SJBJWZFXECSZLC-MZJWZYIUSA-N 494.345 5.492 50 40 JKGB Cc1ccc(/C=C/C(=O)OCC(=O)N(/N=C/c2ccccc2)c2cccc(C(F)(F)F)c2)o1 13075785 SENCMEAUNKIOLQ-IQJOPSMISA-N 456.420 5.231 50 40 JKGB CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O 16741532 HBYRAEQWFFESCQ-IWIPYMOSSA-N 482.559 5.769 50 40 JKGB Cc1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccccc2)cc1Cl 19952000 LJJBPJKWBWLMGI-OGLMXYFKSA-N 492.000 5.147 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccccc2Br)c2ccccc2n1Cc1ccccc1Cl 20760371 YNWFGLQJTRHZRF-MZJWZYIUSA-N 480.793 6.178 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 34828869 UQZXKGLHAVOIGQ-PXNMLYILSA-N 462.735 7.438 50 40 JKGB CCOc1ccc(N2Cc3ccc(C(=O)N/N=C/c4c5ccccc5cc5ccccc45)cc3C2)cc1 58872015 QSLLAYNQRBFREP-HNSNBQBZSA-N 485.587 6.676 50 40 JKGB O=C(N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)C(=O)Nc1cccc(Cl)c1 59101525 PZPUQVODEGJRME-RPPGKUMJSA-N 476.747 5.315 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 59484053 ZQFKFGPOLBRKCU-BKUYFWCQSA-N 491.385 6.281 50 40 JKGB S=C(SSC(=S)[C@@H]1CCC/C1=N/C1CCCCC1)[C@H]1CCC/C1=N/C1CCCCC1 104198390 HMXOLEOABAQJDG-IABYJCAFSA-N 480.834 8.170 50 40 JKGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2[C@@H](C)CC1(C)C 223581253 HHQXLQGWIZOFOX-BEWREHSGSA-N 466.423 6.415 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1Cl 408592519 YWXVBLMXGVXRPS-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1c(C)n(Cc2ccc(Br)cc2)c2ccccc12 408743038 DERQODDUNHOBNN-QNGOZBTKSA-N 484.397 6.615 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1ccccc1 408792449 BHBUIWCJUYIDBV-LDADJPATSA-N 467.750 6.227 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1cccc([N+](=O)[O-])c1 408793269 DRLCPJCJWRNOGS-CIAFOILYSA-N 457.486 5.345 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCC(C)C)cc2)cc1 408843395 FEQZIMFVRIOPLS-FSGOGVSDSA-N 451.570 6.251 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2OCc2ccc3ccccc3c2)c(OC)c1 408874181 ZFGRDBPIVSJJSJ-WGOQTCKBSA-N 478.548 5.659 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OC(=O)c1cccc2ccccc12 408884971 ZLMLKMWWHCWPRE-AJBULDERSA-N 489.531 5.622 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OCc2cccc(F)c2)c1 408894684 KKTILALEWHTQJC-LICLKQGHSA-N 471.315 6.266 50 40 JKGB CCCCOc1c(Br)cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OCC 408970619 JIZRQLFTERWOBT-AFUMVMLFSA-N 489.366 5.545 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1)c1cc2cc(Cl)ccc2o1 409022977 AJAYIRMKFIIDCX-VROXFSQNSA-N 478.129 6.526 50 40 JKGB O=C(/C=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Cl)cc1 409041764 JOVHBRWCOUOSNX-KPKJPENVSA-N 489.742 5.340 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 409044338 CAFKUWNXVZOABJ-VCHYOVAHSA-N 455.316 6.566 50 40 JKGB Cc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)NCc3ccccc3)N(c3ccc(Cl)cc3)C2=O)c1 1790429 LAKLKASKMCQIAK-NLTRVXJZSA-N 488.012 5.391 50 40 JKGB Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2-c2ccccc2)cc1 3669212 BISUYLXGGDNUPF-QNKGDIEWSA-N 490.006 7.537 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2cc(Cl)ccc2Cl)ccc1OC(=O)c1cccs1 8448766 DZGYAIBOVOMBDS-BRJLIKDPSA-N 493.368 5.202 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Br)c2)o1)C(=O)NCCc1c[nH]c2ccccc12 8861776 AWDDWEOSGNESNX-QGOAFFKASA-N 460.331 5.456 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc(Cl)cc1 8919486 KEMMZVASCRZEPL-MFKUBSTISA-N 499.086 6.270 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@@H]1[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 8954662 SHGQHJXEYIXIDA-QBCKSJLUSA-N 467.572 6.307 50 40 JKGB COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccccc4O)cc3[C@@H]3C=CC[C@H]32)cc1 9010263 IKEZOTBPZRETAX-BKWFSMGCSA-N 481.552 5.159 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(OCc4cccc5ccccc45)cc3)[nH]n2)cc1 9375165 RUHFDSOCBFXDOZ-UXHLAJHPSA-N 476.536 5.581 50 40 JKGB Cc1ccc(N2CSC3=C(C#N)[C@@H](c4c(Cl)cccc4Cl)CC(=O)N3C2)cc1Cl 12251064 XTUGZEBCIMTDDH-AWEZNQCLSA-N 464.805 6.175 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 12273772 UCJSQLXOICPSGB-ODOJCJTKSA-N 467.594 5.677 50 40 JKGB Cc1nc(C)c(C(=O)OCC(=O)N(/N=C/c2ccccc2)c2cccc(C(F)(F)F)c2)s1 18358088 QNJYHHBLCUYVDO-RPPGKUMJSA-N 461.465 5.003 50 40 JKGB Cc1ccc(Cn2c(SCC(=O)N/N=C\c3cc([N+](=O)[O-])ccc3Cl)nc3ccccc32)cc1 32576922 KKANPWJDSYZHEG-ZMFRSBBQSA-N 493.976 5.197 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccccc1 34735932 OCLUZPRBFPNVRL-CVKSISIWSA-N 475.526 5.551 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(F)c1 59336059 HTHGNJRKIUKVSL-YVLHZVERSA-N 471.315 6.266 50 40 JKGB O=C(N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21)c1cc(-c2ccc(F)cc2)nc2ccccc12 89827836 BUVVSCXNHCHUAD-GOYASZCGSA-N 487.534 6.699 50 40 JKGB Br[C@H]1CC23C=CC2(C[C@@H]1Br)C[C@@H](Br)[C@@H](Br)C3 101044454 ZWHWSQOPWQCLCG-ZYOVFQDESA-N 477.860 5.171 50 40 JKGB Cc1ccc2c(c1)[C@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1ccccc1[N+](=O)[O-])N2 229854085 YQDGDAILSZLFGK-YURKGQEKSA-N 495.988 6.850 50 40 JKGB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccc(F)cc1)N2 229908363 CWVCHWPJVBGHNO-ASDZUOGYSA-N 499.951 6.681 50 40 JKGB CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1cccc(C)c1 408747233 KULSEVDGHATVGC-RUMWWMSVSA-N 494.591 5.359 50 40 JKGB N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1cccc(Cl)c1Cl 408757418 ZTGJJTNVKTVQGE-KGENOOAVSA-N 473.359 7.271 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc2ccccc2c1 408796011 NYNIGDXDLXPHBA-AFUMVMLFSA-N 496.994 7.325 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1ccccc1Cl 408811852 RWBKTURZRZJFCM-UBTJMGRZSA-N 452.982 5.920 50 40 JKGB N#Cc1ccccc1COc1ccccc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1 408857449 OGEQDPPBQFUWOG-VYYCAZPPSA-N 474.314 5.410 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1Cc1ccccc1Cl 408875648 GRXRPRRXCYFQGC-YBFXNURJSA-N 495.804 6.556 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1c(Cl)cccc1Cl 408879552 FELLEZBBPFITMT-RCCKNPSSSA-N 473.359 7.271 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1cccc(Cl)c1 408888845 BTDPTFYUVISHKB-RGVLZGJSSA-N 491.931 6.080 50 40 JKGB Cc1ccc(-c2ccc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)o2)c(Br)c1 408967053 RVNOMKAAOQZNCX-KSEXSDGBSA-N 468.263 5.436 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCC#N 408983094 KJAWYMKKJGALBG-NVNXTCNLSA-N 474.742 5.258 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1cccc(C)c1 408983912 OGDYCLQICMMRNT-IWIPYMOSSA-N 456.973 6.810 50 40 JKGB COCCN1C(N)=C(C#N)[C@H](c2ccccc2OCc2ccccc2Cl)C2=C1CC(C)(C)CC2=O 409124655 LEXBJSWZHQSJEG-VWLOTQADSA-N 492.019 5.302 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 409216349 HMUSSGRVARYZQT-UVHMKAGCSA-N 468.409 6.239 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 409234044 YCNCCSWZDVNKNZ-HMAPJEAMSA-N 478.951 5.723 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 409364663 OIHAWZBUFOBPGM-MUXKCCDJSA-N 471.384 5.891 50 40 JKGB Cc1cccc(NC(=O)Cn2cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)c3ccccc32)c1 1175581 ZDEUDVWMAAXXJU-DEDYPNTBSA-N 482.971 6.096 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1 2299711 NUEKWGVFEHMEQI-IPPBACCNSA-N 476.882 6.100 50 40 JKGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1 3162200 TVIQIJQWYZLHNX-RPPGKUMJSA-N 451.394 5.942 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc(Cl)cc1 9045703 UPLNCTIDMUKRLA-HYARGMPZSA-N 463.053 5.425 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1)c1nc2ccccc2[nH]1 9187517 JZHZRUBPRWEHPS-OQLLNIDSSA-N 497.769 6.605 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cccc2ccccc12 9262229 BNCVJKSJOKUGGZ-XSFVSMFZSA-N 460.364 7.100 50 40 JKGB COc1cc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c(C)cc1[N+](=O)[O-] 9313245 WYPILQHKYYVPMU-RVDMUPIBSA-N 460.471 5.118 50 40 JKGB COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1 9427691 ZMQFDWVZWJFRSX-DIBXZPPDSA-N 477.634 5.400 50 40 JKGB COc1ccc2ccccc2c1[C@@H]1CC(=O)N2CN(c3ccc(C)c(C)c3)CSC2=C1C#N 9693496 OCFZORFBEYDWPD-JOCHJYFZSA-N 455.583 5.685 50 40 JKGB O=C(Nc1ncc(Cc2cccc3ccccc23)s1)[C@H](Br)Cc1ccccc1 11692853 RNULFTCDZISUPN-OAQYLSRUSA-N 451.389 5.832 50 40 JKGB CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCCCC)cc2)cc1OC 12124818 AIWOIKVWLPAPAY-OQKWZONESA-N 464.562 5.767 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc(Br)c1O 12140026 COFXQSYSZBREPI-CXUHLZMHSA-N 463.356 6.504 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)c1OCc1c(F)cccc1Cl 13943657 ABXOPTHUDYFESO-FOWTUZBSSA-N 480.879 5.311 50 40 JKGB N#CC1=C(n2cccc2)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@@H]1c1ccsc1 14944151 XBIVJLFVAVJWTE-OAQYLSRUSA-N 477.387 5.710 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1OC 28217615 WDMAHMCIZCGAHG-LGJNPRDNSA-N 460.361 5.111 50 40 JKGB Cc1c(/C=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 35151465 ILFSXHWEJRWMAC-QGOAFFKASA-N 457.364 7.245 50 40 JKGB O=C(CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31)N/N=C\c1ccc(O)cc1 36038140 MSNZRLIJCGQZSO-LOADRWAISA-N 470.617 5.238 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1Cl 59336471 WJYUBBILTCQETB-ZHZULCJRSA-N 497.809 7.500 50 40 JKGB CCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 100879083 MLMHQVPQUQAQBM-PXLXIMEGSA-N 494.060 7.282 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(OC)c1OCc1ccc(F)cc1 108985755 PHZABROGMFUVRD-KCSSXMTESA-N 498.554 6.068 50 40 JKGB CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)c2C)cc1 408543221 NTLGIDODSKRLQZ-JCMHNJIXSA-N 456.546 5.184 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)c1ccc(C(=O)O)cc1 408544528 WXJHVBZRIUUILF-OCKHKDLRSA-N 468.292 6.033 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c(C(=O)OCC)c1C 408546659 LPIDLZWOTYCHRZ-XDHOZWIPSA-N 453.560 5.252 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 408552896 SCWTVEXYUUGXKN-WQRHYEAKSA-N 480.351 5.865 50 40 JKGB O=C(NNc1cccc(OCc2ccc(Cl)c(Cl)c2)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 408607096 MZBRCNDJDXCZAQ-QGZVFWFLSA-N 470.356 5.069 50 40 JKGB O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccccc1O 408733105 WDXMPAANVULQRD-RGXNXFOYSA-N 491.978 6.934 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC)cc2OCC)cc1 408742566 AVHQDWRZGNKPHM-WJDWOHSUSA-N 459.340 5.191 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC 408789325 JBFKNQHPAJGWTJ-RIYZIHGNSA-N 496.188 6.265 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(F)cc1 408789506 JSKCMIRVJPMMQD-CIAFOILYSA-N 478.951 6.619 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c1 408796412 OYHFUEGVEHJGSN-UDWIEESQSA-N 479.349 6.330 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1Cl 408818794 YYIUYHUJZMXZAF-FOWTUZBSSA-N 498.366 6.669 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Cc2ccccc2Cl)c1 408871967 IOJJXFTTWMGSFF-UDWIEESQSA-N 451.353 6.447 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 408880739 IOIACOVOBNEOAI-RQZCQDPDSA-N 468.296 6.026 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1 408884614 VAJJXCQVGDTKLT-WOJGMQOQSA-N 486.196 6.892 50 40 JKGB N#C/C(=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1)C(=O)Nc1cccc(Cl)c1Cl 408893030 FAOMTQBPABJPMO-CXUHLZMHSA-N 479.279 6.111 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1cccc(Cl)c1 408898828 XWARIAMOZZDKOB-XDHOZWIPSA-N 476.916 5.562 50 40 JKGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)o2)c1 408981864 DEKVIJSFDWTROT-XNTDXEJSSA-N 455.297 5.894 50 40 JKGB Cc1cccc(COc2ccc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2)c1 409039068 QHMVIPWTCIRIEF-RGXNXFOYSA-N 471.560 6.553 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1nc2ccccc2[nH]1 409048699 UQFRLJDJUPIKOC-CXUHLZMHSA-N 454.744 7.166 50 40 JKGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(SCc3ccccc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409332748 HZAIEVWQUZGTLB-RTBURBONSA-N 491.396 5.063 50 40 JKGB Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(OCc3ccccc3)c(Br)c2)c1 409359297 BGRPPMHWSWRWOR-YSMPRRRNSA-N 451.364 5.338 50 40 JKGB O=C(CCCCC(=O)N/N=C/c1cccc2ccccc12)N/N=C/c1cccc2ccccc12 1681398 GXIKXKFOBBSRLO-CZYCKNNWSA-N 450.542 5.154 50 40 JKGB Cc1ccc(C)c(N/C(SCc2cccc(Cl)c2)=C(/C#N)S(=O)(=O)c2ccccc2)c1 2689764 UCQUXDKIXHPLFZ-WCWDXBQESA-N 469.031 6.469 50 40 JKGB CC(C)=CCC/C(C)=C/C=N/NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 3250385 RZPXNBAACKKRGM-AHHMAYOVSA-N 451.570 6.409 50 40 JKGB CCCCCCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1 9007477 KZYDPKBEIZYKJD-LVZFUZTISA-N 491.613 6.541 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc2ccccc2c1 9071422 ODWOKCRECOCZEC-MYYYXRDXSA-N 499.086 6.270 50 40 JKGB O=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 9259312 SIZCHPOVTHKTFY-PGGKNCGUSA-N 495.775 5.796 50 40 JKGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1OC 9292788 ISFJMFZIKLGVMO-SFHVURJKSA-N 457.317 5.009 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1Cl 13923366 PJDWKFTULMPZMM-RPPGKUMJSA-N 476.747 5.315 50 40 JKGB COC(=O)C1=C(C)NC(SCC(=O)C23CC4CC(CC(C4)C2)C3)=C(C#N)[C@@H]1c1cccs1 19851524 CDIMGDMBXZATEM-LXFJAFENSA-N 468.644 5.136 50 40 JKGB O=C(N/N=C/c1ccc(Oc2ccccc2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 20243992 DOGKWKDOFCFOJB-RDRPBHBLSA-N 472.997 7.189 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Br)c1)c1nc2ccccc2[nH]1 22537267 LELINJTZLITRKP-YBFXNURJSA-N 455.315 5.840 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(C)c1 33376274 YRAIIBUBBGDYJS-XDHOZWIPSA-N 494.378 6.173 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OCC)c1OCc1cccc2ccccc12 33745080 FBIDICNNRRHJJU-ITYLOYPMSA-N 463.552 7.749 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 35168467 LZFDXOGCWXWFNN-HNSNBQBZSA-N 483.571 6.769 50 40 JKGB C(=C\c1ccccc1)\C=N/c1ccc(SSc2ccc(/N=C\C=C\c3ccccc3)cc2)cc1 104313865 UTZIQCCOURHJMP-ZPTFHINLSA-N 476.670 9.317 50 40 JKGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc21 208472401 VDOBVGPBBDFZJB-CHHVJCJISA-N 460.792 6.824 50 40 JKGB COc1cccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)c1OCc1ccc(Cl)cc1Cl 408542496 JFMDQGGWBSTRMF-YBFXNURJSA-N 478.379 7.138 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(Br)cc1 408545138 ZGECHZGWANQMRM-GRSHGNNSSA-N 498.760 6.452 50 40 JKGB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)N2C(=N1)SC(C#N)=C2N 408608874 XEASCVKNZVBQGS-LJQANCHMSA-N 488.491 5.302 50 40 JKGB N#C/C(=C\c1ccccc1)C(=O)Oc1ccc(Br)cc1C(=S)N1CCCCC1 408752943 MKSLWORDONOHJQ-GHRIWEEISA-N 455.377 5.123 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc2ccccc2c1 408762158 JLHMWUVNUJZUGK-KGENOOAVSA-N 499.504 5.061 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1cccc2ccccc12 408765591 MLOFWUVJVKJGNH-FOWTUZBSSA-N 488.297 6.316 50 40 JKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2Br)c1 408788186 IWOMPCBPSJMLBP-LPYMAVHISA-N 475.386 6.499 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1 408792800 CHNFLCXMURJUEY-KGENOOAVSA-N 460.917 5.641 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(C)c2)cc1 408794083 HUWFJXXHKLQATM-FYJGNVAPSA-N 461.359 6.191 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408795902 WOQATABVVPIVOA-DEDYPNTBSA-N 495.362 6.295 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc2ccccc12 408802372 ZOYMBZFSJJDGMI-HYARGMPZSA-N 487.386 7.580 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2c(C)ccc3ccccc23)cc1 408817104 VFEKFLXOUVLZGX-XIEYBQDHSA-N 490.559 6.450 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OCC 408832950 SGLYJIAUKPUWKP-XQNSMLJCSA-N 456.542 5.917 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Br)c1)C(=O)Nc1ccccc1 408867821 MCJRTUOPPDRZIM-XDHOZWIPSA-N 496.202 6.348 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1OCc1ccc(Cl)c(Cl)c1 408877467 VGJGPYDZWRAFMC-FYJGNVAPSA-N 495.406 7.079 50 40 JKGB Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C 408877624 WJHJRPYPRORSDP-FYJGNVAPSA-N 450.460 6.447 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2c(C)n(Cc3cccc(C)c3)c3ccccc23)c(C)c1 408910373 KMHZFQUYRMRBDU-ZCTHSVRISA-N 467.613 6.096 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408943814 MFBUTSBYXUYJFF-NVNXTCNLSA-N 488.758 6.298 50 40 JKGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)n1 408977641 JHGUIEKYFPEWQD-LPYMAVHISA-N 486.369 6.242 50 40 JKGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 408979559 MUQJWNBPLUBBQB-ZBCBXWAGSA-N 479.580 5.640 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 409044581 WANMZPOBLNGKNV-CIAFOILYSA-N 475.331 7.698 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1Cl 409051690 FQALAZWUDHACME-RPPGKUMJSA-N 475.745 5.893 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409073494 ZLRUUZWDPNFWCK-YBFXNURJSA-N 494.906 5.701 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1OCc1ccccc1 409074900 NWVDUOAOQYCLHY-XQNSMLJCSA-N 454.526 5.644 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1 409140135 DWTCNKIZVFRTMA-QFIPXVFZSA-N 495.373 5.242 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(N(CC)CC)cc4)c3C)cc2c1 409186405 BSDIDTZISVDMQJ-MIXAMLLLSA-N 472.589 5.849 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)c2C)sc(C)c1C 409196669 RAVFMRJTMCQDCQ-CIAFOILYSA-N 461.587 5.722 50 40 JKGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br 409230201 CJQFKNGWWLGSLI-MLJKTZRHSA-N 467.285 6.191 50 40 JKGB CC(=C/c1ccccc1)/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 1832784 IMNPQHZHBNSKRO-OTDJJOESSA-N 488.016 5.885 50 40 JKGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccccc12 2357112 MIWMOMKSLBUSHC-RWPZCVJISA-N 486.988 5.311 50 40 JKGB Cc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)c(C)n1-c1ccc(Cl)c(Cl)c1 2726977 BGAVFQCXWKPWTR-OPEKNORGSA-N 489.453 6.253 50 40 JKGB COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 3271497 UASAMUOXUYFZSC-DEDYPNTBSA-N 480.442 5.617 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@H](c3ccc(F)cc3)Nc3c(Cl)cccc3[C@@H]2[C@@H]1Cl 8426173 KBFKAEYOXGRGEG-VZQSUIEHSA-N 489.399 7.426 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl 8812552 FVQBDBSEKPHQDH-DHRITJCHSA-N 473.754 5.454 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)c1ccccc1F 33644270 GSDMUDQETXQDOZ-BOPFTXTBSA-N 489.715 6.727 50 40 JKGB Cc1ccc(Cn2c(SCC(=O)N/N=C\c3ccc(C(F)(F)F)cc3)nc3ccccc32)cc1 36729133 BFLZBKXCHNCHKB-NUJZUDFISA-N 482.531 5.654 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Cl)cc1Cl 59401560 XDHFUEABDMCISN-KIBLKLHPSA-N 455.172 6.472 50 40 JKGB N#CC1=C(Oc2ccccc2)N=P(c2ccccc2)(c2ccccc2)N=C1C(Cl)(Cl)Cl 102131248 GPFZQFOEZZNUBM-UHFFFAOYSA-N 486.726 6.393 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(SCc3ccccc3)N=C3CCCC(O)=C32)cc(OC)c1OC 103688217 RDPBPIVUSFXNQY-HSZRJFAPSA-N 462.571 5.915 50 40 JKGB COc1cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2)ccc1OCc1ccccc1 408539761 YQMHRPRANYTAFZ-NLRVBDNBSA-N 490.559 6.399 50 40 JKGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 408612018 TXUAMEDHFGTTSM-MZJWZYIUSA-N 470.356 5.224 50 40 JKGB O=C(O[C@H](CCCl)C(=O)c1ccc(Cl)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408640983 BWRFUUACGGVWNE-SUMWQHHRSA-N 489.182 5.423 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1I 408791909 FELRNHMRECOGEP-NTEUORMPSA-N 464.690 5.055 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br 408792771 CNABIGDRJMXFFN-MDWZMJQESA-N 494.570 5.423 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1ccc(O)cc1 408797378 RFOJNSWCPLYJEQ-GZTJUZNOSA-N 467.294 5.418 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)cc1 408839613 URQLZQUPKULPBV-VULFUBBASA-N 463.946 5.580 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OCc1ccc(Cl)cc1 408892503 BYIGFDADIKHTFF-LICLKQGHSA-N 497.334 5.825 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1ccc(F)cc1 408892772 CIEURIRYQCAQMK-DEDYPNTBSA-N 464.924 6.311 50 40 JKGB C/C(=N\NC(=O)c1cccc(Cl)c1)c1ccc(/C(C)=N/NC(=O)c2cccc(Cl)c2)cc1 408973766 BNGQDGJRWQBTCF-DPCVLPDWSA-N 467.356 5.301 50 40 JKGB CC(=O)N/N=C/c1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1 409013604 MYALUBSBQYLMIV-FOKLQQMPSA-N 476.168 5.414 50 40 JKGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc21 409036912 RWZYNYKLPTYCJJ-FDAWAROLSA-N 490.563 5.492 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccccc1 409047229 NPPWXCQGIPWJNA-GZTJUZNOSA-N 496.350 5.565 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)Nc1ccccc1Cl 409076750 BQWKKIJDZCSLNS-RVDMUPIBSA-N 487.821 6.605 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3o2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409086612 FNGRVWNOHNTCMP-XNTDXEJSSA-N 481.386 6.620 50 40 JKGB O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1cccs1 409093293 ZUFSCVBHYATSLZ-SSDVNMTOSA-N 494.208 5.616 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(Br)cc1 409142559 LVLWDTSTNVNCRG-DEOSSOPVSA-N 493.357 5.351 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)cc2c1 409187001 KRQCVXNFKGIWLD-MUXKCCDJSA-N 483.351 6.481 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3c(OCc4cccc(C)c4)ccc4ccccc34)cc2c1 409187324 OYJSMCFZZRIGGG-MNBJERMJSA-N 478.548 6.636 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)cc1 409228014 ZGCHSWVPKBMFLS-XDJHFCHBSA-N 475.932 5.302 50 40 JKGB CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1Cl 409318636 ZCHRHSAXBLRCDX-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@H]1c1ccc(F)cc1F 606422305 LTGSNWAIGPVHIO-OAQYLSRUSA-N 483.268 5.165 50 40 JKGB N#CC1=C2NC(=O)c3c(sc4c3CCCCC4)N2C2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl 1065435 SFNNVRMYOKKVAX-OAQYLSRUSA-N 476.001 5.760 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)Nc1ccc(O)cc1 1410917 KSIOPGOHYNHBDZ-ODLFYWEKSA-N 474.314 5.151 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cccc(Br)c1 1805755 SFIPHHUCRTUXOD-XYOKQWHBSA-N 495.682 6.927 50 40 JKGB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1 2277736 ZUYFBSBKDDQULF-RCCKNPSSSA-N 482.561 6.706 50 40 JKGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2c1CCCC2 2669788 OVSLHQJBMYMKEG-NTCAYCPXSA-N 477.498 5.127 50 40 JKGB COc1cc(Br)ccc1OCC(=O)N/N=C/c1c2ccccc2cc2ccccc12 3170561 NYEJETAUHAVHAH-VULFUBBASA-N 463.331 5.293 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(NC4CCCC4)c([N+](=O)[O-])c3)c2C)c(C)c1 8450439 GAWJJLUMQHXDAO-HZHRSRAPSA-N 497.599 6.519 50 40 JKGB CCCCCCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(OCC)cc2)cs1 9057840 SKTQMADWNNLFMD-DYTRJAOYSA-N 475.614 6.922 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(Br)ccc1OCc1ccc(F)cc1)OCO3 9296359 WALNXBIUHAYSGB-HSZRJFAPSA-N 495.304 5.114 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 9668274 LHJCMHWDHVWUBN-CIAFOILYSA-N 466.364 7.069 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 33406468 JCYRMQWUPKXHPJ-XLNRJJMWSA-N 494.576 6.699 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccc(Br)cc1 33600174 JNCKBSBFQBHMDN-LGJNPRDNSA-N 466.766 5.869 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(Br)ccc3OCc3ccc4ccccc4c3)[nH]c2c1 35078452 UTNBAWYJIZIZEM-UCQKPKSFSA-N 494.392 7.430 50 40 JKGB CC(=O)Nc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 59336087 KLGKXIWGDMCRAG-PDGQHHTCSA-N 467.356 5.905 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(F)c1 59336476 QJJLJOBZFYCFMF-MOSHPQCFSA-N 481.354 6.986 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(SCc3ccccc3Cl)N=C3CCCC(O)=C32)ccc1O 100703056 OYHXNRPORPPREB-JOCHJYFZSA-N 452.963 6.257 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1OCC 108167402 SLSYYQGVWFCOAZ-MBTHVWNTSA-N 470.919 6.481 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)c1 109031083 CVAMFFSOGNRYDG-LDADJPATSA-N 463.896 5.351 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(O)c(Cl)c3)o2)cc1 110366111 DWECGKZIPWKXCL-VYYCAZPPSA-N 463.921 5.389 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(OC)c(/C=C(/C#N)c3ccc(OC)cc3)cc2OC)cc1 114668458 SWCVXIHTHOWBDD-NQGGHMMCSA-N 452.510 5.849 50 40 JKGB COOP(=O)(Cc1ccc(-c2ccc(CP(=O)(OOC)OOC)cc2)cc1)OOC 168555196 YHWRXXIIQWXQSQ-UHFFFAOYSA-N 462.328 5.052 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1cccc(C)c1 408566940 BSOKKMHXRHAEGB-GRSHGNNSSA-N 461.924 6.706 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1cccc(F)c1 408580025 MPHIURJRAOGPJH-FRKPEAEDSA-N 462.735 7.438 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1 408584039 ZPAUWZIAAYHIPW-QGOAFFKASA-N 470.344 5.290 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(Cl)cc1Cl 408602611 CTVMZMNZCJZSGC-IBGZPJMESA-N 471.369 5.079 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2O)c1C 408724985 IABWXBRTKJWQOS-MLPAPPSSSA-N 450.130 5.080 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(I)c1)C(=O)Nc1ccccc1 408744245 XNIPDLKXDZSXCK-UYRXBGFRSA-N 480.305 5.416 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)cc1 408745140 KCTROUWJSJLORM-ULJHMMPZSA-N 495.554 6.367 50 40 JKGB COc1cc(C(=S)N2CCC(C)CC2)cc(Br)c1OC(=O)/C(C#N)=C/c1ccccc1 408752888 LNGYMJYUOHKYDZ-XDHOZWIPSA-N 499.430 5.378 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 408771118 CQPNIPMTGTYTGE-PDGQHHTCSA-N 450.336 5.411 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1C 408800124 KSCTZLHBKPMIOR-YDZHTSKRSA-N 489.413 6.807 50 40 JKGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12 408800776 QWAAOGRKYWVVCX-JUIBXWIASA-N 476.418 6.054 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2c(C)ccc3ccccc23)cc1 408805554 GPLZEIGNAWWPND-XQNSMLJCSA-N 478.548 6.290 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccccc1 408807938 IKEMICHPWSHWFY-GNFOSXPUSA-N 461.359 5.812 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1C 408812296 SDHLXPFLFYNIMO-YZSQISJMSA-N 460.577 7.198 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 408819043 WKCQPPNBLQCQNI-XDHOZWIPSA-N 481.335 5.905 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1c(C)ccc2ccccc12 408819644 YHBKDLNDLWCDHB-FYJGNVAPSA-N 498.966 6.641 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc([N+](=O)[O-])c1O 408851184 WESBXKFHNWMSHQ-UDWIEESQSA-N 473.485 5.132 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3ccc(F)cc3)o2)cc1 408855248 DUOWELOVRHJQOJ-DXJNIWACSA-N 463.512 6.616 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(OC)c1 408867523 IVXOEEAHJOOAPA-KOEQRZSOSA-N 462.549 6.535 50 40 JKGB CCOc1c(Br)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1OC 408905221 VIPOBTZMMIYIJS-FBHDLOMBSA-N 485.176 5.083 50 40 JKGB Cc1ccc(Sc2oc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2Br)cc1 408911541 NTIGIWFMIUVUGG-AUEPDCJTSA-N 484.202 6.572 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(Cl)ccc3C)c2C)cc1Cl 408934208 BJBKCIUAJNIVRQ-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2Cl)c1 408961247 LRROQEHZARYMJO-KKMKTNMSSA-N 498.322 6.299 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1C#N 408984399 QMAYGJXPNRWTIT-IWIPYMOSSA-N 467.956 6.373 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 409041916 KXCHKGQOVXTTDV-QGOAFFKASA-N 476.330 5.012 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 409087666 DBUZOVWMWKRCTF-NTEUORMPSA-N 461.821 5.889 50 40 JKGB Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)o2)c(Br)c1 409229732 UHMGIXVXRCLNBF-LCYFTJDESA-N 476.157 6.870 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 409229784 VAGDFAGEAUZKMD-WCEBZYJUSA-N 464.924 5.851 50 40 JKGB C=C(/C(C#N)=C/c1ccc(OC)c(OC)c1)N(Cc1ccc(Cl)cc1Cl)c1ccccc1N 409331224 DIEXRMNPPKQYEE-UDWIEESQSA-N 480.395 6.720 50 40 JKGB N#C/C(=C/c1ccccc1OCc1cccc(Cl)c1)c1ccc(I)cc1 409369149 FIIUEBYNNLDBCE-UYRXBGFRSA-N 471.725 6.588 50 40 JKGB COc1ccc(C(=O)N/N=C/c2c(OCc3cccc(Br)c3)ccc3ccccc23)cc1 3162156 XFTBNTZXAXWJSM-LQKURTRISA-N 489.369 5.954 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)c(O)c1 3252930 FDLGCIDOOHXMPH-AJBULDERSA-N 480.564 6.191 50 40 JKGB CC[C@@H](Nc1ccc(OC)cc1)C(=O)NN=Cc1ccccc1OCc1ccc(Br)cc1 8397234 SJWCDPXAOGWNPI-HSZRJFAPSA-N 496.405 5.378 50 40 JKGB CCOc1cc(C(=O)N/N=C(/C)c2cccc(NC(=O)C3CCCCC3)c2)cc(OCC)c1OCC 8455664 KZDAZCPGHZDKHD-FSGOGVSDSA-N 495.620 5.556 50 40 JKGB N#C/C(=C\Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2ccc3c(c2)OCO3)cs1 9065118 MOJDGIDMOREMIU-QGOAFFKASA-N 485.952 6.400 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCCOc1ccc(C)cc1 9425458 VLWLDGQQZBPZIX-HMMYKYKNSA-N 485.565 5.617 50 40 JKGB CC[C@H](C)c1ccc(-c2cc(C(=O)NNC(=O)c3ccc4c(c3)OCO4)c3ccccc3n2)cc1 13138248 TYNFUTAGDQRZLH-KRWDZBQOSA-N 467.525 5.219 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)NCCc1c[nH]c2ccccc12 15231334 MNOJMCKGSXDGAN-WJDWOHSUSA-N 460.877 5.255 50 40 JKGB CCCCSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2OC)=C(C)N1 20171583 LKQUGAOXIMNKFW-HSZRJFAPSA-N 468.022 6.217 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 26123744 MMEWLXRZZRKFPB-MFKUBSTISA-N 453.336 5.191 50 40 JKGB CN(C)c1ccc(/C=N\NC(=O)CCn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1 33154917 IWPAGRYCRFFRHW-DICXZTSXSA-N 453.373 5.708 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1sc2c(c1C#N)CCCC2 35074276 CJOCHKKGTKSJQO-YVLHZVERSA-N 495.435 6.759 50 40 JKGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3c4ccccc4cc4ccccc34)cc2)cc1 58900834 HWRHGYXNNWQEJL-ZCTHSVRISA-N 457.533 6.318 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 59272362 KIZJSJAPGAAEAL-VCHYOVAHSA-N 494.809 7.504 50 40 JKGB CCS(CC)(CC)C[C@H]1CCCC2=CC[C@H](P(=O)(c3ccccc3)c3ccccc3)C[C@H]21 102942008 QSMSZCUPJSORMZ-QUFBTCJSSA-N 468.687 7.370 50 40 JKGB CCOc1cc(C(=O)Cl)cc(I)c1OCc1ccc(F)cc1Cl 217711093 JDKITMZKHLHOGT-UHFFFAOYSA-N 469.077 5.440 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 408535769 ZZYONAQJGQWHSL-RWPZCVJISA-N 496.405 5.297 50 40 JKGB Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 408568110 HXWYYXMEYNSCBP-HMAPJEAMSA-N 480.518 6.892 50 40 JKGB Cc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2C)n1 408727430 WWLPFTWCHMOZIP-RUMWWMSVSA-N 470.576 6.587 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc2ccccc2c1 408739440 CAEWPBBAZXJVJC-RWPZCVJISA-N 477.333 6.084 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 408746345 RYSBBMSJPKMTKY-PDGQHHTCSA-N 497.776 6.236 50 40 JKGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)c1ccc(Cl)cc1Cl 408757617 AXIJZFGOMOXQDN-JFLMPSFJSA-N 499.375 5.678 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccccc1I 408762008 JDBCOJCSTACPCC-UYRXBGFRSA-N 480.305 5.416 50 40 JKGB C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 408766187 AAEJZTCTGKCIOQ-NHFJDJAPSA-N 484.021 5.001 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1cccc(C)c1 408790996 SHKJAKUXIBXQCW-KEBDBYFISA-N 481.379 6.744 50 40 JKGB Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 408795717 MVVKSFHZXFPRFE-ZXVVBBHZSA-N 474.560 6.699 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1cccc2ccccc12 408796491 YLAHLHXQIUVTLM-XQNSMLJCSA-N 482.967 7.017 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2c(C)ccc3ccccc23)cc1 408800373 OOKJJHIFMNRMIC-LFVJCYFKSA-N 480.995 7.489 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)c1ccccc1 408806491 JIMYWRWDQSJSLF-QTCOBDOFSA-N 484.397 6.236 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(OCc2ccc(C)c(C)c2)c1 408816151 RCRZGPMLLXNILF-LPYMAVHISA-N 460.961 6.399 50 40 JKGB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2cccn2-c2ccc(Br)cc2)c1 408846236 PPVSBDUGPFXVGR-UHFFFAOYSA-N 495.808 6.065 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 408861581 DCYCLRAJZBFLSB-WOJGMQOQSA-N 494.809 7.504 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1ccccc1Cl 408888754 ACBXAFPVDJNJHZ-DEDYPNTBSA-N 481.379 6.825 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(Cl)c1 408889943 LMFAYBIHQHEOBB-UVHMKAGCSA-N 477.775 6.388 50 40 JKGB Cc1ccc(Sc2oc(/C=N/NC(=O)c3cccc4ccccc34)cc2Br)cc1 408914242 XLTIVLZLERLZJS-AFUMVMLFSA-N 465.372 6.419 50 40 JKGB CC[C@H](C)Oc1c(Br)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC 408961238 LOEJSSIWEMGFLF-LITAXMHPSA-N 490.310 5.053 50 40 JKGB COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)oc12 408968421 WLKKYBZMONPIOO-RWPZCVJISA-N 488.544 5.819 50 40 JKGB CC(C)COc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1 409044415 CSPDSNTVXGHNDL-VIZOYTHASA-N 480.156 6.219 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OCC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409088511 FUXLAEYRCFJWJI-KGENOOAVSA-N 471.469 6.487 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1ccc(F)cc1 409391642 JBBMPABZJFNQKI-GRSHGNNSSA-N 470.313 6.769 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Cl)c1OCc1ccccc1Cl 409392455 PMAWSUJCSVUEJT-ZDLGFXPLSA-N 494.378 6.920 50 40 JKGB Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1 934961 GMJHNVDUONCVFY-SJCFVWOQSA-N 481.621 5.089 50 40 JKGB CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CCC3)cc1 1022998 WDDHOAMFZRMENP-XMMPIXPASA-N 470.598 5.202 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Cl)cc1 1799124 MCLRQHSMNDGFMR-AUEPDCJTSA-N 468.797 5.168 50 40 JKGB COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 1835876 PCDNXOAQPZFSCH-NMKRPIGBSA-N 483.597 5.159 50 40 JKGB Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)N=C3CCCC(O)=C32)o1 2310888 FQAPPFFXVOQWAF-NRFANRHFSA-N 453.951 5.883 50 40 JKGB CCCCOc1ccccc1/C=N/NC(=O)c1ccc(OCc2ccc(Br)cc2)cc1 3084189 RYSZNZYNZOGIEG-WPWMEQJKSA-N 481.390 5.971 50 40 JKGB CC(C)(C)c1ccc(OCc2ccc(C(=O)N/N=C/c3ccc(N4CCOCC4)cc3)cc2)cc1 3292030 AIDZYDBAWCWUFI-TWKHWXDSSA-N 471.601 5.164 50 40 JKGB CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c21 8569387 AVROTMMVRRADJC-DEOSSOPVSA-N 464.525 5.273 50 40 JKGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)CCC2)S(=O)(=O)c1ccccc1 8873594 IHFQDAOCCZNPSR-ONUIUJJFSA-N 451.551 5.366 50 40 JKGB CCN(CC)c1ccc(-n2c(C)cc(/C=N/NC(=O)COc3cccc4cccnc34)c2C)cc1 9261982 NZJOBVQBOPOVBQ-UXHLAJHPSA-N 469.589 5.018 50 40 JKGB N#C/C(=C/c1ccc(Cl)c(Cl)c1)c1nc(-c2cc3cc(Cl)cc(Cl)c3oc2=O)cs1 16384200 UWNGMOJXBMIOIZ-BASWHVEKSA-N 494.186 7.594 50 40 JKGB CCCCSC1=C(C#N)[C@H](c2cc(OC)c(OC)c(OC)c2)C2=C(CC(C)(C)CC2=O)N1 20347719 YDOHZOKUAMWYRF-NRFANRHFSA-N 456.608 5.311 50 40 JKGB C=CCc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(OCC)c1OCc1ccc(C)cc1 33581807 RXYXQCBTKSNRSS-MIXAMLLLSA-N 487.556 5.302 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Br)cc1 35190869 KDTUZQMPEVGAIJ-MOSHPQCFSA-N 479.330 6.399 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1Cc1ccccc1 59336131 LTJQXXIDCAKMEI-RGEXLXHISA-N 460.364 6.851 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1Cl 59336213 WPJLKYMXPFABLA-BOPFTXTBSA-N 487.770 6.780 50 40 JKGB O=C(OC(=O)/C(=C/c1ccccc1)Cc1ccccc1)/C(=C/c1ccccc1)Cc1ccccc1 68564282 DOSSCVBZRKLATM-LMFBUFHBSA-N 458.557 6.709 50 40 JKGB CC[C@@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C/C(=N\NC(N)=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118929298 QWWXGNJMFCGJLT-WUYHJYIDSA-N 467.742 7.464 50 40 JKGB Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)cc2)c(C)c1 216039831 BFSUGLJKGPYSGS-YSMPRRRNSA-N 451.364 5.338 50 40 JKGB CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 408540908 WXBJACSHPYIXNV-IWIPYMOSSA-N 492.370 5.479 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1cccc(Cl)c1 408599528 VTHFCNYGQRMTJZ-ZDLGFXPLSA-N 459.170 7.399 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)NNc3ccccc3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1C 408601796 BNSRJGLBXSYXAW-LJQANCHMSA-N 498.410 5.685 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccc(C)cc3)n2)cc1OC 408724138 GEULHSSWRKDOFY-ZCTHSVRISA-N 490.563 5.782 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 408745777 VMEDJNRDUSXDHY-BKUYFWCQSA-N 476.960 6.180 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cccc2ccccc12 408763609 PXFCNSXDKUZLEG-UQQQWYQISA-N 462.549 6.672 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1cccc(F)c1 408794898 KHWMPVRINBRVEX-KEBDBYFISA-N 464.924 6.229 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1C 408806914 CFFCPTQJVYMCLH-YDZHTSKRSA-N 489.413 6.807 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)c2C)sc2c1CCCC2 408816987 SSAJXKOMAUADJT-SJPXOZHESA-N 453.608 5.033 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OC(=O)c1ccc(C)cc1 408878935 DEAVDMPVHAGXME-LDADJPATSA-N 481.335 6.075 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1c(Cl)cccc1Cl 408887463 OOKMWRQJHSGGSH-XMHGGMMESA-N 487.342 6.911 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccccc1C(=O)O 408889389 FXBIWKALHLRDFB-LDADJPATSA-N 477.314 5.272 50 40 JKGB Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1 408890808 ZNJBYBZBJJMBBX-XQNSMLJCSA-N 466.968 7.235 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC(=O)c1ccccc1 408895167 MINHLQAGAYYUOE-SFQUDFHCSA-N 467.308 5.767 50 40 JKGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 408958048 XGVJAYFJYLHIMO-RISTVWDVSA-N 475.814 5.958 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1cccc(C)c1 409044365 BOMOXLNSDYWAPT-KGENOOAVSA-N 457.486 5.384 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC(C)C)c(Br)c2)cc1 409045379 YFGHLJLHQSZJHY-LZYBPNLTSA-N 492.211 6.101 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1Cl 409049611 XGBYXWYFHHUEHM-SFQUDFHCSA-N 466.324 5.557 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OC)c1OCc1ccccc1Cl 409068852 JKIIQILPROQCMB-PXLXIMEGSA-N 458.945 6.202 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1F 409234237 JIWKHCGCFGQGPD-FPJJECCMSA-N 478.951 6.241 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(Br)c1OCc1ccccc1 409309675 KTVJLJNZMSBQTR-HAHDFKILSA-N 484.393 7.644 50 40 JKGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C2C#N)cc1Cl 409323983 QMZWHTVSZPOVAP-CYBMUJFWSA-N 495.910 5.078 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccccc1 409352955 XRPZDNIRSLBLMI-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)ccc1OCc1ccc(Cl)cc1 409359266 AYYBTZLVBXICRI-ZVHZXABRSA-N 465.040 5.354 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccc(F)cc1 409390721 GRTVENLYLLEPRV-GRSHGNNSSA-N 470.313 6.769 50 40 JKGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/C=C/c1ccccc1 1795537 JBKPNERPFCXSOY-WGXYEJQQSA-N 476.652 5.891 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 2077401 VUEZCRNIDWBTGF-MZJWZYIUSA-N 473.356 5.500 50 40 JKGB CCCOc1ccc(-c2cc(C(=O)N/N=C/c3cc(OC)ccc3OC)c3ccccc3n2)cc1 2089769 QZZVCZIERJQNRT-RDRPBHBLSA-N 469.541 5.472 50 40 JKGB Cc1ccc(OCCOc2ccc(Br)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1C 9434641 IPIZVTNYQOVKIJ-DEDYPNTBSA-N 495.373 5.340 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)c1 12273771 DBMIJHYBVLQVQD-OGCOBRASSA-N 488.012 6.022 50 40 JKGB Cc1ccc(OCCOc2ccc(Br)cc2/C=N\NC(=O)Nc2ccccc2)cc1 13940235 RBERCANIBKXBCZ-XYGWBWBKSA-N 468.351 5.371 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1 19939850 PXXDJCVSSZSNSE-MHZLTWQESA-N 494.620 5.702 50 40 JKGB C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 19948472 VUAXYRAZSVYYOE-QUPMIFSKSA-N 491.657 5.337 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 35253730 XDYQDVSWHRURMN-LFIBNONCSA-N 471.498 5.140 50 40 JKGB CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)cc1 38650343 JNGPZIFDSPSLDE-AREMUKBSSA-N 470.525 5.311 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 58913214 KKMSXHFURSNBGB-KBKYJPHKSA-N 477.779 5.452 50 40 JKGB CO[C@@H](C(=O)N/N=C(\C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2)c1ccccc1 58917323 RWMSLTACYJYAJB-ZDYCUTLESA-N 451.570 5.741 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccccc1 59224810 XWBZYZXSUTZGQK-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccccc1Cl 59282102 CXOGSCVGIABJQF-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB Cc1cc(C)cc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccccc2)c1 59472808 IZCCHTPFALQPCK-UHFFFAOYSA-N 469.651 5.207 50 40 JKGB Fc1cccc(CP(Br)(Cc2ccccc2)(c2ccccc2)c2ccccc2)c1 95612003 BLCHSAGFJMERDQ-UHFFFAOYSA-N 465.346 7.040 50 40 JKGB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)N(C1CCCCC1)C1CCCCC1)[C@H](OC(=O)CCl)C2 100661580 SJOHDHIPPUYCTN-JLGINSKQSA-N 474.107 5.261 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OCC 408538768 QOPNRGWVYVSDGH-STZFKDTASA-N 499.449 6.969 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccccc1 408542464 LRQMBZSQBHSWEQ-MTJSOVHGSA-N 478.342 6.189 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(C(=O)O)cc1 408542780 NVBKMKGAAFLFDE-ODLFYWEKSA-N 479.286 5.699 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1 408543390 QTYRXGBSJVHLOZ-KQWNVCNZSA-N 462.505 5.971 50 40 JKGB N#C/C(=C\c1cc(Br)cc(Br)c1O)c1ccc(Br)cc1 408581632 YBOHXBNXKXRBNH-VZUCSPMQSA-N 457.947 5.744 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccc(Cl)c(Cl)c4)c3)CC2=O)cc1C 408611186 VJFJGMLRZACSID-IBGZPJMESA-N 498.410 5.685 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3ccccc3Cl)cc2-c2ccc(-c3ccccc3)cc2)cc1 408723996 BWHFBGSBXPAXEF-UZWMFBFFSA-N 490.994 6.932 50 40 JKGB Cc1ccc(-c2cc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3C)nn2-c2cccc(C)c2)cc1 408727845 YBCAZYDQFYTGHG-JVWAILMASA-N 453.502 5.137 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2ccccc2)c2ccccc2n1Cc1ccc(Br)cc1 408740252 ASUNLVILGGCJOF-HKWRFOASSA-N 470.370 6.306 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(Cl)c1 408792628 BLRFQCCJZSBEJB-KEBDBYFISA-N 462.336 6.298 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccccc1 408796712 PRCRVJDRQXMINS-LDADJPATSA-N 451.295 5.713 50 40 JKGB Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 408806234 MHFCKUGVWDTHFV-KGENOOAVSA-N 487.386 7.580 50 40 JKGB Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1 408819034 WJPPJECPNKMHTR-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)c1 408819573 XUSPEWHQFNRLJN-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408847774 ROZNUNHPTAADHA-ZMFRSBBQSA-N 479.876 5.346 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)cc2)c([N+](=O)[O-])c1 408886150 IKDTZQHFGZQPHE-XQNSMLJCSA-N 463.493 6.181 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1c(Cl)cccc1Cl 408888108 WWKXUVOITDEXGF-GXDHUFHOSA-N 499.266 6.148 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3F)cc2Br)c1 408897836 ZTPIAYGFTNYMCD-UDWIEESQSA-N 479.349 6.330 50 40 JKGB CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)c4nc5ccccc5[nH]4)cc3[N+](=O)[O-])sc2c1 408989353 HMGANHSBNGAALJ-LFIBNONCSA-N 499.577 6.695 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1 409043841 AWAFSJHGNNKXBR-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1)c1nc2ccccc2o1 409068165 HOYLEKFSUBKROV-XNTDXEJSSA-N 471.321 5.966 50 40 JKGB COc1cccc(/C=N\NC(=O)c2cccc(Br)c2)c1OCc1ccc(Cl)cc1 409085318 YVDVFOFLQNHVMV-MXAYSNPKSA-N 473.754 5.454 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2cccc(F)c2)c(Br)c1 409134882 OQCMOOSWEVMSMN-QFIPXVFZSA-N 467.294 5.091 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCc1ccc(Cl)cc1Cl 409197421 FBNZZFMHJSEONQ-DHRITJCHSA-N 463.386 5.725 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc(Cl)c2)cc1OC 409309093 BHZJVUCAMBCYQH-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)o1 409370792 BFBKLKKIDSJUMP-YSURURNPSA-N 482.161 6.000 50 40 JKGB Cc1cc(C)c([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1CSc1ccc(Cl)cc1 651023 ZNGYNUWRUZPVOD-BVAGGSTKSA-N 485.056 6.843 50 40 JKGB N#C/C(=C\Nc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2278140 RDNPGEQARXSUSK-XMHGGMMESA-N 481.930 8.126 50 40 JKGB CC1CCN(C(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)CC1 2308197 RATHZFGWIWJQID-JSIHEXFSSA-N 466.006 5.025 50 40 JKGB O=C(Oc1ccc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1)c1cccc(F)c1 3087369 SYMLVSNYFYCVQZ-RLBGMPNZSA-N 478.523 5.501 50 40 JKGB N#CC(C(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)=C1Nc2ccccc2N1 3284470 KYSNDWUHNXUVQK-UHFFFAOYSA-N 486.940 5.615 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc(-c2ccccc2)nn1C12CC3CC(CC(C3)C1)C2 8768128 PZTOVVPSULXXFD-QSMSYYNHSA-N 494.639 5.926 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1cccc2ccccc12 9008474 QATJASIZFUYCIS-MWAVMZGNSA-N 491.620 6.028 50 40 JKGB O=C(NNc1ccc2ccccc2n1)C(O)(c1cccc2ccccc12)c1cccc2ccccc12 9355109 PKODSOSWNIMAJM-UHFFFAOYSA-N 469.544 5.920 50 40 JKGB N#C/C(C(=O)N1CCCC1)=C(/Nc1ccc(Cl)cc1)SCC(=O)Nc1ccc2ccccc2c1 9579727 OVZQXQVFWLLWDL-WJTDDFOZSA-N 491.016 5.635 50 40 JKGB Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)s1 13233110 JEYULAVFACTPOB-WYMPLXKRSA-N 455.008 5.350 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(C)cc3)C(=O)N2c2ccccc2)cc1 13581809 VEVDPZUVYFCVIQ-FYAMCCBRSA-N 469.566 5.069 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccccc1C(=O)O 13596790 ZUXPOILTYSEFMF-VULFUBBASA-N 498.008 5.044 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)c(C)n1-c1cccc(Cl)c1Cl 16268584 HZWWFNYRTKHIND-UVHMKAGCSA-N 452.341 6.024 50 40 JKGB CS(=O)(=O)N(CC(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1cccc2ccccc12 19955282 RVSRJFSTHJCOGI-RDRPBHBLSA-N 481.577 5.063 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)c2ccccc2)=C(C#N)[C@H]1c1ccco1 20348194 STUQYYGOERVWIF-QHCPKHFHSA-N 470.550 5.292 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c1 24605327 BCPMOZQIKUVIIM-DEDYPNTBSA-N 473.485 5.127 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 27019900 SBFQQMZOTFKDDI-OWJYGESUSA-N 490.607 6.421 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)cc2)cc1 28214184 JGOZCABOPIAXFW-UBXTYJAUSA-N 482.005 5.297 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Cl)cc1 33415809 BVGVBUSJIQWOBF-UXHLAJHPSA-N 479.020 6.308 50 40 JKGB O=C(COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Cl)Nc1ccccc1F 34703054 QBXAYJQDZAZREB-WKIKZPBSSA-N 465.868 5.007 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 34746018 HSNXRPLEJWKSDF-HMAPJEAMSA-N 480.524 6.160 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccc(Br)cc1 35131597 PHSZMDBRHLQIBH-UYRXBGFRSA-N 452.323 6.630 50 40 JKGB COc1cccc(OCCn2cc(/C=C(C#N)/C(O)=N/c3nc4ccccc4s3)c3ccccc32)c1 41120697 JBGIBDBWYCHVCE-XDJHFCHBSA-N 494.576 6.534 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)c(Cl)c1 59447375 JJYCNLUBHKDWPC-KBKYJPHKSA-N 468.167 6.643 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 59536717 GUIVMOHLGOXVFA-LICLKQGHSA-N 487.770 6.780 50 40 JKGB Cc1ccc(/N=N/C(=N\NC(=O)c2ccccc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 104315731 HMZARWJBXATASW-VNJLCCJNSA-N 477.572 5.813 50 40 JKGB CCCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC 108133665 LVBAZVUPKDKQJP-DHDCSXOGSA-N 463.759 5.836 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(CCCC)cc2)cc1OC 408538636 AWPRAWVLLRRPDR-BRPDVVIDSA-N 473.057 7.194 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)NNc3ccccc3OCc3ccc(Cl)cc3Cl)CC2=O)cc1 408606069 LIVIMXVKIBACKX-GOSISDBHSA-N 484.383 5.377 50 40 JKGB O=C(N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc(N2CCCC2)cc1 408678510 ZTRIIUQPUGJJQG-ZCTHSVRISA-N 483.999 6.436 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 408754955 LWQMLPKAESIZQS-ATVHPVEESA-N 467.308 5.767 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)O)cc1 408759853 MWXBPNGQNDQQMN-VCHYOVAHSA-N 454.309 6.343 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)sc2c1CCCC2 408777047 UXDUJSKISLWGLV-RGEXLXHISA-N 459.571 5.367 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc2ccccc2c1 408780860 MDSUXBFORGMBRS-NHDPSOOVSA-N 479.374 5.621 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc(I)cc1 408781205 AWLAWXZYVMYKTB-MOSHPQCFSA-N 486.353 5.030 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 408798069 UOESMXDMEZNZFB-XDHOZWIPSA-N 450.897 6.002 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)cc1 408820105 VDXNTEZDEMQGSM-ZSOIEALJSA-N 472.284 5.394 50 40 JKGB Cc1ccc(NC(=O)N/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c(C)c1 408858452 SFBAZVJUDSYLRZ-KSEXSDGBSA-N 478.799 6.619 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1 408867192 JZOZCINGVQOKJP-VULFUBBASA-N 483.362 5.118 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)c(Br)c2)cc1 408871667 ZPUURDPETJRCPZ-YDZHTSKRSA-N 459.387 6.511 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1ccc(Cl)cc1 408890328 RLVBDNNHSIEJPU-CPNJWEJPSA-N 476.916 5.562 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1ccccc1 409227556 PXRNYUWICMOWHR-IVKFTBJLSA-N 455.561 6.627 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)c1ccccc1 409235409 PLMAUYPDXHGOSR-FIJRTHIRSA-N 476.363 6.228 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)cc1Cl 409247364 BRJSMHYYSOSGBY-WOJGMQOQSA-N 480.351 5.865 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1cccc(C)c1 409392169 LRPQKQDTCQOYCS-JMIUGGIZSA-N 452.323 6.548 50 40 JKGB CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)N(Nc3ccccc3)C3=C2C(=O)CCC3)cc1Cl 639255 MWHDAKRHDJKLCX-OAQYLSRUSA-N 469.372 5.519 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(I)cc1 1204277 LPKBHHUKAKLPIY-QGOAFFKASA-N 473.358 5.055 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(n3cccc3)OC3=C2/C(=N/OCc2ccc(Cl)cc2)CCC3)cc1 8762255 VOTPAMKVXQWIHY-YQFLVVOTSA-N 485.971 6.667 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1 8812584 YGSYMCATXGZEIV-AFUMVMLFSA-N 453.336 5.109 50 40 JKGB COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1 8817636 ITDMBJMBPZZNSZ-JFLMPSFJSA-N 492.004 5.147 50 40 JKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 10059246 RIHUNCWXZBQVCM-UPHQNKNSSA-N 450.966 5.962 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCCOc1ccc(C2CCCCC2)cc1 16157729 AIBQWMJWSFDCSX-SZXQPVLSSA-N 480.608 7.046 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 20135251 QWLRXJHMGIYFBW-VWLOTQADSA-N 476.598 5.452 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 20197566 YAPLHURXOGJZGE-WKULSOCRSA-N 480.395 6.549 50 40 JKGB COc1ccc(C(=O)N/N=C/c2c(Br)c(C)n(-c3c(C)cccc3C)c2C)cc1 20243861 IUYGWVAIGLUJDX-DHRITJCHSA-N 454.368 5.246 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1 20348393 BHFUGYRUORQLCC-MHZLTWQESA-N 494.620 5.702 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)c1 26779420 BTQBJCALDQXCOE-JZJYNLBNSA-N 478.552 5.638 50 40 JKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1 27563890 KWKBJQMBPMKRNP-XMHGGMMESA-N 451.979 6.497 50 40 JKGB Cc1ccc(N/C=C(/NC(=O)C(C)(C)C)[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 100470245 HRHONBFZEIARBL-KRUMMXJUSA-O 493.611 6.362 50 40 JKGB COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C(C)C)cc3)C3=C(O)CCCC3=N2)c1 102499220 HCPXECJBEJNUIA-AREMUKBSSA-N 487.625 6.460 50 40 JKGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 102625272 BXNYXXMRBIWBFD-QHCPKHFHSA-N 463.990 6.290 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 209279680 RZRTUSFJFAZRSQ-UNOMPAQXSA-N 497.378 6.525 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)cc21 223479700 SLYMIJBSASZHEE-WKIKZPBSSA-N 460.405 5.933 50 40 JKGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Br 408551744 FTNXXOVMOJTZIL-LFIBNONCSA-N 483.435 5.653 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)cc1 408742515 ANZKUVBSFWSIGI-ZHZULCJRSA-N 478.390 6.109 50 40 JKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 408749192 FJHVWHCYGCJRTO-YKQZZPSBSA-N 471.988 5.442 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(Br)c1OCc1ccccc1 408749957 VJGHUAXAACQUIJ-JFLMPSFJSA-N 497.389 5.508 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1 408793070 DBRQDGJQZAFNKP-LPYMAVHISA-N 460.961 6.480 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408837065 YLXMUMOKFBMXTM-XSFVSMFZSA-N 479.363 6.683 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1Cc1ccccc1Br 408868846 NRCMUYCAWROVNA-OEAKJJBVSA-N 489.413 6.601 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccccc1F 408891484 RGKPLPFPKJPPHF-XDHOZWIPSA-N 461.449 5.176 50 40 JKGB O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cc(-c2ccccc2)nc2ccccc12 409031268 AFMQESPOWXWGDX-VTNSRFBWSA-N 485.465 6.945 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 409046223 JFNGKRZUBYOEGF-FRKPEAEDSA-N 494.161 7.852 50 40 JKGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 409047758 PJVOAXGRKPWVRJ-IDXHKPKTSA-N 491.429 6.458 50 40 JKGB Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1 409048552 RWQAIYJJDJOXTN-VCHYOVAHSA-N 453.325 6.132 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1OCc1ccccc1F 409074553 MVTUBIGUYKQXRE-BUVRLJJBSA-N 470.544 6.304 50 40 JKGB N#C/C(=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 409082882 JXGPFBYAMFYLRT-DHDCSXOGSA-N 487.821 6.605 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 409091192 QHTDPXZFDNTZCA-LICLKQGHSA-N 492.875 6.111 50 40 JKGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 409117459 RFYWOEDSPHPQNK-AUEPDCJTSA-N 464.330 5.545 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccc(C)cc1 409187749 BBVDFQVEUZMNKF-ODLFYWEKSA-N 469.379 5.311 50 40 JKGB O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc(Br)cc1 409370742 CWSDCASOBAUBCM-JVWAILMASA-N 459.343 5.945 50 40 JKGB COc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1085221 QIACYCHXGDIDRS-DHRITJCHSA-N 457.317 5.410 50 40 JKGB N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 1454830 VUUMFONUAPSEOY-VGOFMYFVSA-N 453.354 6.068 50 40 JKGB c1ccc(P(OCCCCOP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 1713524 QHFWJRMCZQYLFV-UHFFFAOYSA-N 458.478 5.896 50 40 JKGB COc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1COc1ccccc1F 2275687 WRUKJIBMJJZLKB-UVHMKAGCSA-N 468.937 6.045 50 40 JKGB N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2368154 CKNBDFIZCZYIQZ-JSIHEXFSSA-N 477.948 5.544 50 40 JKGB Cc1cc(COc2ccc(Cl)cc2C)c(C)c([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1 2748018 OKWREAJIIDAMJZ-KCWPFWIISA-N 483.015 6.438 50 40 JKGB Cc1occc1C(=O)N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2Cl)CC1 3166506 CPPSAVGMLCEKFA-YEKVFKPWSA-N 460.361 5.074 50 40 JKGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)c2C)cc1 4048056 KHXVTHHISSYDFV-QGOAFFKASA-N 450.336 5.411 50 40 JKGB CCOc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccccc5)cc4)CC(=O)N3C2)cc1 12251071 ZMWFTZGQECVNDJ-SANMLTNESA-N 497.620 5.884 50 40 JKGB C[C@H]1C[C@H](N(NC(=O)C(F)(F)F)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 16034596 BAMJKXHZEOGFMC-JTSKRJEESA-N 453.464 5.267 50 40 JKGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 19949641 WFQDHKATLXWANW-YZSQISJMSA-N 490.412 5.038 50 40 JKGB COc1ccc2cc(/C=N/NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)c(Cl)nc2c1 23382879 ABCKNLRVEOLVRE-OKCVXOCRSA-N 484.987 5.219 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl 28216508 ODSOBWYLCIWBMX-PZIWGWIQSA-N 480.848 6.685 50 40 JKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(OC/C=C/Cl)cc2)cc1 33354401 LAVDEMDRGKMXBF-YUBAVMGUSA-N 471.041 7.101 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1O 39575886 NTDDPDIZVUXXQI-WGARJPEWSA-N 476.330 5.142 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OC(C)C 59272339 CNNRKEHLOAAJJK-VGOFMYFVSA-N 483.284 5.809 50 40 JKGB CN(c1ccccc1)c1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 96398845 ZWOGBNJSFHDZNZ-WJDWOHSUSA-N 467.312 6.215 50 40 JKGB CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(-c2ccccc2)cc1 169840204 OXDCRRPMMHYQKU-FGZHOGPDSA-N 471.670 6.394 50 40 JKGB Cc1cc2c(cc1/C=N/NC(=O)c1cccc(Br)c1)[C@@H](C)CC(C)(C)N2C(C)C 223590457 PIPZXFNCXDVUSJ-HSOLMKNUSA-N 456.428 6.022 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(-n3cnnn3)cc2)o1)c1nc(-c2ccc(Cl)cc2)cs1 257173163 FGBQKWCLIYEFIS-BOPFTXTBSA-N 456.918 5.763 50 40 JKGB O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1cccc([N+](=O)[O-])c1 408732263 QFJQWTBDFPIYBS-YQYKVWLJSA-N 486.531 6.483 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc(Br)cc1 408743098 DOBUQWCICIGTQI-FMIVXFBMSA-N 462.130 6.562 50 40 JKGB COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Br 408743618 HFGDKMBJNWXOSU-QPEQYQDCSA-N 450.130 5.074 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)c1 408745279 LBSMKVCYRKOZNU-MTJSOVHGSA-N 476.960 6.180 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc([N+](=O)[O-])cc1 408760539 AKHGXEJTTUSBFO-GZTJUZNOSA-N 465.307 5.311 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(F)cc1 408847045 OSZWVMBKZBCYCK-WKIKZPBSSA-N 497.320 5.686 50 40 JKGB Cc1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)c1 408856221 JNFYJKVEIUBSRP-ZMFRSBBQSA-N 464.363 5.984 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c(OC)c1 408865285 CUDXSPHEDWGUBZ-XNTDXEJSSA-N 457.313 5.494 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Cl)c1OCc1ccccc1Cl 408887599 PGFPZJSCKXOHCP-WKULSOCRSA-N 479.363 6.498 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1cccc(C(F)(F)F)c1 408961434 CFDHPUDOKWOONN-KVSWJAHQSA-N 467.274 6.355 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409042192 WREGFSCWHSXEEN-KIBLKLHPSA-N 467.736 5.900 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Cl)c1OCc1ccc(Cl)cc1 409050398 VIVIXFRHWBTHCL-LRSBSUGWSA-N 475.416 6.248 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409054326 FMAZYBPEBKIMTP-LDADJPATSA-N 491.931 5.007 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OS(=O)(=O)c1ccccc1 409076227 ZZNOYGHFQPEKBJ-RCCKNPSSSA-N 476.510 5.164 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409087371 TXGSATOAYSNWFQ-RIYZIHGNSA-N 491.847 5.898 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C)cc1 409209323 FREXSOLVFZLRTF-MTJSOVHGSA-N 493.357 6.708 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 409247788 NWBPGAMDFMVOLE-FPJJECCMSA-N 495.406 6.755 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(Br)c1OCc1ccc(C#N)cc1 409323398 NZAZUYXOIFECFC-QRVIBDJDSA-N 495.376 7.126 50 40 JKGB N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1453287 KYEYYSIJIWKCKY-XFXZXTDPSA-N 461.783 6.073 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1453748 HSULVBHAOMRRDZ-LQKURTRISA-N 464.481 5.622 50 40 JKGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)NC2=C1C(=O)CCC2 2312291 MPKKHWKIIHZPIO-RUZDIDTESA-N 473.598 5.195 50 40 JKGB COP(=S)(OC)Oc1ccc2c(C)c(Cc3ccc(Cl)c(Cl)c3)c(=O)oc2c1 2565079 ZZMKCHFDZIYUET-UHFFFAOYSA-N 459.287 5.895 50 40 JKGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 8569307 VSRGJCYOPHCZLB-DEOSSOPVSA-N 464.525 5.273 50 40 JKGB CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@H]3[C@@H]4C[C@H]5[C@H](OC(=O)[C@@H]53)[C@@H]4Br)cc2)cc1 9581284 ZPOPXAWDGVHMBH-GCOBIYGJSA-N 484.390 5.286 50 40 JKGB CCOc1cc2c(cc1Br)nc1n2[C@@H](c2ccccc2)[C@H](Br)CS1 9806172 QXCJGZTYLWTZSR-DYVFJYSZSA-N 468.214 5.656 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(C)c3)c2C)cc1 9905646 CLHYRERLFHIYLO-STZFKDTASA-N 461.949 5.778 50 40 JKGB CCOC(=O)/C(C#N)=C/c1cc(Br)ccc1OCCOc1ccc([C@@H](C)CC)cc1 13942281 UGRGUZMJRYUGJK-TYSUYXETSA-N 472.379 5.890 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2 14152191 NLDUMKJXXVXFAX-XSFVSMFZSA-N 462.578 6.047 50 40 JKGB C/C(=N\NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])cc1 20240651 OTJAAHSRPKFJKM-XHLNEMQHSA-N 470.573 5.204 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)COc3ccccc3C)c2C)c(C)c1 20243714 WIGDOGJJWBRWTD-LGJNPRDNSA-N 468.395 5.311 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccccc1C(=O)OC(C)C 20760568 OQDJGEVBMWDNER-VULFUBBASA-N 482.378 5.186 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(/N=N/c3cccc(Br)c3)ccc2O)cc1Cl 23410950 CVTSRVXEJKWQTR-HDARYGDVSA-N 471.742 6.296 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 27019904 SBFQQMZOTFKDDI-UEKTYDJUSA-N 490.607 6.421 50 40 JKGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1cccc2ccccc12 30742873 SLUIMCUZXBQQKM-MSXFZWOLSA-N 485.059 5.879 50 40 JKGB CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 38680379 LRPAYRBKCNDUFX-QHCPKHFHSA-N 478.907 5.705 50 40 JKGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1)c1nc(-c2ccco2)cs1 39842869 CVFCIOBFVBSUSO-GZTJUZNOSA-N 472.482 5.393 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1 59245214 IYIUCESQEFIJMP-CPNJWEJPSA-N 463.331 5.582 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc(F)cc1 59335706 SEUPMBASDPVBLG-HAHDFKILSA-N 456.517 5.996 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCC(=O)c3ccc(C)cc3)N=C3CC(C)(C)CC(O)=C32)cc1 104114256 FSHGOTQWPFBJMJ-VWLOTQADSA-N 472.610 6.525 50 40 JKGB Cc1cccc(COc2ccc(/C=C(/C#N)c3ccccc3F)cc2I)c1 108062828 VSQMNYBFDUPZFH-UNOMPAQXSA-N 469.297 6.382 50 40 JKGB C[C@H]([C@@H]1CCC[C@@H]1P(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1 138089953 IHERDRRKNNMAEF-IUNZSJPTSA-N 478.641 8.824 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1cccc(C(=O)O)c1 408542254 IMRJLNWHHHJXTP-ZDLGFXPLSA-N 495.304 5.411 50 40 JKGB N#C/C(=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1)C(N)=S 408542642 KGAGRVUXVUCCKN-LFYBBSHMSA-N 486.616 5.637 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc([N+](=O)[O-])cc1 408570428 UYJAIZVGZCEDDQ-QFEZKATASA-N 496.614 5.010 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1 408580785 DXYYOYLWNPUBTD-YBFXNURJSA-N 499.202 6.863 50 40 JKGB O=C(NNc1cccc(OCc2ccc(Cl)c(Cl)c2)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408613188 ZQBYUFOKXCWVCL-MRXNPFEDSA-N 488.346 5.208 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3ccccc3O)cc2-c2ccc(-c3ccccc3)cc2)c1 408723990 BTERANGLKZHGBX-AJBULDERSA-N 472.548 5.984 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4C)cc3Cl)o2)cc1 408740540 LKEKIPRLAIXWMT-MWLSYYOVSA-N 489.959 5.948 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 408747517 PBKFAAMEIFTAPE-YBEGLDIGSA-N 499.752 5.964 50 40 JKGB CC1=CC(/C=C(/C#N)C(=O)NCc2ccccc2)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1 408748187 ZSWIFZXUGMVZOK-UNDLXJOSSA-N 460.577 6.392 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 408791642 ADYHJDGGQDOJIE-FYJGNVAPSA-N 457.486 5.427 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C)c1OCc1ccc(Cl)cc1Cl 408856578 QLJSDGBRMLHCEO-RPPGKUMJSA-N 472.328 5.861 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2ccccc2)ccc1OCc1cccc(Cl)c1 408867487 LCIQQSRHKUOIHR-CVKSISIWSA-N 454.979 5.560 50 40 JKGB O=C(N/N=C\c1cccc(OCc2ccc(Cl)cc2)c1)c1cc(Br)ccc1O 408875231 HSLHAWZCEOMYSJ-MSXFZWOLSA-N 459.727 5.151 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408878314 AEVNGMGTYZPPIL-OQLLNIDSSA-N 494.847 5.503 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 408887920 SCLWWFXRWYZBRY-KBKYJPHKSA-N 482.150 6.283 50 40 JKGB Cc1nnc(Sc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2[N+](=O)[O-])s1 408993164 UZNAGVNTPXLNCY-VGOFMYFVSA-N 471.951 5.413 50 40 JKGB COc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)ccc1OCc1ccc(Cl)cc1 409136366 SRKOEWMMFBZSHN-FJEPWZHXSA-N 499.954 5.191 50 40 JKGB COc1ccc(OCCCC(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1 1810843 OVFHZYOADPAGME-LTGZKZEYSA-N 477.944 6.186 50 40 JKGB O=C(O)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 6445782 PFNDLHUUVRPUCP-MEFBHEEYSA-N 498.963 6.471 50 40 JKGB CCOc1ccc(-c2cc(C(=O)N/N=C(\CC)c3ccc(Cl)s3)c3ccccc3n2)cc1 8454693 PXZJOMPCSUKGFH-VFCFBJKWSA-N 463.990 6.560 50 40 JKGB O=C(CSc1cccc2ccccc12)N/N=C/c1ccccc1OCc1cccc2ccccc12 8874941 DGNKFZQKYJDJBV-ZCTHSVRISA-N 476.601 6.814 50 40 JKGB Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)CC(=O)N1 9088675 QQMLQEXPFLNTGW-OAHLLOKOSA-N 490.810 5.122 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc2ccccc2c1 9271947 MHDUHNPCXFJIRH-UQQQWYQISA-N 478.668 5.925 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(Cl)cc1 9323079 FXIQXMZPXISVDF-XKJRVUDJSA-N 497.300 6.364 50 40 JKGB CCOc1cc(Br)c(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)cc1OC 9323479 OFJBULZHTSAUSR-LSHDLFTRSA-N 451.704 5.020 50 40 JKGB O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/C=C/c1ccccc1 9374304 XXNUMWALACSJIR-JOARMNLUSA-N 460.990 5.646 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C\c1ccccc1OCc1ccc(Cl)cc1Cl 12364141 HCCWVHHQSLXNOG-NUJZUDFISA-N 480.351 5.650 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1cccnc1 13617332 DJZWAAGELGGWBS-DICXZTSXSA-N 497.411 5.269 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2ccc(Cl)cc2C)cc1 20206891 RVDBHCKJLFNVIR-UHFFFAOYSA-N 476.042 5.369 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1 20764978 XSBUPHZYQWTBNQ-UZWMFBFFSA-N 474.560 6.735 50 40 JKGB Cc1c(-c2ccc([C@H]3C(C#N)=C(N)Oc4[nH]nc(-c5ccc(Cl)cc5)c43)o2)cccc1[N+](=O)[O-] 22709942 VPDLESNRGFEWIZ-HXUWFJFHSA-N 473.876 5.425 50 40 JKGB CC(/C=C/c1ccccc1F)=N/NC(=O)c1ccc(OCc2ccc(Br)cc2)cc1 33661702 RQXZIMWLGLZOER-GQCKIBKISA-N 467.338 5.986 50 40 JKGB COc1cccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1OC 33850007 BRRBGDHLFSKJHC-NTFVMDSBSA-N 473.529 5.047 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccccc1Cl 59335701 AIDCFOORELHIJH-HAHDFKILSA-N 472.972 6.510 50 40 JKGB COc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(Br)c1OCc1ccccc1 83314658 BHUVFFLGHPPRCH-QFEZKATASA-N 453.336 5.109 50 40 JKGB CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC 110001684 JTUZCGNQBKSQJK-NKFKGCMQSA-N 478.589 6.157 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 408541814 HVAWHAXDLRIMLR-ODLFYWEKSA-N 494.906 5.658 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc(Br)c(Cl)c1 408549846 AFDKBSKAQVZUGW-XKZIYDEJSA-N 461.790 7.727 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(F)cc1 408552113 HJZCNWUDHARXRT-LFIBNONCSA-N 484.314 5.696 50 40 JKGB C=CCOc1c(I)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1OCC 408582119 LXXYDINLYYIPSU-GZTJUZNOSA-N 461.299 5.327 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1Cl 408727240 XYECJWWDNUEFMH-KBKYJPHKSA-N 473.312 5.074 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1Cl 408735757 WZXQZCCHCJBERJ-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 408742497 AMDJTBOFOUOLQN-MHWRWJLKSA-N 489.200 6.709 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)c1 408743421 ABELTRZLTVRETN-MOSHPQCFSA-N 478.390 6.109 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2Br)cc1 408745614 UFXRQAQFPYXGPZ-JAIQZWGSSA-N 495.804 6.844 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccc(Br)cc1 408746305 YHOIDADPBYOIGO-AQTBWJFISA-N 467.750 6.227 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1c(C)cc(C)cc1C 408803570 QPUNKQKEMCQPOX-LPYMAVHISA-N 474.988 6.707 50 40 JKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Br)c1 408803629 RJAYINQLONXYTJ-DEDYPNTBSA-N 477.358 5.891 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc(Cl)cc1 408809787 JCXUTPHQDWZUJM-WQRHYEAKSA-N 485.342 6.656 50 40 JKGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c(C)n1-c1sc2c(c1C#N)CCCC2 408815647 IHSQNUZGOQRMHV-WAGOIBLGSA-N 491.624 5.114 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(C)c1OCc1ccc(F)cc1 408848711 SMMUBCHFJWMPHD-DEDYPNTBSA-N 479.349 6.330 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(C)c1OCc1ccc(Cl)cc1Cl 408849314 WAQBQMAYNHUFJY-UDWIEESQSA-N 451.353 6.735 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3C)c(OC)c2)cc1 408893507 GPFBDGLWHQIVQZ-VULFUBBASA-N 483.362 5.118 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3cc(C(=O)O)ccc3C)c2C)ccc1Br 408904586 LUZFIZDPFDIENM-ROTLSHHCSA-N 483.366 5.327 50 40 JKGB COc1ccc2ccc(OC)c(C=NNC(=O)c3cc(-n4c(C)ccc4C)ccc3Cl)c2c1 409009105 BJPWFHIZEJAWKA-UHFFFAOYSA-N 461.949 5.682 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 409066471 VQORBOLTYXMWQI-QGOAFFKASA-N 450.336 5.411 50 40 JKGB COc1cccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)c1 409263418 KTVVVHDVTKBTTH-WKIKZPBSSA-N 486.355 5.092 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1OC 409315079 NBSLMSXPBCFRPD-DICXZTSXSA-N 497.389 5.508 50 40 JKGB COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1 409376238 WFLOPCRCQBRWIU-ATVHPVEESA-N 496.350 5.565 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)o1 1212116 RSQJDNVGJAYNGS-UKTHLTGXSA-N 468.263 5.172 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)c(OC)c1OC 2637291 XNXZZSPSRNESOL-ZCTHSVRISA-N 496.563 5.722 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCC(=O)c1ccccc1 11853087 BKLJFFFBASQLOB-SRZZPIQSSA-N 496.544 5.873 50 40 JKGB COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)c1 13174374 ZYEUEKQBBJWWNR-HSZRJFAPSA-N 479.989 5.150 50 40 JKGB N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C\c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 13512781 QKHMTTXGMAZSLK-QNLDRXPYSA-N 467.519 5.626 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 20197910 TZOVDRPFAUMLFA-RWPZCVJISA-N 487.383 6.134 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(N3CCCC3)cc2C)c(C(=O)OCC)c1C 33580656 CXMXPPSAMZTSGB-ZHZULCJRSA-N 494.613 5.037 50 40 JKGB C/C(=N/NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1cccc(Br)c1 33675554 NDPKKXLOPYCIEL-MYYYXRDXSA-N 473.823 6.549 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)c1cccc([N+](=O)[O-])c1 35177889 XETVAJOZZKFAKO-ZDLGFXPLSA-N 453.267 6.140 50 40 JKGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1 90444871 JWHFELCALPNIQP-RUZDIDTESA-N 457.599 5.358 50 40 JKGB CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 100839884 PEKLGWURNKNCNF-VBKFSLOCSA-N 454.349 5.726 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccccc1C#N 408604477 JTIFUUDCYINNET-LPYMAVHISA-N 491.551 5.532 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)NCc1ccccc1 408748070 XXESNYZQKKIYPM-IWIPYMOSSA-N 497.392 6.405 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2Br)cc1)C(=O)Nc1cccc2ccccc12 408763566 GDHTXNDHMLBFCC-CAPFRKAQSA-N 497.348 6.367 50 40 JKGB N#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccccc1I 408764942 UJFFJFDBZYKAJY-LGMDPLHJSA-N 466.278 5.629 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(OC)c1OCc1ccc(Cl)cc1 408791898 DZMKGTSBBKBDPM-LFVJCYFKSA-N 486.999 6.764 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)cc1 408792633 BQCYUWHONRCEIO-CIAFOILYSA-N 471.900 5.123 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1Cl 408798175 VAGNXGCGDOFRND-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB O=C(N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1cc2ccccc2o1 408852004 PFPDJSPALQTYQS-ZMFRSBBQSA-N 483.749 6.192 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408855388 CSVMKIVCONCQLY-VCHYOVAHSA-N 495.894 5.911 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1F 408867789 NRJXGBJSFQDKMD-HKOYGPOVSA-N 486.546 7.565 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1Cc1ccccc1F 408882469 NGMDOLIHGWKHLB-XDHOZWIPSA-N 464.924 6.023 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1Cc1ccccc1F 408884574 UNLPNDHKJQRMIR-WOJGMQOQSA-N 469.343 6.668 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Br)cc1)C(=O)Nc1ccccc1Cl 408894865 JMPRIEHSBBMGIY-QGOAFFKASA-N 467.750 6.227 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1OCc1ccccc1 408962082 GIMOSMQBIQQNJP-OKCVXOCRSA-N 468.475 5.785 50 40 JKGB O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cc2cc(Cl)ccc2o1 409016814 ABKLFOKSRZOSJB-MSXFZWOLSA-N 480.820 5.459 50 40 JKGB COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1 409036383 VWJDCLNZXTZXHX-STBIYBPSSA-N 478.577 6.479 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1OCc1cccc(Cl)c1 409068362 SJJLQEUVFDDZNZ-ZVHZXABRSA-N 486.999 6.819 50 40 JKGB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Cl)cc1 409223831 ISMLPXWYDFDJOV-RGVLZGJSSA-N 494.378 5.543 50 40 JKGB O=C(N=C(C(Cl)Cl)N1CCSCC1)Nc1ccccc1Oc1ccc(Cl)cc1Cl 575318932 SFQHNCMXVQVHFS-UHFFFAOYSA-N 493.243 6.569 50 40 JKGB COc1cc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1COc1ccc(F)cc1 648515 FUFJFXLZSLXBAA-DHLKQENFSA-N 454.505 5.007 50 40 JKGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(C(=O)OC)=C(C)N2)cc1 1297879 BJXJMCMHQUNFLW-HSZRJFAPSA-N 482.005 5.143 50 40 JKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)cc3C(=O)c3ccccc3)n2)c(C)c1 1895850 QTWIUJCHXPZSFA-HMMYKYKNSA-N 469.997 7.288 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(Cl)c1OC(=O)c1ccc(OC)cc1 2077012 UDMRZHISDWTPNW-RWPZCVJISA-N 496.947 5.047 50 40 JKGB CCc1ccccc1N/C=C(\C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2268734 VYKWHRORPTWKSD-FOWTUZBSSA-N 478.371 6.218 50 40 JKGB C/C(=N\NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1cccc(NC(=O)c2cccnc2)c1 8456016 SDLHKJWEUHMRBG-XODNFHPESA-N 483.380 6.009 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(Br)c1O 9361148 NONAHAQHLMLNKD-AWNIVKPZSA-N 458.293 5.259 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12 14407895 CFLJBYFFFGLKAQ-OGLMXYFKSA-N 469.497 5.028 50 40 JKGB O=C(N/N=C\c1c(OC(=O)c2ccc(Br)cc2)ccc2ccccc12)c1ccccc1 14921987 VERGQLQICIATGP-YUMHPJSZSA-N 473.326 5.585 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1Cl 20347828 ZIYFHZIVHUGPMN-XMMPIXPASA-N 479.001 5.690 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1 20764974 MEPMUZKNVBHXFG-OGLMXYFKSA-N 469.497 5.490 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1ccc2ccccc2c1 33665587 AOHNHFZPQCPZAX-PKAZHMFMSA-N 490.400 8.399 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccccc1F 59117146 FSEBJVSFOVZJOM-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 59224581 NBPNCXOXIYNPRD-MOSHPQCFSA-N 490.390 6.228 50 40 JKGB C[C@H](I)C[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95677024 BQEKWBVYUIERMQ-IMJSIDKUSA-N 454.017 5.235 50 40 JKGB COc1cc([C@H]2C(C#N)=C(SCc3ccc(C)cc3)N=C3CCCC(O)=C32)cc(OC)c1OC 102868389 HOIZRULIVRGYOK-DEOSSOPVSA-N 476.598 6.224 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(CCCC)cc2)cc1Cl 107561944 VVSSCWHQYRKGOU-CEUNXORHSA-N 477.476 7.839 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1F 107972874 QBAUYBYBKPZYEY-WOJGMQOQSA-N 493.922 5.359 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OCC)c2)c1 408746971 XLXLSBARUXPRNW-HMAPJEAMSA-N 486.524 5.307 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(I)cc3)c2C)cc1C 408780150 TWSLWWMPTHSOPU-MOSHPQCFSA-N 495.364 5.861 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 408804977 IAECGKPFHWXMAR-UDWIEESQSA-N 495.362 6.295 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)cc1 408818268 NKLYFPWWEZWHJC-YSMPRRRNSA-N 478.548 5.659 50 40 JKGB O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(Cl)c(Cl)c1 408839787 AIRBHTLYZBFACM-YCPBAFNGSA-N 473.307 5.905 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1Cc1ccccc1Cl 408864866 AAFPBIRDGFHEOW-KGENOOAVSA-N 479.805 6.801 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(C(=O)O)cc1 408891131 MADSVUFYRZCLRI-GZTJUZNOSA-N 481.291 5.456 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Br)cc1 408892327 AMFVZSIEYJQYDH-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c([N+](=O)[O-])c1 408923778 JVPARPOZLBNKDZ-LDADJPATSA-N 479.334 5.619 50 40 JKGB N#C/C(=C/c1c(OCc2ccccc2C#N)ccc2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 408956480 XHRYZDKMAFYFCG-ONUIUJJFSA-N 496.570 6.038 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccccc1Cl 408997371 OASJPHUVIYTRCH-ZMOGYAJESA-N 490.728 5.288 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCC(C)C 409037907 UQPXLQCZZHKIKR-YKQZZPSBSA-N 467.569 6.099 50 40 JKGB C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 409046806 MLFIWKNWHUMRCV-MDWZMJQESA-N 494.570 5.423 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1cccc([N+](=O)[O-])c1 409241669 LJPXZFSEVLAKAB-JLPGSUDCSA-N 485.540 5.228 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1OC 409318804 ZRAAIKBXFDDGBQ-MIXAMLLLSA-N 474.557 5.310 50 40 JKGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Cl 409376382 AIWLOTFJGDPNLX-DEDYPNTBSA-N 489.959 5.529 50 40 JKGB Cc1oc(-n2c(C)cc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)c2C)c(C#N)c1C 409391254 ILIRDTFBHNBOHS-OCSSWDANSA-N 450.542 5.458 50 40 JKGB Cc1cccc(N2C(N)=C(C#N)[C@@H](c3ccc(Br)s3)C3=C2CC(C)(C)CC3=O)c1 713291 ACFIHWLVFNGDTL-FQEVSTJZSA-N 468.420 5.760 50 40 JKGB Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc(Cl)cc4)o3)s2)cc1 1453247 JFLKEHOKXDTSKM-CPNJWEJPSA-N 459.958 6.501 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)cc1 2109705 UKSCKKPLLYWRFL-AJBULDERSA-N 464.613 6.635 50 40 JKGB O=C(N/N=C/c1cn(-c2cccs2)nc1-c1ccccc1)c1ccccc1Br 3236933 RFLPYUZJKWECKD-YDZHTSKRSA-N 451.349 5.127 50 40 JKGB CC(C)(C)c1ccc(C(=O)NN=C2CCC(=NNC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 6075356 OOBVBXGZEJFLOF-UHFFFAOYSA-N 460.622 5.727 50 40 JKGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 8843132 PDEZSBPEOVMPNS-DHRITJCHSA-N 469.950 5.211 50 40 JKGB Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(Br)cc4)CC(=O)N3C2)cc1C 9693390 QRLJFYGUNMXHMZ-IBGZPJMESA-N 454.393 5.285 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3C)nnc2-c2ccc(C(C)(C)C)cc2)cc1 9762543 GMFCXZQUMYJKME-YKQZZPSBSA-N 497.668 6.091 50 40 JKGB CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Oc2cccc(OC)c2)c1C 13095902 QFXKQGDNJIKTQC-DEDYPNTBSA-N 497.517 6.880 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)c2c(-c3ccccc3)n(C)c3ccccc23)cc1Br 13131591 ZTGBFBNTMUYHIK-XMHGGMMESA-N 471.354 6.406 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCCOc1cccc(OC)c1 13941931 MKBJVSHHJRRSSQ-CJLVFECKSA-N 472.541 5.406 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1)c1cccc2ccccc12 16712255 QBSDRPSGOWSMFY-TWKHWXDSSA-N 492.608 5.423 50 40 JKGB CO[C@H](C(=O)N/N=C/c1c(Br)c(C)n(-c2cccc(C)c2)c1C)c1ccccc1 20243800 HXTRQVFJELWHGD-PWYGXMRTSA-N 454.368 5.003 50 40 JKGB CCOc1ccccc1[C@H]1C(C#N)=C(SCc2ccccc2Cl)NC2=C1C(=O)CCC2 20348077 BLVGUJSPFGNQLL-QHCPKHFHSA-N 450.991 6.101 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccc(C)cc1 20760782 IUNDUPCBDXLQJF-AFUMVMLFSA-N 453.336 5.109 50 40 JKGB Cc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1ccccc1Cl 28217169 NHFQQRSQESLHNR-OKCVXOCRSA-N 486.040 6.701 50 40 JKGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c1 58916822 FCJJGNWBFUSACT-KKMKTNMSSA-N 474.457 6.401 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cc2ccccc2o1 59305180 TYRBRHGWXGMJTC-SSDVNMTOSA-N 454.236 5.127 50 40 JKGB O=C(c1ccc(Br)cc1)C(Br)C(=O)c1ccc(Br)cc1 100780466 WAOUCYDSOFXSQA-UHFFFAOYSA-N 460.947 5.041 50 40 JKGB O=C(N/N=C/[C@@H]1C[C@H]2C[C@H]1[C@@H]1[C@@H]2[C@H]2C[C@H]1[C@@]1(F)C(F)(F)C(F)(F)[C@]21F)c1ccc(Cl)cc1 257346786 MQLAXXGENLFXSE-YQYWHVDOSA-N 476.848 5.295 50 40 JKGB C=CCn1c(C)c(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C#N)c2ccccc21 408547151 SFKWBDPKRHIIOK-LDADJPATSA-N 457.555 5.273 50 40 JKGB Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccccc3)n2)cc1 408725465 PJUFHFXUQSGYRY-NJZRLIGZSA-N 456.549 6.279 50 40 JKGB N#C/C(=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccc(Cl)cc1 408760002 PTNINSLXHDMQLJ-LGMDPLHJSA-N 481.733 5.867 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccccc1 408790954 ZRCXXHFPNIFCDO-WOJGMQOQSA-N 453.325 6.127 50 40 JKGB C[C@@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccccc1 408804685 GOHIHMHHGSMCLB-ALDSOSFCSA-N 493.485 5.507 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 408817785 MCFFEVAMHXEFQD-QJOMJCCJSA-N 495.623 7.490 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OC 408824243 HNRQLRDMSNOKRW-RCCKNPSSSA-N 474.944 6.038 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OC(=O)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 408895686 NVIZPAPKOLBUBU-GZTJUZNOSA-N 492.285 5.122 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OC)c1OCc1cccc2ccccc12 409074112 XYVSZVBOOGHEIN-NLRVBDNBSA-N 474.560 6.702 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1OCc1ccc([N+](=O)[O-])cc1 409080715 MJKBDXAPNSUJMI-STZFKDTASA-N 457.486 5.345 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c1OCc1ccc([N+](=O)[O-])cc1 409084435 WPROWLFWCRYUTF-STZFKDTASA-N 457.486 5.345 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(Sc3ncccn3)o2)c1 409098987 NEAZWKALOPLXRB-NTEUORMPSA-N 455.337 5.146 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1cccc(Cl)c1 409129513 KAIMLOVPDHGQDW-XMMPIXPASA-N 463.965 5.048 50 40 JKGB O=C(O)c1ccc(COc2c(Cl)cc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2Cl)cc1 409190012 UPCNINHXGYZDCQ-KBKYJPHKSA-N 477.731 5.688 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2cccs2)c(C)n1-c1ccc(Br)c2ccccc12 409196782 YVNPVXJZDSEANE-AFUMVMLFSA-N 466.404 5.764 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2Cl)cc1 409226459 TXTOZWDVGXRKAR-WOJGMQOQSA-N 490.903 5.120 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 409264107 KYYCWNXRIDRIAX-MBTHVWNTSA-N 479.964 5.137 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)cc1 409271105 JTDPBWYQKKYNPB-CJLVFECKSA-N 469.541 5.265 50 40 JKGB CCc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)cc2)cc1 409364346 PDMRJBGKMQQMEQ-QQXSKIMKSA-N 451.364 5.283 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(C(=O)OC)o3)c3ccccc23)cc1 409394218 XIHJURGSWJXMLM-RGEXLXHISA-N 453.498 5.177 50 40 JKGB COc1cc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1COc1ccc(F)cc1 648514 FUFJFXLZSLXBAA-RCZVLFRGSA-N 454.505 5.007 50 40 JKGB O=C1C=CC=C/C1=C1/N=C(c2ccccc2OCC(=O)c2ccc(Br)cc2)SS1 1650180 VDUYPDGBSKTJHB-LTGZKZEYSA-N 484.396 5.759 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1C 1801727 DOGIVOVOWQNPPS-HAVVHWLPSA-N 480.568 5.843 50 40 JKGB CCCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)cc1OCC 2109600 ZGHCLNHEKYKCIF-AJBULDERSA-N 497.595 6.252 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccccc1Cl 3254487 MWTNSJXNUKNTCY-ZHZULCJRSA-N 462.933 5.872 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCCC(C)C)c(OC)c2)sc2c1CCCC2 3303972 KEJKAPWFGPQVMX-XMHGGMMESA-N 496.629 5.783 50 40 JKGB Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C/c3ccc[nH]3)cc2)c(Br)c1 3310149 OKCDKESLNZVCFU-BHGWPJFGSA-N 491.183 5.191 50 40 JKGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1nn(Cc2ccc(Cl)cc2)cc1Br 8780699 UGGKHDCVXIYGKD-LIMNOBDPSA-N 486.584 5.418 50 40 JKGB N#Cc1ccc(COc2ccc(Cl)cc2/C=N/NC(=O)Cc2ccc(Br)cc2)cc1 9204260 OKBWKQYYSPGAKY-MZJWZYIUSA-N 482.765 5.246 50 40 JKGB CN(C)P1(N(C)C)=NC(NN(c2ccccc2)c2ccccc2)=C(C#N)C(c2ccccc2)=N1 12558441 TVKDLACWPKNCDZ-UHFFFAOYSA-N 469.533 5.637 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc([C@@H](C)CC)cc1 13940806 NGICOQBISPYQOT-MQMHFVAESA-N 488.584 5.873 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1cccc(C)c1 15226322 ZYPMHARGGVFRGC-HZHRSRAPSA-N 483.568 5.574 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1 15277338 VYHGGPUWZUWKSA-LDADJPATSA-N 458.430 5.458 50 40 JKGB COc1cc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCC(=O)Nc1ccc(C)cc1 18067951 BRHYFWSOLCWPIP-SRZZPIQSSA-N 491.551 5.030 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 19849573 SYDQRWOLEHUYJB-YUMHPJSZSA-N 496.423 5.874 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)SCc3ccccc3)c2C)cc1C 20243851 FBWVCTFYDOHALN-RXJBCPCZSA-N 498.490 6.245 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1cccc(Br)c1 28217445 AEWHHVSBULGPIY-FOKLQQMPSA-N 475.730 5.182 50 40 JKGB O=C(CCCCCCCCC(=O)N/N=C\c1ccc(Cl)cc1)N/N=C\c1ccc(Cl)cc1 31829193 DJCQEMKSGIGGQZ-HJTNQMAYSA-N 475.420 5.715 50 40 JKGB Cc1cccc2c(-c3ccccc3)c(-c3ccccc3)n(CCC(=O)N/N=C\c3ccccc3)c12 32665878 UBVFKSUSFZIKCM-JDCMOKTRSA-N 457.577 6.824 50 40 JKGB COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 59335955 BYMINQFSCMWACE-XFFZJAGNSA-N 473.097 5.152 50 40 JKGB Cc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccccc2)cc1Cl 59383064 HRCHOHMOCBULGE-UHFFFAOYSA-N 462.015 5.060 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1ccccc1O 100864889 BFTIULZJZQSTLB-PKAZHMFMSA-N 492.004 5.234 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1cccc(Br)c1 408529349 JHGQAAAZKGRTSR-WQRHYEAKSA-N 456.181 6.683 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1ccc(C)cc1 408570809 YWGJKLNWSCXXEB-NVMNQCDNSA-N 492.348 6.425 50 40 JKGB CCCOc1c(I)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OCC 408578685 AJBFVKNJJRVDPF-MHWRWJLKSA-N 467.734 6.196 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408581526 XPXNECQWUZMXRT-RIYZIHGNSA-N 486.267 6.675 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4c(Cl)cccc4Cl)cc3)CC2=O)cc1 408601900 CFNVKSWEEWCGMR-KRWDZBQOSA-N 484.383 5.377 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(Br)c(Cl)c1 408678460 ZHGLEEGRTFQJEP-JFLMPSFJSA-N 499.840 5.874 50 40 JKGB CCCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)s1 408730523 HFZDRGUFWLYOMR-WPWMEQJKSA-N 473.602 5.446 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCC#N 408753562 JMEVLYXTJQFJPN-PDGQHHTCSA-N 466.335 5.024 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c1 408792445 BOGQKKZZVLTYDN-XDHOZWIPSA-N 492.329 5.790 50 40 JKGB N#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Br 408797578 RZMUHKUOAULVNH-WUXMJOGZSA-N 495.558 5.313 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1Cl 408799481 ZGURGDXGPGUFJF-RQZCQDPDSA-N 487.770 6.780 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1 408811443 QZQWAGKZQFIGLE-SXZORUHJSA-N 459.933 5.142 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1cccc(F)c1 408812478 NFAXOSDCYUBEQO-IWIPYMOSSA-N 456.517 5.365 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccccc1Cl 408850145 GTDQXMFQEBXYNP-YBFXNURJSA-N 486.768 7.283 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Br)cc3)c(C)c2)cc1 408859004 RZDYHZHUYPEGAD-KGENOOAVSA-N 491.385 6.199 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1Cc1ccccc1Cl 408876440 PDYFRRFMEJFHKH-UDWIEESQSA-N 451.353 6.447 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1cccc(Br)c1 408890386 SHANYOCXPRCOTE-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1 409024723 VOISCDYIRIDXTN-UHBFCERESA-N 468.940 6.891 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(C)C)cc1 409049014 VNHHOZAHRNQNHQ-LZYBPNLTSA-N 492.211 6.101 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c(Cl)c1 409051005 GPWDKJPIKJZFKN-RPPGKUMJSA-N 475.745 5.893 50 40 JKGB N#CC1=C(N)N(c2ccccc2Cl)C2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccnc1 685957 FPMFQHLOIDYFBQ-DFBJGRDBSA-N 452.945 5.433 50 40 JKGB O=C(N/N=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1ccc(F)cc1 2176733 CZJIRZBAGNAKDG-FSJBWODESA-N 452.492 5.259 50 40 JKGB CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3)o2)sc2c1CCCC2 2670724 CUEZSHPSQMTIFS-CAPFRKAQSA-N 488.609 6.698 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCCOc1ccc([C@@H](C)CC)cc1 8842892 USVWPYTVXSWJEO-MXEPNMHZSA-N 495.019 6.474 50 40 JKGB Cn1c(C(=O)N/N=C(/c2ccc(C(F)(F)F)cc2)c2cccc(C(F)(F)F)c2)cc2ccccc21 8916763 CCZFNOZRDMIHKC-JDCMOKTRSA-N 489.419 6.398 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)cc1 9215568 VTIOCHINBSPJNO-SAPNQHFASA-N 486.915 5.003 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)cc1C 9271613 WHXVCDKITZCTHT-OQKWZONESA-N 459.553 6.197 50 40 JKGB CSc1ccc([C@@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)cc1 9693295 KOQVEDONWVUPFX-SFHVURJKSA-N 472.433 5.390 50 40 JKGB C/C(=N\NC(=O)c1ccc(COc2c(Br)cc(C)cc2Br)cc1)C1CC1 12311316 UTUNMEPKPNJBAL-YDZHTSKRSA-N 480.200 5.615 50 40 JKGB C/C(=N\NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccc(Cl)c(Cl)c1 12649400 MKEKUTRRWVNSPQ-JFLMPSFJSA-N 459.402 5.847 50 40 JKGB C[C@H](Oc1ccccc1)C(=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 13098499 MOERVCNHMSPKDJ-DSWROXKMSA-N 470.447 5.083 50 40 JKGB CCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 16693145 RGCJZTVRBPPIMB-GTWSWNCMSA-N 466.581 6.094 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccc(C)cc1 59292071 CLFVZGVSUBUPGF-JJIBRWJFSA-N 476.532 6.312 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1cccc2ccccc12 59333637 YFLGXOGELFOHKB-YBFXNURJSA-N 465.347 5.185 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3cccs3)c(NC(C)=O)s2)ccc1OCc1ccccc1 102990318 JDBAAVZCYBVAQM-MOSHPQCFSA-N 487.606 6.482 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Cl)c3Cl)C3=C(O)CCCC3=N2)c1 104136904 IIQVWAAICDAPMM-JOCHJYFZSA-N 498.435 6.943 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1cccc([N+](=O)[O-])c1 107648322 WKQWHAFHTIYODY-STBIYBPSSA-N 499.523 5.498 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)c(Br)c1O 408543777 SYBMNEYZPKTIGO-QPEQYQDCSA-N 467.113 5.078 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1)Sc1nc2ccccc2[nH]1 408598658 HPZCRUFBQURGDR-YBFXNURJSA-N 452.366 7.105 50 40 JKGB CCOc1ccc(CC(=O)N/N=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1 408712075 YKAYWNNVJIUKSJ-QQXSKIMKSA-N 467.363 5.120 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)c1 408744267 JXSHNEXZPUKSGP-GRSHGNNSSA-N 481.335 6.125 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1cccc(I)c1 408758204 HMIKJWPTSIBJPS-XDHOZWIPSA-N 480.305 5.416 50 40 JKGB N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)C(=O)Nc1ccccc1 408762859 CELVTSVNWJCEQH-CJLVFECKSA-N 454.507 5.153 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1 408790097 NOTFUAKENXSUMG-FYJGNVAPSA-N 460.917 5.725 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccccc1Cl 408795301 UZNFHTBNMIHOMR-WOJGMQOQSA-N 483.351 6.222 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 408817813 WUWGYBAHVXLUHW-NHDPSOOVSA-N 481.379 6.113 50 40 JKGB N#C/C(=C\c1c(Cc2ccccc2F)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 408867437 KUHTYTTXPAVLQO-RCCKNPSSSA-N 474.457 7.134 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccccc1OCc1cccc2ccccc12 408883212 RYRBTVFASALGKH-LQKURTRISA-N 467.550 5.802 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OC(=O)c1ccccc1 408883796 WSIGYTMPFPVIJN-DHRITJCHSA-N 487.737 5.094 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccccc1 408886398 GTKZJQLIGYBMMZ-UVHMKAGCSA-N 477.775 6.388 50 40 JKGB O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1cc(Br)cc(Br)c1O 408995628 KIWTZUUNQZZZGM-UFFVCSGVSA-N 496.180 5.425 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1F)C(=O)NCc1ccccc1 409049085 WCHQETQAQUCVBT-VXLYETTFSA-N 455.316 5.935 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2o1 409054814 GTSOYKHNHXHKKE-CXUHLZMHSA-N 466.280 6.686 50 40 JKGB O=C(N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccc(Cl)cc1Cl 409179843 NWQDIXFAFVBEGZ-FJEPWZHXSA-N 472.375 6.914 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(I)cc1 409371290 HCAVVEPBVHOMQZ-UYRXBGFRSA-N 471.725 6.588 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)C(c1ccccc1)c1ccccc1 409391245 IHIKRXADIZLPQH-BIZUNTBRSA-N 477.995 6.625 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 715913 FMCDLYKJROJGOC-XMMPIXPASA-N 491.588 5.271 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 1096881 JYUHNYDZTLKEFK-XSFVSMFZSA-N 497.486 5.874 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)cc1 2425575 LVYSOEDYTGRXDV-NBVRZTHBSA-N 470.916 5.303 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cccc(OC(=O)/C=C/c2ccco2)c1 3034195 XDDVAPIRNLITKX-ASPGNHBPSA-N 466.493 5.095 50 40 JKGB C/C(=N\NC(=O)c1sc2cc(Br)ccc2c1Cl)c1ccc([N+](=O)[O-])cc1 8454734 BQSZPFGKFWNVAS-AWQFTUOYSA-N 452.717 5.379 50 40 JKGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1cccc(Br)c1 8780990 KNWWKYUKBVLKBO-JYRVWZFOSA-N 471.694 5.606 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Br)cc3C)n2)cc1OC 9445816 ACPITZSASBZUAH-RVDMUPIBSA-N 456.365 5.875 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1cccs1 9836775 CARBRHRJGUQSBV-PCLIKHOPSA-N 482.034 5.590 50 40 JKGB CCCCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1Br 12137226 ATYHMVCLRSXNHB-MRXNPFEDSA-N 485.378 5.010 50 40 JKGB O=C(COc1cc(F)ccc1[N+](=O)[O-])N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 13109994 UQRVTCLFFGEKGY-UVHMKAGCSA-N 461.371 5.199 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)c(C)n1-c1ccccc1Cl 28216116 ZIQCPZJYIDTGCG-BRJLIKDPSA-N 490.854 5.894 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc3ccccc23)cc1 59335801 NEPUPTCINAARFV-HAHDFKILSA-N 497.392 7.035 50 40 JKGB C[C@H]1/C(=N/NC(N)=O)[C@H](O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 104093065 VNKDJJBPRDVEIM-ITSBZDPVSA-N 499.784 6.883 50 40 JKGB Cc1c(Br)cc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1Br 201108390 UARIJHBCXNNJLR-BHGWPJFGSA-N 475.184 5.235 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)c1ccc(C(=O)O)cc1 408540812 BWFIYONVZYZGJX-WQRHYEAKSA-N 495.304 5.368 50 40 JKGB Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(OCc2ccccc2)cc1 408566531 AISOXGJGLCVGQG-HAHDFKILSA-N 462.528 6.753 50 40 JKGB CCOc1c(I)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OC 408580671 QNZFFZGJOUEBPE-WUXMJOGZSA-N 474.125 6.069 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408608251 GXXDHPGIVBDGTK-RPPGKUMJSA-N 476.747 5.315 50 40 JKGB C[C@H]1Cc2cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)ccc2O1 408710820 MVFAPTMUJQRUES-IZGWQLHLSA-N 454.555 5.641 50 40 JKGB CCOc1ccc(N2Cc3ccc(C(=O)N/N=C/c4ccc(Cl)cc4Cl)cc3C2)cc1 408733139 DZYFKSVJUMERAC-UVHMKAGCSA-N 454.357 5.676 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)c3cccc(C(F)(F)F)c3)c2C)sc2c1CCCC2 408742554 PSVMPTPLCWPWCF-DEDYPNTBSA-N 498.570 7.294 50 40 JKGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Cl 408763393 NROFTXVBVKXJAJ-QPEQYQDCSA-N 450.119 5.314 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1C 408789505 LQNOFWVYYYXRGB-ULJHMMPZSA-N 454.574 5.093 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OCc2ccc(Br)cc2)c1 408798328 HSTAOBYBJRYVEU-FYJGNVAPSA-N 491.385 6.199 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 408800506 NEQVJCMNDIJHAX-DEDYPNTBSA-N 495.804 6.790 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccccc1 408801433 SYFGRMRIQNFNNX-ALDSOSFCSA-N 474.391 6.781 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408803537 QFRKKHSHKQXPTI-SFQUDFHCSA-N 466.324 5.557 50 40 JKGB O=C(N/N=C\c1cc(Cl)c(O)c(Br)c1)c1cc2cc(Br)ccc2o1 408852750 HYVNMOUEKNGWTA-SCDVKCJHSA-N 472.520 5.081 50 40 JKGB N#C/C(=C\c1c(Cc2ccccc2Br)ccc2ccccc12)C(=O)Nc1ccccc1F 408870799 WVIQZRAYGHMRJG-LTGZKZEYSA-N 485.356 6.878 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Br)ccc3ccccc23)c1 408885567 CBBLHIWYLKQAOF-CJLVFECKSA-N 497.392 7.035 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408886881 MUMOHNWHQSPBSP-XMHGGMMESA-N 497.894 6.166 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OC(=O)c3cccc4ccccc34)c2)cc1 408899420 PBKLBCSSDFYNDW-HAVVHWLPSA-N 490.515 5.781 50 40 JKGB O=C(N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc(Cl)cc1Cl 408921583 BFEPPJHKYUDRRK-IPPBACCNSA-N 483.782 7.143 50 40 JKGB COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408958637 ZQTXPWMCGIJIMO-JYAVRDJASA-N 495.834 6.511 50 40 JKGB CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)Nc4ccc(C)c(C)c4)o3)sc2c1 408993698 WTNRVEXGLSJSNW-SFQUDFHCSA-N 475.595 6.602 50 40 JKGB C=CCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)c2cccc(C)c21 409032861 DRRYBGJTFZFDLG-MZFJOGFUSA-N 488.591 6.432 50 40 JKGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 409144956 HHSDSXANXHBAQS-ROCQKPIASA-N 460.430 6.340 50 40 JKGB COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 409363387 LOIAKAHVBWWHAH-KVSWJAHQSA-N 492.790 5.797 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc(Br)ccc1OCc1ccccc1 860575 OWEYFZQGLUPLIM-QFIPXVFZSA-N 479.374 5.479 50 40 JKGB Oc1ccc2ccccc2c1/C=N/CCSSCC/N=C/c1c(O)ccc2ccccc12 2272707 MTAGTEICODASJG-XUIWWLCJSA-N 460.624 6.324 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)sc(C)c1C 2383458 DLVAAQLDXCILSY-JCMHNJIXSA-N 491.682 7.689 50 40 JKGB O=C(Oc1ccc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1)c1cccc(F)c1 3087368 SYMLVSNYFYCVQZ-AXMMYCDFSA-N 478.523 5.501 50 40 JKGB COc1ccc(/C(C)=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1 8817327 IIIOZCRFRVKPNI-XKZIYDEJSA-N 479.052 5.125 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(Cl)cc1 9056811 GTESQQVDCNIUKV-AQTBWJFISA-N 467.750 6.227 50 40 JKGB CC[C@H]1CCc2sc(C(=O)N/N=C(\C)c3ccc(OC)c(CSc4ncccn4)c3)cc2C1 13097305 OLJBBEUJGARQEM-SSGLAOATSA-N 480.659 5.508 50 40 JKGB N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 13598762 RXJIQXNHXXVKOX-JSIHEXFSSA-N 459.958 5.405 50 40 JKGB CCCCc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 13688002 PZVDMOVVQFBYFB-OAUQLRMZSA-N 481.621 6.094 50 40 JKGB Cc1cc2c3c(c1)[C@@]1(C(=O)N3C3(CCCCCC3)CC2(C)C)C(C#N)=C(N)OC2=C1C(=O)CCC2 14162361 FXXIEUHNLPMOGU-GDLZYMKVSA-N 471.601 5.085 50 40 JKGB O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1Br)c1cccs1 16526323 QVIFOEVRPGAQMZ-AFUMVMLFSA-N 465.372 6.007 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc(Cl)cc1 16712278 AEBZSPGVNXBVGS-ONUIUJJFSA-N 461.978 5.220 50 40 JKGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccc(Cl)c(Cl)c1 16712378 PAVCLDAYWNJUDH-RWPZCVJISA-N 497.407 5.325 50 40 JKGB Cc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccccc2)c(C)c1 19948528 DOTKWQUPQYZATO-UHFFFAOYSA-N 497.705 6.276 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c(C)n1-c1cccc(Br)c1 28216756 MGTDFJHCCKNSQE-VBYICHLGSA-N 470.436 5.629 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)cc1 33668332 KQDQXSJEHDCVDS-VULFUBBASA-N 490.541 5.158 50 40 JKGB O=C(N/N=C/c1c(F)cccc1Cl)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 58919224 VOZHOZUHUPBNKH-XGVLDKRDSA-N 467.953 5.017 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OCc1cccc2ccccc12 59921093 JNPDEHNKFFRACV-RDRPBHBLSA-N 454.526 5.347 50 40 JKGB COc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)ccc1OCc1ccccc1Cl 105793435 PWEBCCPIERBLDL-FJEPWZHXSA-N 499.954 5.191 50 40 JKGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 107544252 LKUCATXSNCFHQX-KKMKTNMSSA-N 464.308 5.517 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(C)cc1 208471353 XUXJPAPEOCYCMO-IWIPYMOSSA-N 465.553 5.330 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1OC 408581140 GPAWCNQJKOHGRK-OEAKJJBVSA-N 455.941 7.154 50 40 JKGB CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cccs3)c2-c2ccccc2)cc1 408741879 LSGNFMXEQYVSHM-NJZRLIGZSA-N 491.616 7.035 50 40 JKGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Br 408745480 SPZSPYXIWGDPBT-UVTDQMKNSA-N 462.141 5.322 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(C)c2)cc1 408798021 DLBAMHIVISOVIJ-FYJGNVAPSA-N 460.917 5.560 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1 408803125 LLRBRCDMVIABOG-UDWIEESQSA-N 476.916 5.260 50 40 JKGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 408827024 FADPXXVYROIDCC-VELKRQBGSA-N 483.515 5.244 50 40 JKGB CC(C)(C)c1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1 408839252 PNDZMJKIVYJMAO-MUFRIFMGSA-N 489.044 7.269 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)c(Br)c2)cc1 408866303 DWUZJCNZRWKLIO-ZVHZXABRSA-N 473.414 6.765 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 408867594 KQJPCZBWMSRUNB-WOJGMQOQSA-N 475.297 7.149 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Cc1cccc(F)c1)C(=O)Nc1ccc(O)cc1 408872995 QLHYJPMYFBBXMY-LDADJPATSA-N 451.295 5.430 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(C)cc1 408891023 KBFCYRTZGDNCKK-RGVLZGJSSA-N 476.916 5.480 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 408895039 KFGMYRLHYGSHHU-UVHMKAGCSA-N 477.775 6.388 50 40 JKGB CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)Nc4cc(C)cc(C)c4)o3)sc2c1 408991978 PKVOCOAADABEHS-SFQUDFHCSA-N 475.595 6.602 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1OCc1ccccc1F 409067055 NPNNJKRIIISKAS-XQNSMLJCSA-N 486.543 6.086 50 40 JKGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 409075846 YMPPNNSDGDJUSC-ZMOGYAJESA-N 451.891 5.910 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)CC2=O)cc1 409264744 PVNPHVWUNBZNLM-DXJPSDTISA-N 496.394 5.384 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2Cl)cc1OC 409321727 JBQNFVMPFIPXCH-MBTHVWNTSA-N 485.367 5.910 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1OCC 409321942 JYXANSIIWPRUFB-QRQIAZFYSA-N 464.949 5.646 50 40 JKGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 409366432 VAAOSPJOSRTUTB-OCSSWDANSA-N 486.955 5.536 50 40 JKGB Cc1ccc(S(=O)(=O)N[C@H](c2ccc(F)cc2)P(=O)(c2ccccc2)c2ccccc2)cc1 3177664 HEXVKORREFWBCD-SANMLTNESA-N 479.513 5.125 50 40 JKGB CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccc2ccccc2c1 3663565 WKLOFJUOJYCTDG-PSZYXBCASA-N 461.359 6.063 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccccc2)c(Br)cc1OCc1ccccc1Cl 4196270 DSQFFVDLIGTOGN-VULFUBBASA-N 487.781 5.383 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)C(C#N)=C(SCc2ccc(F)cc2)N1 6137130 FPGSMHBIPBSDPR-HSZRJFAPSA-N 461.587 6.155 50 40 JKGB CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccccc3I)n2)cc1 6481649 UYPHBTDDSQJUCE-CPNJWEJPSA-N 470.379 6.821 50 40 JKGB CCOc1ccccc1N1CSC2=C(C#N)[C@H](c3c(OC)ccc4ccccc34)CC(=O)N2C1 6578034 KWOIAHOMVVAFQW-HXUWFJFHSA-N 471.582 5.467 50 40 JKGB aggregator C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(OC)c1 8926983 HAPYUPCCYWBXOG-ZDSZAHSWSA-N 494.547 5.102 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1ccc(Cl)cc1Cl 9292545 DZHIMZFMTSNFOD-JOCHJYFZSA-N 489.362 6.181 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cc([N+](=O)[O-])ccc1Cl)C(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])s1 12402292 UQBDCHYNOTUHAA-IBGZPJMESA-N 499.936 5.159 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)ccc1OCc1cccc(Cl)c1 12556030 JBMQKTQYBXMVEA-RQZCQDPDSA-N 479.876 5.087 50 40 JKGB Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3cc4ccccc4cc3O)c2C)c1 20243892 PDXDMGULMPMHDK-MZJWZYIUSA-N 476.374 5.788 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Cl 33931898 ZSLBAAKFNCBEMA-HMMYKYKNSA-N 479.971 6.922 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(Cl)cc1 35147213 LRGZDVZRQLEOKY-ODLFYWEKSA-N 462.889 5.171 50 40 JKGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 50954819 BEJJLQIPWHGNGL-DHRITJCHSA-N 495.402 5.147 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1F 59920960 WCPSWJILSXQMGL-IPPBACCNSA-N 460.427 5.586 50 40 JKGB CC(C)=C[C@H](O)C/C(C)=C/CC/C(C)=C/CC[C@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@@]1(C)O 104232849 CMKAMRUVQONAPO-CQGMFVFJSA-N 474.726 6.612 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 207049984 VMCRDENMVWLCGL-YBFXNURJSA-N 492.329 5.790 50 40 JKGB Cc1ccc(/C(C#N)=C/c2cc(Br)c(OCC(=O)O)c(Br)c2)cc1 209404910 GVKGIFGVTNXCAS-MKMNVTDBSA-N 451.114 5.048 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(OC)c1OCc1ccccc1 408545051 YTZSMPYLGPCIRO-UCQKPKSFSA-N 468.509 5.247 50 40 JKGB COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CSCc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 408751548 XCISGSDJEUVORQ-VWABVVPWSA-N 497.664 6.295 50 40 JKGB COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 408794480 IPHJMWSYXONZHJ-NTUHNPAUSA-N 450.130 5.074 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(OCc2ccc(Cl)cc2)c1 408802955 JONSDPIIECHZGK-XDHOZWIPSA-N 467.352 6.435 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(Br)cc4)cc3)cs2)cc1 408848932 XHGYWIPDSOSXQJ-VULFUBBASA-N 491.414 6.389 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(Br)c2)c(C)c1 408873938 XNOSYRYFMWOMBN-CIAFOILYSA-N 463.350 6.342 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1Cc1ccccc1Cl 408879760 FIVGIWQLVCTQGZ-VXLYETTFSA-N 499.825 7.490 50 40 JKGB Cc1ccc(-n2c(-c3ccccc3)cc(/C=C(/C#N)C(=O)NC3CCCCC3)c2-c2ccccc2)cc1 408983548 LIADLIAEFOOEKZ-HFTWOUSFSA-N 485.631 7.476 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccccc1 409188592 FFGGZFPXKWKHNA-WQRHYEAKSA-N 455.352 5.002 50 40 JKGB Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3C(=O)OC(C)C)o2)cc1C 409192066 UGNFICGRHHNEPC-XODNFHPESA-N 467.953 5.344 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C 409255373 HMQWTKVKAWXNFW-YBFXNURJSA-N 477.904 5.647 50 40 JKGB COc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 409375595 MVBZFXUDKFWNAB-LDADJPATSA-N 495.457 5.277 50 40 JKGB C[C@@H](Br)[C@H](OC(=O)c1ccccc1Cl)c1cc2c(cc1Br)OCO2 1614640 OYRYQINIKOPUTO-ABKXIKBNSA-N 476.548 5.513 50 40 JKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1OC 1906142 WNJBWJFTLUIKSV-XDHOZWIPSA-N 465.550 5.606 50 40 JKGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1scc(-c2ccc(OC)cc2)c1C(=O)OCC 1932475 APLROMMNYXLSAO-HMMYKYKNSA-N 490.581 5.935 50 40 JKGB O=P(O[C@@H](c1ccccc1)C(Cl)(Cl)C(F)(F)F)(c1ccccc1)c1ccccc1 3177020 HFACVJPUIZAHIO-IBGZPJMESA-N 459.231 6.410 50 40 JKGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCCCCCCC1)c1ccc(Oc2ccccc2)cc1 8826727 JCIROKNKKXOAFK-UHFFFAOYSA-N 499.677 6.022 50 40 JKGB CCCCCCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2cc3ccccc3oc2=O)cs1 9065492 JCQXVPLZYCLGHU-LVZFUZTISA-N 499.592 6.630 50 40 JKGB CC(=O)c1cccc(NC(=O)Cn2c(C)c(/C=C(\C#N)c3nc4ccccc4[nH]3)c3ccccc32)c1 9187532 PKRMDZWDLLTGNW-RCCKNPSSSA-N 473.536 5.732 50 40 JKGB N#CC(C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12)=C1Nc2ccccc2N1 9884754 UQYBPKMLCWWWPT-UHFFFAOYSA-N 453.502 5.370 50 40 JKGB COc1cccc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c1OCc1c(F)cccc1Cl 32561918 RKVIJFQAFPQLLR-PDGQHHTCSA-N 492.355 6.058 50 40 JKGB O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1cc2cc(Br)ccc2o1 33305986 XAOLUGSOPSMAIK-MYKKPKGFSA-N 481.262 5.055 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1ccccc1F 59117144 LKFUAWUVHFUFBN-BOPFTXTBSA-N 469.285 5.852 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1 59336472 FZIFGWUJLDZHDB-ZHZULCJRSA-N 497.809 7.500 50 40 JKGB Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N/N=C3/CCSc4ccc(F)cc43)cc2)c1 96698192 HGMXEDUVFYPSHT-OLFWJLLRSA-N 462.590 6.466 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1Br 408581588 JEPLEHIUYQTMFT-VGOFMYFVSA-N 467.157 5.692 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408744815 NEAHSPXMFUBDGT-JAIQZWGSSA-N 476.916 5.480 50 40 JKGB CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 408759883 NJPQGBPQDVNSCR-KPKJPENVSA-N 454.107 5.227 50 40 JKGB CCOc1c(Br)cc(/C=N/NC(=O)c2cccc3ccccc23)cc1Br 408765225 UPXJEHKJDIEFNM-FSJBWODESA-N 476.168 5.527 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1 408788646 FBUSJPDILQVFLU-JJIBRWJFSA-N 462.505 5.751 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 408807387 CFTWSQPLONYXRN-KGENOOAVSA-N 497.938 6.835 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)c2ccc(Cl)cc2)c1Cl 408820358 XDKYTGTXFJZIGZ-SDNWHVSQSA-N 461.732 7.224 50 40 JKGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408837100 YVTYJTIAZDIASW-DEDYPNTBSA-N 481.379 6.905 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/NC(=O)c3cccc(Cl)c3)cc2Cl)cc1 408885871 GEYSKQWXOLOGPJ-BRJLIKDPSA-N 497.787 5.487 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 408885960 BWOCAHHMKNZIIM-CPNJWEJPSA-N 496.972 5.361 50 40 JKGB O=C(N/N=C/c1c(Cl)cccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 409005383 IFQSVLCYUYMSGH-OPEKNORGSA-N 473.187 5.303 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1ccc(N(C)C)cc1 409034079 NCKSGVYRDDUCSB-RGXNXFOYSA-N 487.607 6.139 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Br 409044456 CKNOXCGCIMMIKH-MDWZMJQESA-N 457.125 5.164 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 409216140 ICQZIFBGMQRIIP-ZMOGYAJESA-N 455.923 5.070 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1 409230369 CIDBJMOZQXBLMR-MWLSYYOVSA-N 491.360 6.013 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)cc2)cc1OCC 409318308 VLMJRMYKLWOBFN-QRQIAZFYSA-N 450.510 5.356 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccc(I)cc1 409369012 XBYZQZMMHMFEFF-UYRXBGFRSA-N 471.725 6.588 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(OCc5ccccc5)cc4)c3C)[nH]c2c1 409391505 JKETXDJDICNWMS-JLPGSUDCSA-N 474.564 6.622 50 40 JKGB CCOC1(OCC)OC(c2ccccc2)=C(C#N)[C@@H](/C=C/c2ccccc2)C1(OCC)OCC 1565236 ICXWWOOXSACVDA-UCDYPZRHSA-N 463.574 5.777 50 40 JKGB BrCc1c(CBr)c(Br)c2ccccc2c1Br 1621372 PNCDUPZREUEYGY-UHFFFAOYSA-N 471.812 6.155 50 40 JKGB COc1ccc(N/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c(OC)c1 2287584 VLCXWWGEQGZRAC-VKAVYKQESA-N 481.533 6.063 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)NCc1ccccc1 3765066 OUDRDTLEIJGZPR-XQNSMLJCSA-N 497.392 6.405 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(F)cc1 8812841 LFLTWGALQKPRNJ-RPPGKUMJSA-N 491.744 5.593 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OCc1cccc2ccccc12 9057333 VBPOQDZPFVMKEV-HZHRSRAPSA-N 493.519 6.190 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1cccs1 9934547 JKQMQYBTVITEBZ-AFUMVMLFSA-N 465.372 6.007 50 40 JKGB COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C(C(C)=O)=C(C)N2)cc1 12250206 RPNWIEHVMHAXAE-HSZRJFAPSA-N 467.978 5.005 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)c(C)n1-c1ccc(Cl)c(Cl)c1 28216001 LOIQTMMDQKDXLS-KBKYJPHKSA-N 480.848 6.438 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 34721538 GXRVHRIARLIZNP-VYYCAZPPSA-N 492.919 5.592 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OC(C)=O 59117392 SBXAOTIQFNPODE-XGICHPGQSA-N 484.133 5.235 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCC 59281935 FSLTUQOLVUQVLG-OQLLNIDSSA-N 463.759 5.754 50 40 JKGB O=C(OCCCCCl)[C@@H]1CC[C@@H]2[C@H](C1)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 100929345 QNGXUOGPVMCDDM-TZDNBKRZSA-N 489.481 6.427 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 108993257 ZKXVLKMATJEQQE-UXHLAJHPSA-N 453.586 6.317 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@@H]1[C@@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]12 170621501 UYDDPTCNFUMGFE-VKONIRKNSA-N 485.562 6.572 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 209279750 AISKSICVEPGPSB-QNGOZBTKSA-N 476.960 6.262 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1cccc([N+](=O)[O-])c1 408549909 BJRADMVOWVMBLK-WOJGMQOQSA-N 471.542 5.360 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\C2=C(C)[C@H](c3ccc(OCc4ccccc4)cc3)C(C)=C2)cc1 408744401 LBJRMZUCGLKWSU-CUJRCQHQSA-N 490.603 7.113 50 40 JKGB N#C/C(=C/c1ccc2c3c(cccc13)CC2)C(=O)Nc1ccc(I)cc1 408761729 LDHFFRDKOQFHJK-ATVHPVEESA-N 450.279 5.089 50 40 JKGB CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br 408762287 JXPWILHFHMEVQU-AWQFTUOYSA-N 460.553 5.028 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)C(=O)N1CCN(c2ccccc2)CC1 408779807 KYBYYNOQHGDVRB-MEFGMAGPSA-N 473.576 5.675 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1OC 408792250 AAUGHLMKKGFHPB-XDHOZWIPSA-N 493.357 5.591 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc2ccccc2c1)C(=O)Nc1ccc(Br)cc1 408799554 ZRYIZJYBEFYHFG-XQNSMLJCSA-N 483.365 6.727 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc([N+](=O)[O-])c2)c1 408801511 UHEWRCSJYBWFBA-UDWIEESQSA-N 461.905 5.990 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(C)c2)c(OC)cc1Cl 408828836 OCKGANUMCLZXBL-VXLYETTFSA-N 497.378 6.444 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(OCC)c2)cc1 408866514 HTEKZTPWYUOHGA-PXLXIMEGSA-N 460.961 6.274 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)ccc1OCc1ccc(F)cc1 408877724 YCJIULDWQCHDJL-LPYMAVHISA-N 490.531 5.044 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(OCc2ccccc2Br)c1 408887587 SBYBSICAFZRHJP-LDADJPATSA-N 481.321 5.721 50 40 JKGB COc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc2)cc1 408926278 WROOYXLYCDMJPI-HEHNFIMWSA-N 484.533 5.162 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccccc1Cl 408941375 WKNOPHUTDYPCNX-YVLHZVERSA-N 457.744 6.771 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccccc2C#N)c2ccccc12 408984147 PVBYXYDPFNSABR-HYARGMPZSA-N 464.956 6.377 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Br)c1)c1ccccc1 409084681 QAGKUYSKLUADGQ-MHWRWJLKSA-N 466.247 6.122 50 40 JKGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1)S(C)(=O)=O 409136529 XDISGWSNVKZZCM-VULFUBBASA-N 490.412 5.032 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl 409230222 CNFUGUSCILAKOI-MUXKCCDJSA-N 475.347 5.803 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1OCC 409315586 WBPYIJDAZHHLCE-YKQZZPSBSA-N 494.563 5.755 50 40 JKGB O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccn(Cc2ccc(Br)cc2)n1 1089329 CUARFAJOJVKBID-WGOQTCKBSA-N 475.346 5.250 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3Cl)n2-c2ccc(Cl)cc2)cc1 1837567 UBUCAXHVLKKKFL-MZJWZYIUSA-N 496.423 5.792 50 40 JKGB CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1OC 1905883 FLNRIIFIERPCNE-DEDYPNTBSA-N 496.032 6.511 50 40 JKGB N#CC1=C(SCC(=O)Nc2cccc3ccccc23)NC(=O)C[C@@H]1c1ccc(Cl)cc1Cl 2309862 ZWBGVGQKJWIOMK-GOSISDBHSA-N 482.392 5.857 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)c1OC 2375492 GNJPFOJAXDOFAA-AJBULDERSA-N 493.563 5.238 50 40 JKGB CC1(C)C(c2ccccc2)=NN(c2ccc(/C=N/NC(=O)c3ccccc3O)cc2)[C@H]1c1ccccc1 6232697 MFDLIOXRPCNOGU-AOYMVWLXSA-N 488.591 6.148 50 40 JKGB CC(C)c1ccc(N/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 9315919 COUIVWWPRPGPJA-HMMYKYKNSA-N 463.562 7.170 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)sc(C(C)=O)c1C 9459417 MROIFDSLBMGLLA-GDNBJRDFSA-N 482.543 5.444 50 40 JKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 10058854 AWXLAVMRLGAQBR-MMDHUZEPSA-N 455.352 5.752 50 40 JKGB CCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccccc5)cc4)CC(=O)N3C2)cc1 12251052 SDURVMNSDHGVBJ-AREMUKBSSA-N 481.621 6.047 50 40 JKGB CCn1c2ccccc2c2cc(/C=C(\C#N)S(=O)(=O)c3ccc(Br)cc3)ccc21 13149155 GEOSNYNYBPJSDG-CPNJWEJPSA-N 465.372 5.915 50 40 JKGB Cc1cc(/C=N\NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1 13546389 NRMHSMMQHMGOSL-FMCGGJTJSA-N 487.379 5.007 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12 15228937 GWUDYXQAMRVSLA-OHUYPAJKSA-N 484.559 5.920 50 40 JKGB COc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 33633487 CCJILEVLRSKRDM-QGOAFFKASA-N 495.457 5.277 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1cc2cc([N+](=O)[O-])ccc2s1 35317762 DUTPQGCHMQRWNH-ZMOGYAJESA-N 476.470 5.061 50 40 JKGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 59101668 HZMQXXISQVFCHT-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1C 59245252 YIAZKKOJSMAJRI-UDWIEESQSA-N 495.804 6.844 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2F)cc1 59536377 VPCSRQKRQQOWBD-XDHOZWIPSA-N 465.322 6.021 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(SCc3ccccc3)N=C3CC(C)(C)CC(O)=C32)cc(OC)c1OC 102512384 CZIOVWZQUALWJO-XMMPIXPASA-N 490.625 6.551 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)ccc1OCc1ccc2ccccc2c1 107756413 QSIPSIWTSNTRRH-MYYYXRDXSA-N 459.549 7.066 50 40 JKGB C=CCOc1c(Cl)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br 208456718 OPKSFHMTADUBAA-YUMHPJSZSA-N 499.792 5.054 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(I)cc1 408585762 IAOIDJLRUUUNIW-YVLHZVERSA-N 493.175 7.070 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Br)cc3)c2C)cc1C 408741179 OGWUBTAEPWMKFR-DHRITJCHSA-N 454.368 5.003 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OCc1ccc(C)cc1 408890904 IGMBOMKUDAEZDY-DEDYPNTBSA-N 481.379 6.825 50 40 JKGB Cc1ccc(COc2ccc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)cc2)cc1 408905582 ZNAVQXHRHFGEJR-QFEZKATASA-N 452.352 5.801 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccc(Br)cc1 408924573 MZLSSFCOHDTHFU-RCCKNPSSSA-N 470.370 6.556 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccccc1 408965693 XEGUQFWNWMTVCG-LGJNPRDNSA-N 479.876 5.346 50 40 JKGB O=C(N/N=C/c1cc(Br)c(Sc2ccccc2)o1)c1ccc(Cl)c(Cl)c1 408997846 OHZIVRMCNJTCJO-LSHDLFTRSA-N 470.175 6.264 50 40 JKGB CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1nc2ccccc2[nH]1 409047523 OFGXHCAIPTYKBO-MDWZMJQESA-N 461.157 5.941 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccccc4)c(OCC)c3)cc2c1 409187363 PLHPAUWGBFIZTF-QRQIAZFYSA-N 458.514 5.573 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409189248 NWFLKTYXDDONFB-LGJNPRDNSA-N 488.327 5.643 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409199348 BRMGIERWFQJQRP-NVMNQCDNSA-N 465.849 5.808 50 40 JKGB COc1cccc(/C=C(/C#N)c2cccc3ccccc23)c1OCc1ccc(Cl)cc1Cl 409306263 ZFZABGSPHOSESA-STZFKDTASA-N 460.360 7.798 50 40 JKGB CCOc1cc([C@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccccc1Cl 409370874 CNYSVUNEMZZIFN-OAQYLSRUSA-N 456.011 5.660 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)o2)cc1Br 409391995 MOCKPVQQJQXWDD-OGLMXYFKSA-N 473.370 6.300 50 40 JKGB CC[C@H](C)Oc1c(Br)cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1OC 409392475 PQNYPHIKEJTOID-PBTLCFMXSA-N 456.340 5.584 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2cc(Cl)c2ccccc32)cc(Br)c1O 842724 OHGHVDCKTOIEGW-SFHVURJKSA-N 457.711 5.188 50 40 JKGB CCOC(=O)c1csc(N(NC(=O)c2ccc(Cl)cc2)C(=O)Nc2ccc(Cl)cc2)n1 1415202 RAWPDKUUYLDCLR-UHFFFAOYSA-N 479.345 5.010 50 40 JKGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(F)cc1 1790241 RXSDVIRMXYPBNU-CTBJKRMSSA-N 465.333 5.122 50 40 JKGB CCn1c(SCC(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])nnc1-c1ccc(C(C)(C)C)cc1 1814960 AYSYCPRDRPZIIG-LOBCTCGSSA-N 492.605 5.078 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3OC(C)C)nc3ccccc23)cc(OC)c1OC 2089676 XWZACMQWWAZJMM-OCSSWDANSA-N 499.567 5.479 50 40 JKGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cn(Cc2c(F)cccc2Cl)nc1-c1ccccc1 2090620 UTFVALYBFFZADV-VFLNYLIXSA-N 497.357 5.573 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)c1 2223855 VJQUMSOOOFPVTA-MZOFLMDJSA-N 453.567 5.368 50 40 JKGB N#C/C(=C\c1ccc(Cl)cc1Cl)S(=O)(=O)c1cc(Br)ccc1Br 3308734 VMRCDXKEZAGMOJ-LFYBBSHMSA-N 496.007 5.857 50 40 JKGB CC1(C)C(c2ccccc2)=NN(c2ccc(/C=N/NC(=O)c3ccccc3O)cc2)[C@@H]1c1ccccc1 6232732 MFDLIOXRPCNOGU-PUFQGMHOSA-N 488.591 6.148 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OCc3csc(-c4ccccc4)n3)c2C)cc1 12546699 RDYMBNFWDMXMBS-HZHRSRAPSA-N 483.593 6.267 50 40 JKGB CCCCc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 13688006 PZVDMOVVQFBYFB-VOUPIIBTSA-N 481.621 6.094 50 40 JKGB N#CC1=C(N)OC2=C([C@@H]1c1ccc(F)cc1)S(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccccc12 20132074 QGNFRQHIDVRLGU-JOCHJYFZSA-N 493.947 5.006 50 40 JKGB COc1ccc(C(=O)N/N=C/c2c(Br)c(C)n(-c3cc(C)cc(C)c3)c2C)cc1 20243863 RKUNXSLYSXICGT-DHRITJCHSA-N 454.368 5.246 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(F)cc1 33757433 ISDCUPQLWLWTRD-STZFKDTASA-N 487.531 5.404 50 40 JKGB O=C(N/C(=C/S)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 102618756 CUKHDFMDSIABME-QOMWVZHYSA-O 474.973 5.793 50 40 JKGB CCCCCCCCCCCCCCCCCC(=O)N/N=C\[C@](C=C=C(C)C)(CC)CCCC 104166675 GPSJXJPDOXTYTG-MYPJSEQNSA-N 474.818 10.058 50 40 JKGB COc1ccc(NP2(=O)N(Cc3ccc(Cl)cc3)CCCN2Cc2ccc(Cl)cc2)cc1 104391403 VCWAJTCDKWGNAG-UHFFFAOYSA-N 490.371 6.930 50 40 JKGB N#C/C(=C\c1cccc(OCC(=O)Nc2ccc(F)cc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1 108199578 QLZOZQZBDVQDNW-GZTJUZNOSA-N 483.421 5.408 50 40 JKGB CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)cc1OC 108991761 HSGYURDJDKHAOR-OBSVYCRBSA-N 459.757 5.362 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)c3ccc(Br)cc3)cc2Cl)cc1 408579055 CTLVUFVHOYJSHK-VXLYETTFSA-N 473.197 7.708 50 40 JKGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 408610147 MLTKGOYBSWLCMH-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 408792055 HCUSUDGHYIRXGT-LICLKQGHSA-N 487.770 6.780 50 40 JKGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Br 408796981 ZRSQAXGLTHPCQL-RCCKNPSSSA-N 487.353 5.586 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Cc2cccc(F)c2)c1 408872977 QCRLVVFYHKZQBC-WOJGMQOQSA-N 455.316 6.278 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cc(C)cc(C)c3)ccc3ccccc23)cc1 408883894 XBGYINUXPMZDAI-NLRVBDNBSA-N 460.577 7.144 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 408983886 NYDAKXKMAOJHPS-OCKHKDLRSA-N 499.369 6.964 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccccc3)o2)cc1C 409003785 UWKAVBPYVSZUOQ-WJDWOHSUSA-N 453.361 6.356 50 40 JKGB Cc1c(/C=N\NC(=O)COc2cccc3cccnc23)c2ccccc2n1Cc1ccc(Cl)cc1 409021540 MQGZQDLKVHQVTR-ACXHZZMFSA-N 482.971 5.729 50 40 JKGB N#Cc1ccc(COc2cccc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2)cc1 409036753 MBRXIJITQBRGNX-FMFFXOCNSA-N 482.543 6.116 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OCC)c1OS(=O)(=O)c1ccccc1 409069939 KASOHBHERZYPNW-OQKWZONESA-N 488.565 5.127 50 40 JKGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 409131688 KCTDPWNMZFBJHY-OAQYLSRUSA-N 475.759 6.041 50 40 JKGB N#C/C(=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 409200587 IQDINSHWQPYJBN-QNGOZBTKSA-N 451.438 6.299 50 40 JKGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc(Br)cc3)o2)ccc1Cl 409208241 BFXDCEPFVUVAOX-WYMPLXKRSA-N 475.726 5.303 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)c(C)c1 409218101 CRSBDZWUVOWMON-XSFVSMFZSA-N 459.933 5.520 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OCC 409312960 AJPXWSZAWATKBG-MWLSYYOVSA-N 499.394 6.300 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2Cl)cc1OC 409333987 KSNSKCKRDPYRTO-YUMHPJSZSA-N 450.922 5.256 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 409374884 AXDZVJPDPYVJGM-WOJGMQOQSA-N 495.894 5.868 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(Br)ccc3OCc3cccc(F)c3)[nH]c2c1 409392945 UIAKDLCCQMOGNH-YVLHZVERSA-N 478.321 6.116 50 40 JKGB COc1ccc(C(=O)CSc2ccc(NC(=O)N/N=C/c3ccc(Br)cc3)cc2)cc1 2290678 VDFBVUGZNRKEQJ-AFUMVMLFSA-N 498.402 5.588 50 40 JKGB N#CC1=C(N)N(c2ccccc2Cl)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccnc1 8450508 FPMFQHLOIDYFBQ-CLOONOSVSA-N 452.945 5.433 50 40 JKGB Cn1ccnc1Sc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1[N+](=O)[O-] 8826049 KYYZDRMVWAKLOR-GXDHUFHOSA-N 473.436 5.044 50 40 JKGB CC(/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)=C\c1ccco1 9044913 COWQEXAQLBFABU-NGQJDVRGSA-N 484.025 5.994 50 40 JKGB CCOC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 9805777 XEQGXRSUYTZYJN-AUWJEWJLSA-N 499.586 5.914 50 40 JKGB Cc1ccc(N2C(S)=C(C#N)C(=O)N[C@H]2c2ccc(-c3ccc(Br)cc3)o2)cc1 12042991 YYALDSRNKYSDMK-HXUWFJFHSA-N 466.360 5.318 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2cc(Br)c(OC(C)C)c(Br)c2)c(C)c1 20195430 UAKUHJQQDMHLNY-FOKLQQMPSA-N 482.216 5.308 50 40 JKGB CCOc1cc(/C=N\NC(=O)COc2cccc(C)c2C)ccc1OC(=O)c1cccc2ccccc12 30843282 OUPHZQIMHVGZIP-MNBJERMJSA-N 496.563 5.604 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)NCc1ccco1 58826049 FEBPIHMADKBTKB-BOPFTXTBSA-N 450.325 5.813 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OC(C)=O 59336266 BFGCGYYTNYYLCO-SDQBBNPISA-N 484.133 5.235 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1cccc2ccccc12 59435236 DFDXTWNPRHSIDR-MUFRIFMGSA-N 497.576 5.811 50 40 JKGB COc1ccc(-n2c(SCC(=O)N/N=C\C(C)=C\c3ccco3)nnc2-c2ccc(C)cc2)cc1 95472019 HPUOOKABQQMPMU-DPYYSDPHSA-N 487.585 5.142 50 40 JKGB CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)c1ccccc1)=C(C#N)[C@H]2c1ccc(Cl)cc1 100960429 UBBNHESVLBDORZ-HSZRJFAPSA-N 463.002 6.021 50 40 JKGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3)N=C3CCCC(O)=C32)cc1 102537670 PQXYWKTZHNGSGB-VWLOTQADSA-N 473.598 6.035 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Cl)c1OCc1ccccc1C#N 108076576 ZKZYQUCKBBRCSI-NHDPSOOVSA-N 468.944 6.438 50 40 JKGB CCN1c2cc(C)c(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2[C@H](C)CC1(C)C 208326444 LDBHKNFQZFGJDA-BIOVLPJHSA-N 482.422 6.380 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cc(Cl)ccc1Cl 209384879 LNWDFCOSJCCMML-LCYFTJDESA-N 462.130 6.562 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408526126 AACQSAVXLMNWHV-NSKAYECMSA-N 466.803 5.089 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4ccccc4C(C)C)cc3)[nH]c2cc1C 408545174 ZHVSXZSGTLASHH-PXLXIMEGSA-N 464.569 6.385 50 40 JKGB C=CCOc1c(I)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OCC 408550936 KVQAASNVTVDUBQ-MTJSOVHGSA-N 481.333 6.472 50 40 JKGB Cc1ccc(-n2cccc2/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1C 408567361 DCGJDVVVJOPCGO-MFKUBSTISA-N 451.617 5.102 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1[N+](=O)[O-] 408598633 GRFNDSCRMNWFOP-RPPGKUMJSA-N 467.312 5.669 50 40 JKGB O=C(NNc1cccc(OCc2ccc(Cl)cc2)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408610427 UFSKKLJNAZLXJP-QGZVFWFLSA-N 470.356 5.069 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc2c(c1)OCO2 408746090 QTKMJKYXRKIPAO-IUXPMGMMSA-N 497.334 5.855 50 40 JKGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)o2)c1 408747235 KVEBTYRAAZBNFP-UVTDQMKNSA-N 485.721 5.695 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccccc1 408758368 JFOLXVULDCEGFY-MOSHPQCFSA-N 477.358 5.972 50 40 JKGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(O)c(Br)c2)cc(C(C)(C)C)c1O 408763388 NOUGVHJWFJVLRJ-VULFUBBASA-N 475.427 5.538 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408768648 ZMPNIQHAQMUNQT-UNOMPAQXSA-N 489.488 5.134 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Br)cc1C 408803682 SBDBBZBDCZLTEY-FYJGNVAPSA-N 461.359 6.191 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1Cc1cccc(F)c1 408874091 YKUXZTYYLODCSV-YBFXNURJSA-N 464.924 6.023 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408900215 UCGQSFFBYABOJF-LICLKQGHSA-N 468.296 6.026 50 40 JKGB C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1C 409047167 NFSDIRAGZXJVIU-OQLLNIDSSA-N 476.168 5.631 50 40 JKGB N#C/C(=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1 409087207 HDKDJXJBQVWDJT-GDNBJRDFSA-N 471.366 6.091 50 40 JKGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 409148713 QQUHHJWZSJUUCN-HXUWFJFHSA-N 459.304 5.526 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1cc(C)ccc1C 409260600 SQYVKSSTMPACOW-IWIPYMOSSA-N 497.595 5.882 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)cc2)cc1OCC 409320943 DAGXDWPOOUJQGR-GTWSWNCMSA-N 480.564 6.146 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2cccc(F)c2)ccc1OCc1ccccc1 409324278 RVLLJPKLVUWZSE-MZFJOGFUSA-N 498.554 6.146 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OC)c(Cl)c2)ccc1OCc1ccccc1 409325999 FKKLIPVZVVNEOA-VYYCAZPPSA-N 473.356 5.744 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc(Cl)c2)cc1OCC 409331959 FHSPABJGRBBGCX-QRQIAZFYSA-N 466.965 5.870 50 40 JKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 867578 BCNDUWXXYBZZKF-XNTDXEJSSA-N 466.291 5.780 50 40 JKGB Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3cccc(C)c3C)N(c3ccccc3)C2=O)c1 2213047 GVTGAHPAJOWFBX-SJUMRLIPSA-N 467.594 5.677 50 40 JKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1OC 2553707 YQWJDCICQROBGH-RGVLZGJSSA-N 496.032 6.429 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2ccc(-c3ccccc3)cc2)nnc1-c1ccc(C(C)(C)C)cc1 2697603 CZWMMXZBDVJIDH-NDZAJKAJSA-N 497.668 6.172 50 40 JKGB COc1cccc2cc(C(=O)N/N=C/c3c(OCc4ccc(F)cc4)ccc4ccccc34)oc12 8722205 AHYNNKMDKMXIOA-OKCVXOCRSA-N 468.484 6.077 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 8812117 DSGOPVABNRDMFZ-UVHMKAGCSA-N 461.320 5.874 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cn(Cc2cccc(C#N)c2)c2ccccc12 8812954 IDEHWNNMNMPOIY-CCVNUDIWSA-N 487.357 5.096 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 8875133 HCCWVHHQSLXNOG-IPPBACCNSA-N 480.351 5.650 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccc(Cl)cc1 9088958 ZOWSGEWJKLURNW-DEOSSOPVSA-N 498.970 5.926 50 40 JKGB N#CC1=C(SCC(=O)N(c2ccccc2)c2ccccc2)NC(=O)C[C@H]1c1ccccc1F 9110587 YAPDKBIZZXCBCO-NRFANRHFSA-N 457.530 5.262 50 40 JKGB Cc1ccc([C@@H]2C(C#N)=C(n3cccc3)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)s1 12462531 VRWNCDWPQMLNSA-QHCPKHFHSA-N 479.527 6.880 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)OC[C@@H]2CC2(Cl)Cl)c(C)n1-c1ccc(Br)cc1 12526787 YVDPGYDREIOANH-AHQMPEJBSA-N 468.178 5.501 50 40 JKGB CC(C)(C)c1ccc(Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1 12565867 NEUXZZRQDOJJAL-NBVRZTHBSA-N 475.932 6.884 50 40 JKGB O=C(N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccccc1Br 20760357 FVAROTUSGHSXGQ-MUFRIFMGSA-N 482.381 6.369 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCc1ccc(Br)cc1 59116914 CCKNDZMRHLJJMY-LDADJPATSA-N 497.776 6.236 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 59116989 AJOGSNBGRNUCAO-SFQUDFHCSA-N 457.744 6.771 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1cccc2ccccc12 59334829 CMXWDMJRYOYZRO-HMAPJEAMSA-N 475.386 5.905 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cccc(Br)c1 59447384 RATDJCRBVZCJOW-JVWAILMASA-N 459.343 5.945 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OCC 59473696 DZQPGXYEIJVJDD-OGLMXYFKSA-N 483.033 6.584 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1ccccc1Cl 107738821 WIMOHSJYSMWAHT-WQRHYEAKSA-N 486.768 7.283 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 408526276 BJXMNROBDGLGOL-IPPBACCNSA-N 486.399 5.842 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1cccc(C)c1 408542614 MOKINIRQTSPTOL-XKZIYDEJSA-N 456.498 5.217 50 40 JKGB C#CCOc1c(I)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OC 408579916 LJIVSWSVYBBADI-NTUHNPAUSA-N 484.120 5.683 50 40 JKGB CCCC1=C(C(=O)OCC)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N2C(=N1)SC(C#N)=C2N 408606244 PITPICCRILRAFJ-FQEVSTJZSA-N 468.966 5.328 50 40 JKGB COc1ccc(C(=O)N/N=C(\COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c2ccccc2)cc1 408733968 ABEZEGPLVZQNQA-KKYHWDRJSA-N 494.635 6.376 50 40 JKGB O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1ccc(Cl)c(Cl)c1 408757694 BQQOQRFHWJKCSB-BRJLIKDPSA-N 492.156 5.739 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2cccc(Cl)c2)cc1 408782144 WEZUWWGIJYHAFP-JVWAILMASA-N 484.021 5.117 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408792114 IBHRJISTFYYKHV-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OCc2ccc(Cl)c(Cl)c2)c1 408798497 IVUVFIHPHDFWGT-UDWIEESQSA-N 481.379 6.744 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 408816651 JYRBUUDPDRRYIT-KVSWJAHQSA-N 486.786 6.179 50 40 JKGB Cc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)c1 408841381 FNJIGMFSHOKRSV-UHFFFAOYSA-N 477.973 5.499 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408843537 FVCDAVYXWKGZNI-YBEGLDIGSA-N 498.764 5.754 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)c(OCc2ccc(Cl)cc2)c(C)c1 408847017 LAZPIOCQEMRJKS-CIAFOILYSA-N 465.380 7.043 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Cc1cc(C)cc(C)c1 408877522 WQHPXOZQUGIDRA-WSDLNYQXSA-N 479.407 7.145 50 40 JKGB Cc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408883149 TUWNLLGDWBWSJU-LDADJPATSA-N 451.309 6.067 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408890660 XHPOOILTDZFIEO-RIYZIHGNSA-N 452.810 5.271 50 40 JKGB CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1O[C@@H](C)CC 408908895 DWHLBMTXKAXEEQ-VFKGCLKRSA-N 480.992 5.302 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C)cc1C 409032360 ITZMGROERYLQDY-MZFJOGFUSA-N 472.592 6.690 50 40 JKGB N#CC1=C(N)Oc2oc3ccccc3c(=O)c2[C@H]1c1cccc(COc2ccc(Cl)cc2)c1 1073909 HWHPFYUEUQLHTE-QFIPXVFZSA-N 456.885 5.244 50 40 JKGB Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)s1 1740899 OBXLCDISMHNLRR-ZMOGYAJESA-N 474.055 5.716 50 40 JKGB Cc1cccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)n1 2172663 SQFGIESILRVDDD-XFBWCDHKSA-N 495.053 5.014 50 40 JKGB CC(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1F)N2 4063744 RQWJLQMHPALCFV-BIUWRGFISA-N 496.991 6.975 50 40 JKGB COc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCCOc1ccc(C2CCCCC2)cc1 9280097 NDINGKLGNQSUEY-MWAVMZGNSA-N 487.600 6.356 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c2)cc1C 9973784 DEEOEAXOPJMWNR-IWIPYMOSSA-N 492.579 5.068 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3cccc4ccccc34)c2)cc1 16157808 DWOLNQMQRNQAIV-KOEQRZSOSA-N 476.532 6.141 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c(C)n1-c1ccccc1Br 20241463 SXSQHINNEKUHSU-MJDKSPQASA-N 470.436 5.629 50 40 JKGB N#Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2Br)cc1 20761057 LDSWJZVXHVYIJM-MUFRIFMGSA-N 484.353 5.817 50 40 JKGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1cccc(Cl)c1 30735329 XVOBLCGMURRPRI-NKVSQWTQSA-N 469.444 5.380 50 40 JKGB Cc1cc(OCc2ccc(C(=O)N/N=C3/CCSc4ccc(F)cc43)cc2)ccc1Cl 34745229 KQMDPHJDBUWLFF-QYQHSDTDSA-N 454.954 5.996 50 40 JKGB CC[C@H](C)Oc1c(I)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OC 35331995 BXQNKWWUSNVFFM-TUTDSIAXSA-N 478.286 5.449 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 59224956 NOSIZBZVDLGRKK-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1F 59921807 AYVYCSUYJXCJME-UZWMFBFFSA-N 498.554 5.190 50 40 JKGB Cc1ccc(/C=C(/C#N)C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)cc1 67321625 FXTNDRZPXFXGSK-FHJAHQSESA-N 457.577 6.725 50 40 JKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)o2)cc1 98001292 KRIVSMZJQSQNGN-SZXQPVLSSA-N 455.599 5.400 50 40 JKGB CC1(C)CC2=NC(SCC(=O)NCc3ccccc3)=C(C#N)[C@@H](c3ccc(Cl)cc3)C2=C(O)C1 102627848 MNYSSPLTCNOBJM-XMMPIXPASA-N 492.044 6.295 50 40 JKGB CCCCCCN(CCCCCC)CC(=O)/C(C#N)=C1/NC(c2ccc(Cl)cc2)=CS1 102949267 YYCIMEPEGWENIX-LVWGJNHUSA-N 460.087 6.742 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccc(C(=O)O)cc1 408541057 DMXAYLWAYYBTIR-BKUYFWCQSA-N 474.343 7.488 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccc(Cl)c2Cl)c(C(=O)OCC)c1C 408546432 JHRGZNUZZSWESK-NTEUORMPSA-N 480.369 5.436 50 40 JKGB CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)o2)cc1 408555356 XEWGDOKQXLSGRT-HMMYKYKNSA-N 499.592 6.261 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 408580943 SNWFIXQEKZYGIC-WOJGMQOQSA-N 469.722 6.654 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 408725973 NQPYZGCOIYSKMM-PDGQHHTCSA-N 453.325 6.127 50 40 JKGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1cc(Br)ccc1O 408726253 MNPHZNMBJOWEIP-LSFURLLWSA-N 454.107 5.485 50 40 JKGB Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 408750869 SRXVIQXTMPNBEB-LQNQUEJISA-N 492.406 5.787 50 40 JKGB C=CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OCC 408751646 AXXSUJDQDHQQEG-UYRXBGFRSA-N 467.363 5.687 50 40 JKGB Cc1sc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)c(C#N)c1C 408761185 CEOXKBHCCQNFRA-NVMNQCDNSA-N 479.403 5.952 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccccc1Cl 408785675 ANNPOVWDBRDQDQ-HMAPJEAMSA-N 460.961 6.480 50 40 JKGB Cc1cc2nc(/C(C#N)=C\c3cn(CCSc4ccc(Cl)cc4)c4ccccc34)[nH]c2cc1C 408791303 YNGBOCHQEDIYJX-HKWRFOASSA-N 483.040 7.644 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)cc1)C(=O)Nc1cccc(Br)c1 408806595 FQWPZAKHPPFBJY-QGOAFFKASA-N 476.330 5.012 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 408821823 KNMLXXWYIZNWBE-JAIQZWGSSA-N 467.352 5.804 50 40 JKGB Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccc(F)cc4)cc3)cc2)cc1 408821921 AJTIABUJXGACJJ-NLRVBDNBSA-N 492.550 6.838 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OCC 408822404 BHSJJLMFJNRFRM-CJLVFECKSA-N 488.971 6.428 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(O)c(Cl)c4)cc3)cs2)cc1 408839053 MEJOTTBZEBEZFX-LGJNPRDNSA-N 462.962 5.985 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(C(C)(C)C)cc1 408858368 YPVFXBOGKJPLQF-MBTHVWNTSA-N 492.417 6.664 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409240289 GGWWOZDLMGASDK-LZAZYHHXSA-N 489.959 5.150 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409258130 TZAPMOYEHMEDJY-MOSHPQCFSA-N 489.959 5.529 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409265356 UJAJUVYCGPQNTN-KGENOOAVSA-N 487.531 5.404 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1 409270033 NWFMDKQNTSRWKL-XDHOZWIPSA-N 477.923 5.659 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c(C)n1-c1sc2c(c1C#N)CCCC2 2161536 OQTUCONHSXDZSB-WCMJOSRZSA-N 492.604 6.569 50 40 JKGB N#C/C(=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1ccccc1C(=O)O 2775483 XDFRZTOFMWVIAO-CJLVFECKSA-N 471.516 6.087 50 40 JKGB O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/C(Cl)=C\c1ccccc1 13564428 MZFNCUILFPQNBD-FLFUNREMSA-N 460.990 5.559 50 40 JKGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)o1 14152064 VPMUUJIPUMWDMO-MHWRWJLKSA-N 457.511 5.311 50 40 JKGB N#CC1=C(N)O[C@@H]2[C@@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1cc(Cl)ccc1Cl 16488830 GRJUKLJTUXBPKT-GPMSIDNRSA-N 453.251 5.182 50 40 JKGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1 19831327 LMQBAQAVNSNAIG-SANMLTNESA-N 498.608 5.549 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)cc1C 26687282 DOGIVOVOWQNPPS-QJOMJCCJSA-N 480.568 5.843 50 40 JKGB CCOC(=O)/C(C#N)=C\C=C(\C=C/N(C)CC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 34782224 ZCSYLYHOHHREAE-UGGJCEKTSA-N 476.576 6.078 50 40 JKGB O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1cccc(Cl)c1 59101653 AODTWOAEMZMWSH-RPPGKUMJSA-N 476.747 5.315 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCc1cccc(C(=O)O)c1 59250283 GVYCCABNJRAEBC-NVMNQCDNSA-N 497.334 5.825 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 59297096 WBIVTIFTXPDJDK-XMHGGMMESA-N 467.352 6.517 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(Cl)cc1 59421119 DRYQTUWAESESNQ-RPPGKUMJSA-N 477.731 5.639 50 40 JKGB N#C/C(=C\Nc1ccc(F)cc1F)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 90427194 HLARXYWANXDCFN-FMIVXFBMSA-N 486.297 5.934 50 40 JKGB CCCCCCCCCCCCOc1ccc(/C=N/NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 100846538 HTTHMJJUHAVCGH-UQRQXUALSA-N 466.710 7.653 50 40 JKGB C[C@@H](CCC(=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 118914657 XNTZTQJAAZNSGD-WDXTWPGPSA-N 453.461 6.089 50 40 JKGB Cc1ccc2c(c1Cl)N[C@H](C(=O)O)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]21 254029416 YCLFNFMIGLHWRQ-SRXGNBAJSA-N 453.347 5.307 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)NC45CC6CC(CC(C6)C4)C5)cc3)[nH]c2cc1C 408603394 GLAIXXOAOWBRSN-WYMPLXKRSA-N 480.612 5.708 50 40 JKGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 408610929 PAPXBTDJVROVRE-FJEPWZHXSA-N 498.410 5.462 50 40 JKGB O=C(N/N=C\c1ccc(Br)cc1)c1ccc2c(c1)CN(c1ccc(Cl)cc1)C2 408729205 YGQZNSAWUIUEPV-ROTLSHHCSA-N 454.755 5.387 50 40 JKGB CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 408786065 KUARBMPVTSUEAE-CHHVJCJISA-N 468.178 5.766 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)cc1 408789635 QNOFYMUXQWBTDC-RGVLZGJSSA-N 495.362 6.213 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1 408792901 BXIUCIRXQRTECI-XDHOZWIPSA-N 465.322 6.021 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1OCc1ccccc1C#N 408798814 XEVPEFZENYZRMJ-MFKUBSTISA-N 463.537 5.728 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1cc(OC)ccc1OC 408807253 KTWSDLCVRMQRDP-FFDNOJFASA-N 478.589 5.283 50 40 JKGB CC(C)Oc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 408824731 JDTVWJFDBOXGHD-DEDYPNTBSA-N 481.379 6.905 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)Nc3ccc(Br)c(C)c3)o2)c(Br)c1 408904034 CQFXEQPEQQQNRG-FOKLQQMPSA-N 491.183 6.244 50 40 JKGB Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c1 408945085 WQLXOFDRUXGVQU-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB COc1cccc2cc(C(=O)N/N=C/c3ccc(OCc4ccccc4)c(Br)c3)oc12 408972393 SRRJNULJUCMRMM-VULFUBBASA-N 479.330 5.547 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OC)c1OCc1cccc(F)c1 409071459 OQZGBKHFIADVQU-HZHRSRAPSA-N 486.543 6.086 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(-n4c(C)ccc4C)c3)c2C)cc1 409187069 LOGQHAZULGRYHG-RDRPBHBLSA-N 454.574 5.664 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1cccc(C)c1 409199216 BWTFFMJGXPRGRX-VULFUBBASA-N 454.979 5.478 50 40 JKGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 409392943 UHGMQNUUUYXKGY-FJEPWZHXSA-N 478.379 6.288 50 40 JKGB N#CC1=C(SCC(=O)c2ccc(Br)cc2)NC2=C(C(=O)CCC2)[C@H]1c1ccco1 2212464 IVQYMRAIZWGNPQ-HXUWFJFHSA-N 469.360 5.087 50 40 JKGB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1ccc(N(CC)CC)cc1 2304602 ZUEJCDDBHSNXDR-PGMHBOJBSA-N 473.598 5.984 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1nnc(C(F)(F)F)s1 4106520 SVVISPJFBJLATR-NTEUORMPSA-N 471.439 5.245 50 40 JKGB COc1cc(/C=C(\C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccc(Cl)cc1 4196348 ZNZHTQGRNYGTAO-GIJQJNRQSA-N 489.196 7.408 50 40 JKGB N#C/C(=C/Nc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Br)cc2)cs1 8387200 WXZFVYJOMRGBRJ-XFXZXTDPSA-N 451.176 6.856 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 8399939 LAUHPYOJSOGKJP-HMAPJEAMSA-N 462.530 6.560 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(F)cc4)c32)ccc1OCc1ccccc1 8566440 BBIZPCPJLZIVTJ-QHCPKHFHSA-N 468.488 5.022 50 40 JKGB O=C(N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccc(Br)cc1 12360364 IDLIJQWRJWUNFO-COOPMVRXSA-N 484.353 5.283 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 14152126 VEYRSCSAUJEBJV-CPNJWEJPSA-N 457.530 5.762 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@]21C(=O)N2c3c(cccc31)C(C)(C)CC21CCCCC1 14162280 KQDYZPJWRNVHSN-GDLZYMKVSA-N 471.601 5.022 50 40 JKGB C=CCSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 19880001 NGWHSQAGOZMKNL-MBOZVWFJSA-N 484.952 5.493 50 40 JKGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 20248071 FWFXMDSPJOQPTG-MAFAOTQISA-N 473.425 6.344 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1 20347561 UZXQPGFYBOYELL-RUZDIDTESA-N 484.581 5.295 50 40 JKGB CCCCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1 20347631 YEEYLKVMURZPLU-RUZDIDTESA-N 491.613 5.106 50 40 JKGB C/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cc(Cl)ccc1Cl 33385549 YEYUAXDLILLULA-MXAYSNPKSA-N 496.803 5.602 50 40 JKGB Cc1cc(C)c2c(c1)/C(=N\NC(=O)CSc1nnc(-c3ccccc3)n1-c1ccccc1)CCC2 33761988 RYJMNWICZQTCCZ-GNVQSUKOSA-N 481.625 5.500 50 40 JKGB Cc1c(Br)c(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1ccc(Br)cc1 59104446 VQFVXTJWLOGUQN-WJDWOHSUSA-N 490.626 7.337 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc(C(=O)O)c1 59248055 YWAOBJNRWKXEDS-ODLFYWEKSA-N 462.889 5.171 50 40 JKGB COc1ccc(CSCC(=O)N/N=C(\C)c2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 59473043 MKIWESGEDFLKNS-OGLMXYFKSA-N 482.005 5.375 50 40 JKGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(CSCc2ccccc2)cc1 59473239 RFCTZYVUBJSAIL-AFUMVMLFSA-N 469.404 5.655 50 40 JKGB CCCCCCCCOc1ccc(OCC(=O)N/N=C/c2ccccc2Br)cc1 98001320 QDUAVINPNKDGGG-KOEQRZSOSA-N 461.400 5.718 50 40 JKGB CCCCCc1ccc(C(=O)[C@H](Br)[C@H](Br)c2ccc([N+](=O)[O-])cc2)cc1 98043374 WIVLDTPLWCVHAS-RTBURBONSA-N 483.200 6.410 50 40 JKGB CCCCOc1cccc(N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)c1 100179609 HUGGXYYBFVPLRS-VKAVYKQESA-N 454.393 6.728 50 40 JKGB COc1ccc([N+](=O)[O-])cc1N=P(Nc1nccs1)(c1ccccc1)c1ccccc1 103443538 QMBDMYPTBOLPLF-UHFFFAOYSA-N 450.460 5.571 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccccc1F 109028535 YYXONOYZUQTFQA-BOPFTXTBSA-N 453.267 6.140 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408752636 IWTRBXTUMSNCHG-LGJNPRDNSA-N 457.313 5.294 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C\c2cn(CCSc3ccc(Cl)cc3)c3ccccc23)c1 408774821 DAEIPZIJCOIORK-CYVLTUHYSA-N 488.012 6.641 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(OCc2ccc(Cl)cc2)c1 408802322 ZBCBCOCDSBTXQA-YBFXNURJSA-N 467.352 6.435 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1c(Cl)cccc1Cl 408883649 VUWWNMYIXDBRSZ-SFQUDFHCSA-N 468.296 6.026 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 408897016 PSSHESGJQNOSCB-JFLMPSFJSA-N 452.938 5.155 50 40 JKGB CC(C)COc1c(Br)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Br 409047217 NVCKHQYWLPRREL-VGOFMYFVSA-N 475.184 6.187 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OCC)c1OCc1ccc(F)cc1 409067746 PRLCTXKEYBFIBT-PXLXIMEGSA-N 454.501 6.737 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OCC)c1OCc1ccc(C)cc1 409240728 HPWPNGPVNOUTAL-BCDHINTGSA-N 480.608 6.486 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2Cl)cc1OC 409320046 BEVRJEUERBLGHW-VYYCAZPPSA-N 473.356 5.744 50 40 JKGB CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)ccc1OCc1cccc2ccccc12 409361082 GPQKTHOOQQHDQF-WPWMEQJKSA-N 480.655 5.854 50 40 JKGB Cc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1 1825267 QNRUDAQUNOIVMS-CVKSISIWSA-N 468.026 5.655 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 3139643 OKMKWKMBIPRIFZ-RDRPBHBLSA-N 495.491 5.010 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1-c1cc(Cl)ccc1Cl 3188413 UNNZQTUWJSLFDS-MHWRWJLKSA-N 492.378 7.261 50 40 JKGB CCN(CC)c1ccc(/C=C2\CCC(/C=C(\C#N)c3nc4ccccc4[nH]3)=C2N2CCOCC2)cc1 3268140 BCBWLIFFWGSDQY-DJCYKTPPSA-N 479.628 5.780 50 40 JKGB O=C(c1ccccc1)N(N=C(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1 5124621 FYJXHTBCRJKLOT-UHFFFAOYSA-N 466.453 5.602 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 8812763 IBXFURWQEZTRPN-OPEKNORGSA-N 495.204 5.936 50 40 JKGB O=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 9056964 GPDFVAULDXGZSY-XODNFHPESA-N 491.853 5.539 50 40 JKGB CN(C)c1ccc(CN(CC[C@]2(Cc3ccccc3)CCOC(C)(C)C2)C(=O)CCl)cc1 9086459 OWMGKZVTRRYYLD-HHHXNRCGSA-N 457.058 5.528 50 40 JKGB CCOc1ccc(-c2[nH]nc3c2[C@@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O3)cc1OC 9308587 ZURQOVDQJZYLLR-KRWDZBQOSA-N 457.317 5.009 50 40 JKGB CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1 13659832 MFLGNIIFJPXLJI-WPWMEQJKSA-N 477.634 5.400 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OC(=O)c1cccc2ccccc12 13940120 HHXWDUGEGUIRQY-RCCKNPSSSA-N 496.950 6.575 50 40 JKGB C[C@@H]1CCc2c(sc3nc(/C(C#N)=C/c4ccc(-c5cc(Cl)ccc5Cl)o4)[nH]c(=O)c23)C1 15979025 AYFVIBSMKQJBSS-AUWXEVLLSA-N 482.392 6.740 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccc(I)cc2)c(C)c1 20194930 XVSGWNVULPSSFS-CVKSISIWSA-N 498.364 5.180 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 20198013 WXOBVCFNGXSIMB-STBIYBPSSA-N 480.992 6.179 50 40 JKGB O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(Oc2ccccc2)cc1 20243971 HSYFPZQJEWHPGX-ZVHZXABRSA-N 455.377 5.625 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1 20347563 UZXQPGFYBOYELL-VWLOTQADSA-N 484.581 5.295 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1 28216524 SXHDFLNTMYHDQH-IXBOPPFXSA-N 490.854 6.141 50 40 JKGB C/C(=N\NC(=O)[C@H](C)Sc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 58917142 IFICDRRDYOYGKS-UDCQLWOHSA-N 485.628 6.673 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 59116970 HKXBCIIQAYKMRR-QGOAFFKASA-N 481.335 6.157 50 40 JKGB C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc2c(c1)OCCO2 59473240 YACZAOBUXUYYNV-WGOQTCKBSA-N 452.963 5.558 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 59565548 AOWXYVXQLJIHDJ-RCCKNPSSSA-N 460.917 5.641 50 40 JKGB CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCCl)CC[C@]4(C)[C@@H]3CC[C@]12C 70665739 PRYJZWFEVZHKQI-LYHQETOBSA-N 477.173 8.857 50 40 JKGB biogenic CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C 123227891 IZWHBFBYKQEQAB-RUXQDQFYSA-N 467.576 7.842 50 40 JKGB CCOC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 208819734 CDGWIEMYVRPAFH-NVNXTCNLSA-N 450.716 5.160 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 408535099 XOOWECJAJRJUOO-RWPZCVJISA-N 496.405 5.297 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1OC 408582670 ORZTUZDRIOBZBQ-YBFXNURJSA-N 499.972 5.506 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1OCc1cccc2ccccc12 408583852 XSALBCWXMPUUFQ-PCLIKHOPSA-N 465.549 6.899 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(-c2ccccc2)cc1 408733884 CBNNIBLAHNPIDZ-LFVJCYFKSA-N 451.957 6.960 50 40 JKGB COc1c(Br)cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1Br 408740667 DAHDTEZUOISEJI-QCDXTXTGSA-N 486.167 5.229 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)c(Br)c2)c1 408746803 VVKLTFNIWHSZFK-UNOMPAQXSA-N 495.348 6.112 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1cccc2ccccc12 408760109 RQFMJTMEIYLAEO-STBIYBPSSA-N 454.526 5.508 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Br)cc2)cc1 408760304 WIIJZJPLYFNWIB-NBVRZTHBSA-N 497.370 5.071 50 40 JKGB CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 408768928 MFQQBFPCAQNGTB-CHHVJCJISA-N 451.723 5.252 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)c1 408788113 IKWJJXURQOJVPZ-UDWIEESQSA-N 491.341 5.580 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1cccc([N+](=O)[O-])c1 408789564 KDJLQAFEJNGURU-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1C#N 408798095 UUGVJNYSTRPJHU-FSJBWODESA-N 485.971 6.352 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1cc2ccccc2o1 408847898 WQGNEXZJAPXNJN-ZMFRSBBQSA-N 483.749 6.192 50 40 JKGB C/C(=N\NC(=O)CSC1c2ccccc2-c2ccccc21)c1ccc(NC(=O)c2ccccc2)cc1 408865738 DUJIMRZGBPDOEF-UZWMFBFFSA-N 491.616 6.282 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1 408883736 WHEXQPQNJKHUGY-VCHYOVAHSA-N 493.903 5.390 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2Br)ccc2ccccc12)C(=O)Nc1ccc(O)cc1 408889141 DZIVGBAFCBEWHQ-HMMYKYKNSA-N 499.364 6.433 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)c1nc2ccccc2s1 408925573 SEEUUCGTWBWAAK-HMMYKYKNSA-N 452.966 7.746 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1C 408935584 HZEZWZTUQYXSOY-JAIQZWGSSA-N 451.353 6.735 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3cccc4cccnc34)c([N+](=O)[O-])c2)c1 408994544 ZPJIKYQVUSEJBE-XSFVSMFZSA-N 466.522 6.148 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 409074125 KHRUMYJFTQNAKV-FOWTUZBSSA-N 473.337 5.307 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc(Br)cc1 1805760 CTLWSPYZLCHLMV-FMIVXFBMSA-N 495.682 6.927 50 40 JKGB CC[C@@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3cc4c(cc3Cl)OCO4)c3ccccc3n2)cc1 2109496 DIWKQURDNYCEOW-UVPDUMAMSA-N 485.971 6.561 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2C)sc2c1CCCC2 4196186 FGMCHSJNVSQXFW-QNGOZBTKSA-N 487.625 6.065 50 40 JKGB CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1OC 8763836 OJADKTYSSYCPPK-HYARGMPZSA-N 475.614 6.166 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(Br)c(Cl)c1 9259496 HIDMJIDLPYLKNQ-KBKYJPHKSA-N 473.733 5.285 50 40 JKGB CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCn2ccnc2)cc1 9461198 YOYKZBUJNUCJNQ-NKFKGCMQSA-N 496.640 5.351 50 40 JKGB Cc1ccc(-c2n[nH]c3c2[C@H](c2cccc(OCc4ccc(F)cc4)c2)C(C#N)=C(N)O3)cc1 10013825 UEESRXKIDGSPLG-HSZRJFAPSA-N 452.489 5.321 50 40 JKGB Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)CSc3ccccc3)c2C)c1 20243691 LBUBWCKFDMAHJL-DHRITJCHSA-N 470.436 5.716 50 40 JKGB COc1ccc(C(=O)N/N=C/c2c(Br)c(C)n(-c3ccc(C)c(C)c3)c2C)cc1OC 20243870 NEXATNXQIQNZLU-LGJNPRDNSA-N 484.394 5.255 50 40 JKGB C/C(=N\NC(=O)CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)C(C)(C)C 20461312 ZOGWZXUIFDZLFO-VULFUBBASA-N 489.947 5.092 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 32116837 XGKVODUKMUATKY-VBKFSLOCSA-N 465.918 5.954 50 40 JKGB Cc1c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2n1Cc1ccc(Cl)cc1 33647437 PPDSNJQZILAZDC-DICXZTSXSA-N 460.921 5.252 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1F 34897823 SOWFKGODGVOVDC-BOPFTXTBSA-N 453.267 6.140 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1cccc(C(=O)O)c1 35057483 YZFGSLXZCQKISQ-MXAYSNPKSA-N 483.951 7.233 50 40 JKGB O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1)Nc1ccccc1Cl 58883000 SACLYUKEIHMJMF-ZRGSRPPYSA-N 476.747 5.428 50 40 JKGB Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2cccs2)C2=C(O)CCCC2=N1 95483888 CRIJRZZWCHKLOH-NRFANRHFSA-N 470.019 6.351 50 40 JKGB CC(C)C[C@@H](Cl)COC(=O)c1ccc(-c2ccc(C(=O)OC[C@H](Cl)CC(C)C)cc2)cc1 97961435 OBAGOTLMOOPYDB-DNQXCXABSA-N 479.444 6.974 50 40 JKGB CCCCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CCC)c1=O 100669776 KRGYHNCEBHDWMM-UHFFFAOYSA-N 471.642 5.579 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccc(C)cc1 107961003 FXQFCIMFNUGMRQ-NDENLUEZSA-N 466.350 6.939 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1O[C@H](C)CC 408570312 UAHYNFNLWHMLCQ-ATDKOCKZSA-N 458.331 6.105 50 40 JKGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Br 408735261 PBHPXYSWSWZVGH-VZUCSPMQSA-N 470.548 5.419 50 40 JKGB C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 408776500 PGSYXHKQGWOJBK-NHFJDJAPSA-N 484.021 5.001 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(OCC)c1OCc1ccccc1C#N 408793589 FMFHWBSJVSVADS-WPWMEQJKSA-N 491.591 6.373 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2c(C)ccc3ccccc23)cc1 408796048 CWQITNCJWNAPGP-PXLXIMEGSA-N 482.967 6.935 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1cccc2ccccc12 408801648 VCNIZIREIZZMFY-NUSJNKERSA-N 468.597 6.419 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(OCc2ccc(Br)cc2)c1 408807502 DBDBXZFPDQQMSN-DEDYPNTBSA-N 477.358 5.891 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2n1Cc1ccc(Br)cc1 408817437 VRRFUTSJPFFOCD-UGAAVYLDSA-N 490.445 6.362 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1cccc2ccccc12)c1cc2cc(Br)ccc2o1 408848552 RAHIZIVNWVNNCT-MWLSYYOVSA-N 499.364 6.691 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccc(F)c2)cc1 408887686 SKRFREAJFZSXIV-KGENOOAVSA-N 474.488 5.136 50 40 JKGB CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc(C(C)(C)C)c1O 408889891 KPDNXEVBHNECDW-VGOFMYFVSA-N 490.387 6.748 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409214615 WKZPQLZQFGWXMO-DICXZTSXSA-N 477.608 7.534 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409271194 KHRLFPOSZBCBCH-NDENLUEZSA-N 489.959 5.529 50 40 JKGB COc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 409374089 XIDKZNVULKKHCH-DHRITJCHSA-N 473.754 5.454 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 959544 BQZRBQQHRKULBW-ZYQRROFTSA-N 496.563 5.325 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc(Br)c1OC 1101138 HXXSJJJUHJBWSN-HXUWFJFHSA-N 451.320 5.228 50 40 JKGB COc1cc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC 1762817 VRDXPPWNGKPVCI-SDNWHVSQSA-N 472.364 5.575 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1 1780989 KNJBBABOHZCGQD-RGVLZGJSSA-N 478.784 6.564 50 40 JKGB Cc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c(C)c1 1782698 NEUKHEWLQOTRNS-VULFUBBASA-N 467.363 5.174 50 40 JKGB CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3c(=O)[nH]2)cc1 9461361 PMAJQYYDANNPTQ-HEHNFIMWSA-N 489.604 6.342 50 40 JKGB CCCCCCc1ccc(OCCOc2c(Br)cc(/C=N/NC(N)=O)cc2OC)cc1 13940164 OGCBHQQBZBWFBZ-WGOQTCKBSA-N 492.414 5.041 50 40 JKGB CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)[C@H](C)SCc1ccccc1 15135166 FXYIHCNCAVQPOJ-MOYYISEASA-N 470.639 5.485 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Br)c2C)cc1Br 20760412 UWNWJQYPNFBOSL-WYMPLXKRSA-N 489.211 5.691 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 32561919 XAMHMYOQPFKDRJ-UDWIEESQSA-N 469.928 5.295 50 40 JKGB N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1c(F)cccc1Cl 38680193 XCKFBMXVIDIDSP-FQEVSTJZSA-N 499.723 5.679 50 40 JKGB Cc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl 58917761 VXWPEQGKQTVHPB-LGJNPRDNSA-N 480.848 6.687 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3cccs3)c2C)sc2c1CCCC2 59534534 WRONNJOQCFKGLZ-CPNJWEJPSA-N 493.654 5.496 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)c1cccc([N+](=O)[O-])c1 106109907 MLVZPVMZRWIUJE-WQRHYEAKSA-N 478.302 5.439 50 40 JKGB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@@H](Cl)[C@@]2(Cl)C1 118914073 JFNJWGVLTHTDCN-BSMCXZHXSA-N 499.607 8.618 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 408583867 XYLCWPVWVUOHTB-KGENOOAVSA-N 479.554 5.243 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 408748007 WZLYIMXZDZBDJO-MTJSOVHGSA-N 481.379 6.194 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(Cl)c2)cc1 408787704 FDJRIBMDVYSOOV-FYJGNVAPSA-N 460.917 5.560 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OC)c1OCc1ccccc1C#N 408793832 GTYZQNJODCDAOA-BUVRLJJBSA-N 479.536 5.429 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)C(=O)Nc1ccccc1F 408810443 IXSLBUVMIFDOAQ-AQTBWJFISA-N 498.295 5.555 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl 408826945 LTZWFKZCHMDONE-LICLKQGHSA-N 487.770 6.780 50 40 JKGB Cc1ccc(N(Cc2ccc(C(=O)NN=C3CCC(C(C)(C)C)CC3)cc2)S(C)(=O)=O)cc1C 408877317 UQKGSEITPTWKSA-UHFFFAOYSA-N 483.678 5.592 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1 408889038 AZIQANQVDCIRQL-DEDYPNTBSA-N 480.973 5.579 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 408894723 IXEVWKSWVATMDX-LICLKQGHSA-N 491.296 7.137 50 40 JKGB O=C(N/N=C/c1ccccc1OC(=O)c1cccc2ccccc12)c1ccc(Cl)cc1Cl 408895526 NEZVDJWRGQHZNW-RWPZCVJISA-N 463.320 6.130 50 40 JKGB O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1cccc(Br)c1 408896934 OZGOBIQITMMZEC-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 408923767 JTTPQJLGABPYGJ-LQKURTRISA-N 470.610 5.096 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCC(=O)OCC 408991564 QKJICPSZVMHCKS-NDENLUEZSA-N 482.964 5.263 50 40 JKGB O=C(N/N=C/c1cccc(Cl)c1Cl)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 409004212 BEXSQDKELJVRTE-OPEKNORGSA-N 473.187 5.303 50 40 JKGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1cc(-c2ccccc2)nc2ccccc12 409029911 CZOLURWKHHISFH-LGJNPRDNSA-N 474.314 5.157 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)cc1 409038634 AIFHXFGQRYFXIA-VCHYOVAHSA-N 499.325 6.044 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(Cl)c(Cl)c1 409127362 POUWSHABWKJOTB-QHCPKHFHSA-N 469.324 5.505 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)cc1 409220013 SQVHYTIYGUAAMR-WOJGMQOQSA-N 480.351 5.865 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C 409250378 KPHUSZCFGMDNDW-UDWIEESQSA-N 491.931 6.037 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1 409252352 DHQBLPAERMRQCG-PDGQHHTCSA-N 480.351 5.865 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 409361081 OVYBJDBCIYUCPS-MBTHVWNTSA-N 471.384 5.972 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cccc(Br)c1)C(N)=C(C#N)[C@@H]2c1ccsc1 707324 QXQPLNLWHNINEL-IBGZPJMESA-N 454.393 5.451 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2/C(=N/OCc2ccc(F)cc2)CCC3)cc1 1383265 TXMBKANUAASHAB-CQCAPLITSA-N 469.516 6.153 50 40 JKGB Cc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)NC2=C1C(=O)CCC2 2310088 OTMRPEZQWZOFLP-QHCPKHFHSA-N 463.990 5.449 50 40 JKGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1 2553438 NVESBZDUGVDUBY-GIJQJNRQSA-N 456.398 6.710 50 40 JKGB CCN(CC)c1ccc(C(=O)N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1 3213488 IIAUFAMBCWMDFQ-UQRQXUALSA-N 462.597 6.767 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3c(s2)CC[C@H](C)C3)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 3389410 CKQXKGCTZDCLRV-DFYSKCOWSA-N 493.982 6.717 50 40 JKGB O[C@H](CBr)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 8667824 MPKHSUSSUPCKRQ-MRXNPFEDSA-N 465.989 6.944 50 40 JKGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(Br)cc2)[C@@H]2C[C@@H](c3ccccc3)CC=C12 9020074 LYIKSXMWYJEQPQ-ZEYPLWLESA-N 455.359 5.436 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OCc1ccccc1 9113677 XBBDVBPDLUQUSS-UXHLAJHPSA-N 453.542 5.380 50 40 JKGB CC(=O)N/N=C/c1cc(Br)ccc1OCCOc1ccc(C2CCCCC2)cc1 9635674 IAQDNLJPOJARCM-PCLIKHOPSA-N 459.384 5.425 50 40 JKGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 12371068 QVFDHSDUKCQWOQ-DHRITJCHSA-N 486.753 5.127 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 13387959 XMVVKPNXEIIICH-SFQUDFHCSA-N 477.860 5.022 50 40 JKGB COc1cccc(OCCOc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1 13943934 FGMXENBABKDMOA-XDHOZWIPSA-N 497.378 6.314 50 40 JKGB N#CC1=C(N)O[C@@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@H]1c1ccc(Cl)cc1Cl 16488880 HUXGBZDILHAPAC-TXPKVOOTSA-N 453.251 5.182 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 18272118 QSSOQKXARRPUQE-GIJQJNRQSA-N 480.440 5.304 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)c1cc(Cl)ccc1O 20158755 VATDYHJDTSSMHC-DBFSUHOCSA-N 484.770 6.722 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3)c2C)cc1C 20243614 RIGFQRDDPFIOTC-LGJNPRDNSA-N 484.463 5.857 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 59224668 LLNROYAJVLAHHW-GZTJUZNOSA-N 468.296 6.026 50 40 JKGB C/C(=N\NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1 59473590 ZGSLHINJQMDHPI-AKBIMGJMSA-N 451.979 5.613 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 59921937 HKWIIAKYHOJVFU-DHRITJCHSA-N 481.986 5.411 50 40 JKGB CCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 100843655 AADYERICIFHQTR-XLNRJJMWSA-N 451.551 6.630 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)c1ccccc1F 107722007 SIZLXNRBULHBHO-BOPFTXTBSA-N 487.166 6.994 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)Sc1nc2ccccc2s1 107763421 PHMPLGRYTIZMFK-WQRHYEAKSA-N 469.418 7.839 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1cccc(C)c1 207147165 WVMYVZRLMZHHDY-HYARGMPZSA-N 475.386 6.445 50 40 JKGB O=C(Cl)/C=C/c1ccc(OCc2ccc(Br)cc2)c(I)c1 226334461 GEBHHFFSNQJKLV-XBXARRHUSA-N 477.523 5.411 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1ccc(Cl)cc1 408580029 MPKDDWWJERAWKW-RQZCQDPDSA-N 493.615 8.052 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 408582364 NDUXKJVTBCYUJG-UDWIEESQSA-N 450.332 6.109 50 40 JKGB CC(C)c1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1 408742889 QJDGLBQJSZWPQM-PPFNPFNJSA-N 483.615 7.699 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)c1 408744792 HFNJQPNLBOZZLF-JYRVWZFOSA-N 472.284 6.106 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OCC)c3)c2C)sc(C)c1C 408745309 LIXXXXJFCJNFMB-BKUYFWCQSA-N 491.613 5.894 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 408745556 NULJYLRIJFINFG-WQRHYEAKSA-N 493.903 5.390 50 40 JKGB N#C/C(=C\c1cc(Br)cc(Cl)c1O)C(=O)Nc1cccc(Br)c1 408766164 PKCLPYAUMNSCJU-ONNFQVAWSA-N 456.521 5.116 50 40 JKGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 408787712 FGRRDSNNRHXCEP-XNTDXEJSSA-N 459.727 5.059 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Br 408792310 APDGXLWMYHLEJD-CXUHLZMHSA-N 490.195 5.939 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccccc1 408801435 SYFGRMRIQNFNNX-SXZORUHJSA-N 474.391 6.781 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(F)cc2)c2ccccc12 408805416 AWCOBYVDHZHGNM-DEDYPNTBSA-N 457.936 6.645 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)C(=O)NCc1ccc(Cl)cc1 408806501 FAFMJUUHGOJBLK-CPNJWEJPSA-N 480.351 5.234 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)cc1 408857994 QYMITUMGZWFKOC-XDHOZWIPSA-N 465.322 6.021 50 40 JKGB COc1cc(Cl)c(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 408858961 UYUDVNUEUNMPEY-RHANQZHGSA-N 473.960 5.887 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(F)c2)cc1 408890224 PYFGXXDOXBNTLH-DEDYPNTBSA-N 478.907 5.780 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc4ccccc34)c2)cc1 408933943 CGZZVTSZPZUTLV-JLPGSUDCSA-N 462.505 5.751 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br 408990753 YLKYPGZBPCDGLW-QPEQYQDCSA-N 498.602 6.118 50 40 JKGB O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1cc2cc(Cl)ccc2o1 409023870 LKTHZUAUAIFCHF-FXMZOFOKSA-N 491.733 6.875 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1OCc1cccc(F)c1 409064761 FFMJUFLCPHZIAH-LPYMAVHISA-N 490.962 6.731 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1OCc1ccccc1F 409070415 GEGOBCQPLHUCJI-BUVRLJJBSA-N 470.544 6.304 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)ccc1OCc1ccccc1Cl 409182259 KABRZJDZSKBBLB-LQKURTRISA-N 450.966 5.627 50 40 JKGB CCN(CC)C(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2Br)cc1 409186543 DMVBISBHCMPILI-BOPFTXTBSA-N 492.211 5.566 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1C 409270429 FWJLKWFWUVTMTL-UDWIEESQSA-N 461.905 5.947 50 40 JKGB O=C(CNc1cccc2ccccc12)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1 409391834 LUCQGUXOXZTGGF-MUFRIFMGSA-N 488.385 5.744 50 40 JKGB COc1ccc(-c2ccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)o2)c([N+](=O)[O-])c1 409393515 XYJYEPDYGRNUOJ-WPWMEQJKSA-N 455.470 5.146 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1OCC(=O)Nc1ccc(C)cc1 873370 CMOCPZYNWDXUIT-MUUNZHRXSA-N 491.547 5.393 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1cccc(C)c1 2159667 YRVPOIYGQVANMZ-OCSSWDANSA-N 464.521 6.246 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2cccc(F)c2)c(Cl)c1)OCO3 3628378 QRTYNOINQPAZOF-HSZRJFAPSA-N 450.853 5.005 50 40 JKGB COc1cc(/C=C(\C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccc(C)cc1 4196412 UQDNAEBYMDXEDC-KEBDBYFISA-N 468.778 7.063 50 40 JKGB COc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1CSc1ccccn1 8432240 VITBPTKIYWYNHC-LGJNPRDNSA-N 468.003 6.015 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)c(Br)c(Br)c1O 9189873 XRFZRNAIKYHFLP-YRNVUSSQSA-N 480.181 5.990 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)c1nc2ccccc2[nH]1 9327466 KRHFEPNXCQSQCX-GZTJUZNOSA-N 464.750 6.622 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 16399915 VAERJMLVQLBDNT-LICLKQGHSA-N 496.292 5.621 50 40 JKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)c1 16735949 FWADFKCRJIIOHH-CYVLTUHYSA-N 468.944 6.055 50 40 JKGB COc1cccc(/C(C)=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)c1 19833202 MWQOWXNNYWKIEL-QRQIAZFYSA-N 479.005 5.379 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 33439051 JURZNYVFVVCDQD-YVLHZVERSA-N 483.293 6.148 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 59281741 DSUGFZILUJLMCB-LICLKQGHSA-N 468.296 6.026 50 40 JKGB CCCCCCCCCC/N=C/c1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1C(=O)O 100025567 RMGCPMDIKUVGHV-NLRVBDNBSA-N 454.523 6.072 50 40 JKGB COC(=O)c1cc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc(C(=O)OC)c1 100870260 JMSJBHJCKWLWER-KGENOOAVSA-N 475.570 5.558 50 40 JKGB O=C(O[Si](Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1)N(CCCl)CCCl 195751861 JTDNLKAXGUMKOH-UHFFFAOYSA-N 486.515 6.194 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 207151640 WQQOAIVAZVZLBJ-KGENOOAVSA-N 491.385 6.281 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3ccccc3Br)cc21 223502224 HRVLFVDQWFQFAQ-VULFUBBASA-N 454.412 5.932 50 40 JKGB Cc1c(/C=C(/C#N)c2ccc(C(=O)O)cc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 408541174 FDWRXOGRJHMHPX-NDENLUEZSA-N 461.348 7.067 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1C#N)c1ccc(C(=O)O)cc1 408542909 OOPAOLATJJJBHS-NHDPSOOVSA-N 459.299 5.662 50 40 JKGB Cc1cc2nc(/C(C#N)=C\c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)[nH]c2cc1C 408543253 NRDSNTHVGVADKI-BOPFTXTBSA-N 460.946 6.957 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)NNc3ccccc3OCc3ccc(Cl)cc3)CC2=O)cc1C 408613227 ZVOXHCHDHACDGC-HXUWFJFHSA-N 463.965 5.032 50 40 JKGB O=C(O[C@H](C(=O)c1ccccc1)[C@H](Br)c1ccccc1)c1ccc(Br)cc1 408688212 WNGUPILGSMHKRV-CTNGQTDRSA-N 488.175 5.994 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1 408744025 JEKBFTVAIPEPAP-UNOMPAQXSA-N 481.777 6.536 50 40 JKGB CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Br 408752321 DIQMZNUEZWXJEV-SDQBBNPISA-N 484.575 5.809 50 40 JKGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 408752792 CFRLAQOSCJVNAW-CCVNUDIWSA-N 460.839 5.271 50 40 JKGB CC(C)NC(=O)/C(C#N)=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 408785000 WRETXYGLNANRED-JJIBRWJFSA-N 465.984 6.896 50 40 JKGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OCC 408788491 KKBBSQKXOFYNHA-WOJGMQOQSA-N 455.352 5.575 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC 408824330 GUIPOFQRAOAYFR-RCCKNPSSSA-N 476.960 6.262 50 40 JKGB O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1cc2ccccc2o1 408844855 IUZWEDKJTWRETI-PPDIBHTLSA-N 473.743 6.736 50 40 JKGB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3F)c2C)cc1 408860779 DYRKELKYPHTLQS-CJLVFECKSA-N 459.521 5.736 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OCc2cccc(Cl)c2)c1 408870355 WBFOUJLTOJWAMD-WOJGMQOQSA-N 486.877 6.492 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1OCc1ccc(Cl)c(Cl)c1 408878820 BOICUIQRGXBPFA-SFQUDFHCSA-N 487.770 6.780 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Cc2ccccc2Cl)c1 408879331 FCCNFXKWRUVZTR-XDHOZWIPSA-N 481.777 6.248 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cc(C)cc(C)c3)ccc3ccccc23)cc1 408886120 IDRSWOIVPIIYAR-JJIBRWJFSA-N 462.549 6.590 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccccc1F 408888479 VVRWZHZHICKQEO-YBFXNURJSA-N 461.449 5.176 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408900869 YHIRDGZQACQZIU-GZTJUZNOSA-N 468.296 6.026 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1 408956902 RPZZRXKTFCRKNI-CFRMEGHHSA-N 488.179 5.555 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)c(F)c1 408963766 ASELTEIXAXPDIO-WKULSOCRSA-N 468.444 5.102 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)C(=O)Nc1ccc(F)cc1 408997347 NVXFLERNCRIJIF-AQTBWJFISA-N 498.295 5.555 50 40 JKGB CCCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc(-c2ccccc2)cc1 409019998 LJZUEDFFIKUWOR-COEJQBHMSA-N 452.554 6.215 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)NCc1ccccc1 409058194 SBUGESNWDXPLQG-DJKKODMXSA-N 471.771 6.449 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OCC)c1OCc1ccc(C)cc1 409071912 QNSUWSUCLRYBAO-LFVJCYFKSA-N 450.538 6.907 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OCC)c1OCc1ccccc1F 409075866 YRTCKSGFPKUTKN-XQNSMLJCSA-N 456.517 6.078 50 40 JKGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2cccc(C(F)(F)F)c2)cc1 409220377 YFZMYNKQSVPAJX-QDTIIGTASA-N 476.838 5.351 50 40 JKGB N#C/C(=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1 409222719 DQIZSJLKOLAAPU-BOPFTXTBSA-N 499.876 5.922 50 40 JKGB N#C/C(=C/c1cc(Br)c(Br)o1)C(=O)Nc1cccc(C(F)(F)F)c1 409236760 HHGUXMYLKDKEHR-YWEYNIOJSA-N 464.035 5.369 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)c2ccc(I)cc2)cc1OC 409370921 DRTNIVCFKSQHAJ-ZSOIEALJSA-N 484.131 5.525 50 40 JKGB CSc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)cc1 706069 DDQDOZIRAIJXCM-OAQYLSRUSA-N 455.505 5.732 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1CSc1nc2ccccc2s1 2080805 YPLFPYCWLWZXPU-DHRITJCHSA-N 451.548 5.500 50 40 JKGB CC(C)(C)c1cc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)cc(C(C)(C)C)c1O 3112061 SVVVELVMGQVLKR-MUFRIFMGSA-N 495.461 6.596 50 40 JKGB O=C(NNc1ncc(C(F)(F)F)cc1Cl)Nc1sccc1OCc1ccc(F)cc1 3118816 KOIRZJZTHOXTDH-UHFFFAOYSA-N 460.840 5.682 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OC(=O)c1ccc(C)cc1 9113050 XQWPXNAXXCXUDD-FDAWAROLSA-N 481.552 5.328 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1ccc(C(F)(F)F)cc1 9292490 WQVMUUCCRJHMNS-QFIPXVFZSA-N 488.469 5.893 50 40 JKGB O=C(N/N=C/C=N/NC(=O)c1sc2ccccc2c1Cl)c1sc2ccccc2c1Cl 9905679 BWQDRFSGOPOVRH-WDBPGAOMSA-N 475.382 5.554 50 40 JKGB Cc1ccccc1C[C@H]1S/C(=C(/C#N)C(=O)Nc2ccccc2)N(c2ccc(F)cc2)C1=O 9909838 DQIJHBIGHDDAGB-YMGIJWJESA-N 457.530 5.199 50 40 JKGB CCOc1cc(C(=O)N/N=C/c2ccc(N(CC)Cc3ccccc3)cc2)cc(OCC)c1OCC 12563935 OGPDDHDEKYVJIN-TWKHWXDSSA-N 489.616 5.673 50 40 JKGB C[C@@H]1C/C(=N\NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CC(C)(C)C1 12616988 BOOYDRRVDPILMU-TZBHCYISSA-N 492.439 5.182 50 40 JKGB N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 13769106 CXLDKRGMOTWJPM-FNBPXTNNSA-N 461.493 5.030 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 14358947 IPHNMFUGEFXZSA-VVEOGCPPSA-N 485.893 6.389 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 16691726 UIAMRVWSNUKMCA-LGMDPLHJSA-N 497.429 6.350 50 40 JKGB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)N/N=C/c1cccc2ccccc12 16789679 KNVWXGLDKLBLAC-MUFRIFMGSA-N 498.999 5.378 50 40 JKGB C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2C)c1ccc(OC(F)F)cc1 22741284 VWAJEBWXEPGYIB-VFLNYLIXSA-N 483.906 5.353 50 40 JKGB COc1ccc(-c2cc(C(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)c3ccccc3n2)cc1OC 24751194 ULJYUKDTHPKNHT-UHFFFAOYSA-N 499.611 5.287 50 40 JKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccccc3)c2C(=O)OC)cc1 27562920 HLDOQGVBKAJIDO-HMMYKYKNSA-N 460.555 5.926 50 40 JKGB C=C(CO)[C@@H]1CC[C@H]2[C@]3(C)CC[C@H]([C@H](C)CC/C=C(\C)C=O)[C@@]3(C)CC[C@]23C[C@]13CCC(=O)O 39145699 IOFXIXOKOAYADV-ICQJXUMVSA-N 470.694 6.580 50 40 JKGB biogenic CCOc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1OCc1cccc2ccccc12 58871198 AQNCRIQDOFBMIR-TWKHWXDSSA-N 452.554 5.900 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1F 59536360 ZEHLSUYDBKYJDX-XDHOZWIPSA-N 465.322 6.021 50 40 JKGB Cc1sc(-c2ccccc2)nc1-c1ccc(/N=C\c2ccc(N(CCCl)CCCl)cc2)cc1 104087911 AAFHABKFHLSVLJ-FSGOGVSDSA-N 494.491 7.820 50 40 JKGB Cc1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 229854075 YQDGDAILSZLFGK-RBZNUJCTSA-N 495.988 6.850 50 40 JKGB CCOc1cc(/C=C(\C#N)C(N)=S)cc(Br)c1OCc1ccc(Cl)cc1 408542574 JTLMUEDNXKGCSD-VGOFMYFVSA-N 451.773 5.273 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(OC)ccc3ccccc23)c(C(=O)OCC)c1C 408546713 NQMPIGKZRDDUMS-QGOAFFKASA-N 491.565 5.291 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)c2C)cc1Cl 408746075 QPOQIEGBRNPODA-PDGQHHTCSA-N 463.921 5.088 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 408792676 BJNKHMKYUTZEQY-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1cccc(Cl)c1 408794659 AKALBKDVDBIIGM-CAOOACKPSA-N 487.770 6.780 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OCc2cccc3ccccc23)c1 408819031 WJJQIKHBJUQKOP-PXLXIMEGSA-N 468.940 6.626 50 40 JKGB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccc(O)cc4)cc3)sc2c1 408843724 MVTUDMAZVNSLIZ-LGJNPRDNSA-N 463.946 5.585 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1 408889431 GTRMEHMNNSJICA-LUOAPIJWSA-N 498.193 6.652 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1OCc1cccc2ccccc12 408898145 UZDFKHUHLQURBA-ZCTHSVRISA-N 460.533 6.345 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c1OCc1ccc(Cl)cc1Cl 408926319 XASZDLZIHXLFJD-WOJGMQOQSA-N 497.334 5.825 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)c(F)c1 408966113 JYHAGFNAJUNHTL-XKJRVUDJSA-N 467.287 5.219 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409072432 RXUVHTBQBOBESM-XMHGGMMESA-N 496.972 5.361 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OCc1cccc2ccccc12 409142745 DCQRITMGBUEGPA-ZOODIOSSSA-N 454.526 5.001 50 40 JKGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2ccccc2)cc1 409226058 RQFSBCLFBUUMKP-YKQZZPSBSA-N 497.938 5.575 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 654753 RWUKBJMPVNWTNA-QFIPXVFZSA-N 479.920 5.278 50 40 JKGB CC(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)C3=C(O)CCCC3=N2)c1 1288034 HJOVCSBDSFJUMI-RUZDIDTESA-N 471.582 5.839 50 40 JKGB CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 1782679 RGCJZTVRBPPIMB-AJBULDERSA-N 466.581 6.094 50 40 JKGB Cc1ccsc1/C=N/NC(=O)CSc1nnc(SCc2ccccc2Cl)s1 2321455 LRLUJRBANKXICI-UFWORHAWSA-N 455.055 5.096 50 40 JKGB Cc1c(C(=O)O)cccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)o1 2936406 VRRSGJQZLXRSOJ-SDNWHVSQSA-N 451.276 5.261 50 40 JKGB Cc1cc(C)c([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1CSc1cc(Cl)ccc1Cl 8416733 HRTKPJKPKJFCGQ-NRFANRHFSA-N 471.413 6.152 50 40 JKGB C/C(=N\NC(=O)c1nn(Cc2ccc(Cl)cc2)cc1Br)c1ccc2ccccc2c1 8780706 GYPBIOZQNDVWEB-CVKSISIWSA-N 481.781 5.655 50 40 JKGB CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccs3)cs2)sc2c1CC[C@H](C(C)(C)C)C2 9460871 PYTWTARSTCUOFC-MDJJKAFGSA-N 497.711 7.237 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12 13388050 QEFGDOSLQBXBNP-PXLXIMEGSA-N 479.492 5.881 50 40 JKGB CC(C)(C)c1ccc(OCCn2cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c3ccccc32)cc1 15931726 AKGNNEXWRPEZRC-MXTHXHGZSA-N 471.601 5.220 50 40 JKGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1nc(O)c2ccccc2n1 16734843 YBLBMMHXPKJWGD-RGEXLXHISA-N 455.477 5.998 50 40 JKGB CCCCCCSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2OC)=C(C)N1 19830694 MPAFKLHDTCQSIB-QHCPKHFHSA-N 451.592 5.936 50 40 JKGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 20060045 VNUZDDBDPHZTQX-NHFJDJAPSA-N 484.021 5.001 50 40 JKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 20244119 GWPHZISLAAQHKK-LQKURTRISA-N 463.965 5.419 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 28630565 BWQOSRIAQOLFES-RHANQZHGSA-N 499.523 5.811 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1sc2c(c1C#N)CCCC2 33491719 YTDQOGNXOVHNRK-CPNJWEJPSA-N 484.537 5.531 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccccc2Cl)cc1)C(O)(c1ccccc1)c1ccccc1 33560360 AFQAIZHFBVHQAQ-FSGOGVSDSA-N 470.956 5.305 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)cc1Br 35352025 VDPFQKGGLPXDDY-OGLMXYFKSA-N 489.369 5.404 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1 35494305 RHKHSUKEKJMUMT-ZMFRSBBQSA-N 492.200 6.028 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(C)cc1 59224755 HDAMXCYGHRMBAY-KOEQRZSOSA-N 462.549 6.672 50 40 JKGB CC(C)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(CC(C)(C)CC3=O)N2)cc1 85846234 WEPDDVLQCQVJMX-XMMPIXPASA-N 491.682 6.309 50 40 JKGB CC1(C)[C@]2(C)CC[C@]1(C(=O)N(Cc1ccccc1)Cc1ccccc1)[C@H](Br)C2=O 100814694 FPPROZSUXDYSBL-NIJXNBFTSA-N 454.408 5.374 50 40 JKGB Sc1oc(Cc2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102618759 GSMNYERTGFRKAB-UHFFFAOYSA-O 452.539 5.174 50 40 JKGB O=C(O)c1nc(-c2ccccc2)sc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 104407248 SRYRAFZPFOEDJF-UHFFFAOYSA-O 466.522 5.128 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1Cl 408540451 SABOCQHDTSGRDE-QRQIAZFYSA-N 457.401 6.799 50 40 JKGB CCOc1ccc(CC(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)cc1 408711978 TWTDBBKXXQEFDM-QQXSKIMKSA-N 467.363 5.120 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 408753068 LGIRFXKBEAASAA-LDADJPATSA-N 481.335 6.157 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccc(F)cc1 408772004 KQWGKAAYRMMDAB-QNGOZBTKSA-N 459.521 5.415 50 40 JKGB Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 408776384 NKXFHTAHOUGZSA-MZJWZYIUSA-N 482.005 5.049 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(C)c3)ccc3ccccc23)cc1 408802192 YJYGUKCLWWCBKT-JJIBRWJFSA-N 476.532 6.060 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)c(Cl)c3)o2)cc1 408827093 UOZKODMNNCWRRY-YBEGLDIGSA-N 471.738 5.594 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OCc1ccc(Cl)cc1Cl 408883965 VKOYIJYIDXQQIH-VCHYOVAHSA-N 497.334 5.825 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Cl)c1)C(=O)Nc1ccccc1F 408892259 YHTDDFASHSLQSV-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 408909137 GNBNFQGIJHQCJM-QRGYCXFASA-N 495.579 5.226 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C)c1C 409032345 ISZPBWJYXMCULY-MZFJOGFUSA-N 472.592 6.690 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1OS(=O)(=O)c1ccccc1 409065112 HMHUWSICNKYYFL-HMMYKYKNSA-N 471.538 5.132 50 40 JKGB Cc1c(/C=N/NC(=O)Cc2ccccc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 409219314 PKVBCRLVHMTWEZ-RWPZCVJISA-N 450.369 5.998 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Br)cc1 409223415 HPENCNMPUYAVES-CPNJWEJPSA-N 490.357 5.321 50 40 JKGB Cc1ccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)c2)cc1 409224715 MBIKZQAORVZFLP-UHFFFAOYSA-N 477.520 5.230 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(Br)cc1 8860754 SAFCMJIUWCITBM-CJLVFECKSA-N 483.365 6.727 50 40 JKGB CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3c(=O)[nH]2)c1 9454036 UVHBAUDLXYCFHA-OQKWZONESA-N 487.563 6.019 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OC(=O)c1cccc2ccccc12 12590198 VHFAJFFKPPDMLK-HMMYKYKNSA-N 466.468 5.752 50 40 JKGB C=CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)N/N=C(\C)c1ccc2ccccc2c1 13882035 WQXCHYIRRZTZET-GBZINIMXSA-N 485.613 5.217 50 40 JKGB Cc1ccccc1NC(=O)N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 33703876 AUDLZJMKKFDECX-JJFYIABZSA-N 464.772 6.311 50 40 JKGB COc1ccc(P(=Nc2cc(Cl)ccc2Cl)(c2ccccc2)c2ccc(OC)cc2)cc1 102138282 WIASKWVHKWOSNG-UHFFFAOYSA-N 482.347 6.820 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(C(C)C)c4ccccc34)o2)cc1 107579310 YHTMQHKWMIZEMB-LJUMEUDFSA-N 494.595 6.566 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1cccc(C(=O)O)c1 408542907 OOCFSVXZBMJCEN-ZDLGFXPLSA-N 495.304 5.411 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1cccc(F)c1 408549738 XYTKIGMUOHJGJB-KSEXSDGBSA-N 488.356 7.393 50 40 JKGB N#C/C(=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)c1nc2ccc(F)cc2[nH]1 408568168 IEUKJSMLKBXWIY-UYRXBGFRSA-N 464.456 6.407 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1 408579175 DCRICMGPMJFFPI-MHWRWJLKSA-N 487.770 6.737 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1cccc2ccccc12 408756443 ZKQYJUNHDOBXGI-CAPFRKAQSA-N 463.449 5.513 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1 408793155 DEXSJIILHWPVIV-LPYMAVHISA-N 475.386 6.499 50 40 JKGB CCCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 408826090 KPAIORMVPNSDLD-RCCKNPSSSA-N 476.960 6.262 50 40 JKGB CCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 408844475 JIEUVLZDWSHRHU-QXPFVDMISA-N 473.576 6.769 50 40 JKGB Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1 408865260 CKJZISVYSUIUFM-WSDLNYQXSA-N 493.832 7.164 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3cccc(F)c3)c(OC)c2)cc1 408866014 FWYNMQKECCSHIZ-RGVLZGJSSA-N 493.376 6.296 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3ccccc3F)c(OC)c2)cc1 408874075 YCMAWSOFPKFYRG-WOJGMQOQSA-N 450.897 5.633 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Br)cc1C 408883243 SEVOVKASDGPHPL-KGENOOAVSA-N 461.359 6.191 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(Br)cc1 408895968 OPRXJYGSNNAPAY-LQKURTRISA-N 489.369 5.954 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Br)cc3)c2)c1C 408942284 YVHUYQHYVZQFBP-BKUYFWCQSA-N 461.359 6.191 50 40 JKGB O=C(N/N=C\c1cc(Cl)cc(Br)c1O)c1cc(-c2ccccc2)nc2ccccc12 409043124 ZQTNOSBRSUQVCL-ZMFRSBBQSA-N 480.749 5.787 50 40 JKGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)=C2C#N)cc1 409323340 NITZYPLESBXLBU-OAHLLOKOSA-N 495.910 5.078 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OCC 409334423 LKJASWFFINFVKD-NTFVMDSBSA-N 482.964 5.489 50 40 JKGB O=C(Oc1ccc([N+](=O)[O-])cc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccccc1 409410304 UYWZTBRLXJKYKU-UHFFFAOYSA-N 490.475 5.073 50 40 JKGB Cc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)NNC(=O)Cc3ccccc3)c2C#N)cc1 852493 ANCUBRKUOLCOGD-UHFFFAOYSA-N 492.604 5.078 50 40 JKGB ClCCN(CCCl)CCN1c2ccc3ccccc3c2Sc2ccc3ccccc3c21 1693848 MZMMJOYYYNRFCU-UHFFFAOYSA-N 467.465 7.375 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1c(Cl)ccc(Cl)c1Cl 1808579 JPDQTEDVUILIOC-XNTDXEJSSA-N 493.173 7.592 50 40 JKGB CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3)NC3=C2C(=O)CCC3)cc1 2312192 JBBYWSYZZVMFAO-VWLOTQADSA-N 473.598 5.195 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OC(C)C)nc3ccccc23)cc1O 2762485 JMFVSBVBOOLXHS-LQKURTRISA-N 455.514 5.167 50 40 JKGB Ic1ccc(SSc2ccc(I)cc2)cc1 4802693 HABDEXOINBJHPA-UHFFFAOYSA-N 470.138 5.695 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)c1nnc(N2CCOCC2)n1-c1ccccc1 9090866 JWZPHVOYIINYRZ-LYBHJNIJSA-N 486.579 5.171 50 40 JKGB COc1ccc2ccccc2c1[C@H]1CC(=O)N2CN(c3ccc(C)c(Cl)c3)CSC2=C1C#N 12251003 PCIWKFTZOJSSIP-FQEVSTJZSA-N 476.001 6.030 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccs2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 14134808 DGBWLBOKGTUHSE-YSURURNPSA-N 469.777 6.060 50 40 JKGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 34851406 PEVUIKZFKCNTCB-LGJNPRDNSA-N 456.329 5.295 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1 35147837 ZKPBSWPQZNOTKB-ZDLGFXPLSA-N 469.722 6.654 50 40 JKGB N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)cc3Cl)ccc2[C@@H]1c1c(F)cccc1Cl 38680260 RNOCRGFSPUQWEU-FQEVSTJZSA-N 489.717 6.223 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)c(C)c1 59201768 CBWMUHYMNYPRIZ-KGENOOAVSA-N 461.359 6.191 50 40 JKGB C#CC1(N[C@H](c2cc(Cl)cc(Cl)c2O)P(=O)(c2ccccc2)c2ccccc2)CCCCC1 95677113 WQAPWRHURZVELW-SANMLTNESA-N 498.390 6.637 50 40 JKGB COc1cc(Br)c(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1OC 98086641 QCPDXEMDQFPAGL-WYMPLXKRSA-N 453.292 5.130 50 40 JKGB O=C(N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccc(Br)cc1 101661244 IDLIJQWRJWUNFO-ZZIIXHQDSA-N 484.353 5.283 50 40 JKGB CCCCCCCCOc1ccc(Br)cc1/C=C(\C#N)c1ccc(Br)cc1 108134458 YPDPUUTXYWXAHK-HMMYKYKNSA-N 491.267 8.015 50 40 JKGB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)C(Cl)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 123226628 FAKDDMAOMPFPIR-MBWPNSNWSA-N 499.607 8.823 50 40 JKGB COc1cc(/C=C/C(=O)Cl)cc(I)c1OCc1ccc(Cl)cc1 226336275 AUSFNKUPDUNYAZ-QPJJXVBHSA-N 463.098 5.311 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccccc1C(C)C 408541451 AWSZJTCRTYOFDX-HMAPJEAMSA-N 494.595 6.393 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1)c1nc2ccc(F)cc2[nH]1 408570327 UCYZBWDQNOXVOF-IUXPMGMMSA-N 492.304 5.806 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1nc2ccc(F)cc2[nH]1 408570533 WLRCDJGUWJGKTI-SXGWCWSVSA-N 482.740 6.761 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccccc1 408677008 OKLCCFYKXRDGNP-RDRPBHBLSA-N 477.992 5.682 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1-c1cccc2ccccc12 408724006 CDNTVAYRUVXDMS-UXHLAJHPSA-N 464.956 6.418 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccccc1 408725298 KNIUMEIRGDKSEX-UNOMPAQXSA-N 493.357 5.678 50 40 JKGB N#C/C(=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1nc2ccccc2n1Cc1ccc(Cl)cc1 408729482 GCCPGDAAYHJVDB-CXUHLZMHSA-N 475.848 5.324 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)cc1 408742577 AYPXJWNCRLZSKB-JCMHNJIXSA-N 457.530 5.134 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1cccc(F)c1 408744009 JDBWFPXULRKCRR-ODLFYWEKSA-N 495.348 6.030 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(F)cc1 408744341 KPIAILAXESTTDA-ODLFYWEKSA-N 495.348 6.030 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc2c(c1)OCO2 408762486 BMHNQDXYXIJGSE-MFOYZWKCSA-N 464.319 5.131 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1 408797401 RRRIYZNHRYEVEF-XDHOZWIPSA-N 477.314 5.272 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(Cl)cc4Cl)cc3)cs2)cc1 408840474 BMIDLMZDCMDPMA-UVHMKAGCSA-N 481.408 6.933 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(N3CCCCCC3)o2)cc1 408848404 UPJHYPQNXLQXNK-OFWBYEQRSA-N 466.585 6.190 50 40 JKGB N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccccc1Cl 408869579 PYZWMXWWPVRLPI-WOJGMQOQSA-N 469.741 6.378 50 40 JKGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1)c1ccc(Cl)cc1Cl 408900174 TWQXSMQIGFWVGW-KBKYJPHKSA-N 468.167 6.643 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 408953397 WDWNFGUGPDQJHZ-COEJQBHMSA-N 489.535 5.916 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccccc1OCc1cccc2ccccc12 408987219 FDNSROAMTBFEEY-KQWNVCNZSA-N 452.941 6.926 50 40 JKGB CC(C)(C)c1cc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)cc(C(C)(C)C)c1O 409010427 KLKNGWFAEXCMHV-LUOAPIJWSA-N 485.839 6.477 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1cccc(C(=O)O)c1 409040441 XTMCUPCVBICOJR-MNBJERMJSA-N 488.547 5.771 50 40 JKGB C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C 409041107 IJBOBMVBYJGCPP-CXUHLZMHSA-N 488.179 5.386 50 40 JKGB O=C(COc1ccc(Cl)cc1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 409117913 RNZPHNZOFJTGIJ-MSXFZWOLSA-N 476.341 5.582 50 40 JKGB Cc1[nH]nc2c1[C@H](c1cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c1)C(C#N)=C(N)O2 409148977 VHHAVWJHJIZHNH-GOSISDBHSA-N 461.736 5.476 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(Cl)c(C(=O)O)c4)c3C)cc2c1 409186948 KAZMZGBHVGTVCJ-WKIKZPBSSA-N 479.920 5.355 50 40 JKGB O=C(N/N=C\c1cn(CCOc2ccccc2)c2ccccc12)c1ccc(Br)cc1 409213739 QODLLLDSAPGBEA-QQXSKIMKSA-N 462.347 5.247 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 409248342 PYVSBZXJCPVNBY-VFOSSOBBSA-N 460.961 6.020 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1 409254891 YFXAYBNVISHGAH-WKIKZPBSSA-N 470.356 5.392 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1cccc(F)c1 409394030 UPQADDSKMYKPAI-SOFYXZRVSA-N 467.154 8.082 50 40 JKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1OC 1905956 MBMNCIFODPLMNF-YBFXNURJSA-N 482.005 6.120 50 40 JKGB COc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3C)C2=O)cc1 2193599 CFQJYWXORZVTIG-IDJUBOEBSA-N 483.593 5.377 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)cc1 3644290 ZBVDGTMFEDDFRA-RCCKNPSSSA-N 464.525 5.266 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC(C)(C)C)=C(C#N)[C@H]1c1sccc1C 20348236 XPYVITOHLGBGQI-HXUWFJFHSA-N 495.670 5.101 50 40 JKGB N#C[C@@H](c1ccccc1OCc1ccccc1)N(C(=O)CCCCl)c1cccc([N+](=O)[O-])c1 26895998 SESQTWVOSDYOTJ-QHCPKHFHSA-N 463.921 5.791 50 40 JKGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1C 28216853 PKMGXZZIUNBHMF-BIZUNTBRSA-N 476.624 5.725 50 40 JKGB CC(C)OC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 40476982 GKQKQOYYSUONFN-LFIBNONCSA-N 458.370 6.659 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 59117075 FDMLWJMDFJYEIA-WQRHYEAKSA-N 453.325 6.127 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(Cl)c1 59117512 RZDWZZDFXKPRKA-RQZCQDPDSA-N 487.770 6.780 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 59224766 AXEMLAGBVKMTLK-CIAFOILYSA-N 495.406 7.134 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1cccc(Cl)c1 59296974 VFNQCLFDQDCETC-YBFXNURJSA-N 467.352 6.435 50 40 JKGB COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(/C=N/NC(=O)c2ccc(Cl)cc2)c1 59417192 JPQZGBRJHPOZTD-KKMKTNMSSA-N 493.825 5.832 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1Cl 59536167 ZZONUXWIWGYELX-ZDLGFXPLSA-N 455.297 6.553 50 40 JKGB Cc1c(Cl)cccc1-c1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)o1 59596793 GACORMDZQAHPOA-WKULSOCRSA-N 469.928 5.527 50 40 JKGB C/C(CC(=O)Nc1cc(Cl)cc(Cl)c1)=N\NC(=O)COc1ccc(Cl)cc1Cl 100059464 WVCATFRVSLKMRN-YSURURNPSA-N 463.148 5.200 50 40 JKGB CCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(Br)cc2)cs1 100843645 KNKYAAQVBHTPPN-QINSGFPZSA-N 454.349 5.726 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccccc1F 107709967 WLTQBGHSJBAADH-FMCGGJTJSA-N 488.356 7.393 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc2ccccc12)c1ccc(Br)cc1 408581057 TXEYBAOXRDXMPI-HYARGMPZSA-N 474.785 7.899 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1OC 408582658 OOMPBQHZJHOHQN-VXLYETTFSA-N 497.378 6.401 50 40 JKGB CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OCC 408725564 LZRCLCXEXDAMLF-WQRHYEAKSA-N 457.368 5.799 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1 408793877 QTWVYRXKWPBASM-KOEQRZSOSA-N 485.543 6.175 50 40 JKGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3ccc(C)cc3)cc2)cc1 408838500 FVAXWOHJVXBQNV-ZCTHSVRISA-N 491.547 5.539 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(C(=O)O)cc1 408897553 YBCIDPWITYWHNO-WOJGMQOQSA-N 467.308 5.816 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408897693 ZJYBDQPKWXLTGR-CPNJWEJPSA-N 497.894 6.166 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OC(C)C 408936204 FTWHJHHTMQTHPB-RMORIDSASA-N 465.731 5.408 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1Cl 408983576 MKXZCWQJYWUYIX-MFOYZWKCSA-N 458.776 6.908 50 40 JKGB N#C/C(=C\c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 408988034 CHUBVOFGEOLTHE-XNTDXEJSSA-N 492.969 6.555 50 40 JKGB Cc1c(/C=N\NC(=O)COc2cccc3cccnc23)c2ccccc2n1Cc1ccccc1F 409022730 QRZOAVOSLXKJQO-ACXHZZMFSA-N 466.516 5.214 50 40 JKGB O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)c1cc(-c2ccccc2)nc2ccccc12 409050562 WZQKRXAWROSXME-RHANQZHGSA-N 451.913 6.579 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OCC)c1OCc1cccc(Cl)c1 409070558 CDNIYKVZSZUCBR-BUVRLJJBSA-N 486.999 6.900 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCc1c(F)cccc1Cl 409193546 GGEYLMWZEAQIFK-AMUFHYMTSA-N 465.912 5.214 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 409364821 MIQWWVUHYHPWGL-VFLNYLIXSA-N 490.362 5.672 50 40 JKGB Cc1c(Br)cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1Br 409392009 MUJFJUOXMJZMGF-QFEZKATASA-N 486.207 5.802 50 40 JKGB Cc1cccc(N2C(N)=C(C#N)[C@H](c3cc(Br)cs3)C3=C2CC(C)(C)CC3=O)c1 705445 STQDPUJAXSKFMO-HXUWFJFHSA-N 468.420 5.760 50 40 JKGB C[C@@H](Br)[C@H](OC(=O)c1ccc(Cl)cc1)c1cc2c(cc1Br)OCO2 1614636 NARJJTBWXGTBFG-ABKXIKBNSA-N 476.548 5.513 50 40 JKGB O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)c1 2031417 NVDYYQCHEGTMPE-UHFFFAOYSA-N 484.420 5.608 50 40 JKGB COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(Cl)c3)n2-c2ccc(C)cc2)cc1 2219046 YNPNBLRKBPRXJJ-JFLMPSFJSA-N 492.004 5.147 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc(C(C)=O)c1C 2422302 ZCHMIXXIVRIPPC-DHDCSXOGSA-N 481.555 5.265 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)ccc1O 2553566 CDUGWVOJSPFCOL-MKMNVTDBSA-N 460.342 5.301 50 40 JKGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 6475076 LZFFRNGNFPHQNL-KBVAKVRCSA-N 495.966 5.537 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C 9259683 AJEAHSWXDJJSOT-YBFXNURJSA-N 475.017 6.414 50 40 JKGB CCn1c(SCC(=O)N/N=C(\C)c2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1 9762350 JXXGKWAZGPHVJL-WYMPLXKRSA-N 482.824 5.558 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 20197340 GOMYCWPCLWIYLT-JVWAILMASA-N 497.389 5.589 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1C 33382695 FCGCVFNFTWATFM-BRJLIKDPSA-N 482.949 5.643 50 40 JKGB C=CCc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(OC)c1OCc1ccc(Cl)cc1 33429801 YJDZYTPWQPMHEK-NTFVMDSBSA-N 493.947 5.257 50 40 JKGB N#C/C(=C/c1cc2ccccc2nc1N1CCCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl 96669412 DHFJTVGYSVGYDZ-UYRXBGFRSA-N 472.397 5.870 50 40 JKGB CC(C)CCC[C@H](C)[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 118935256 DHZKAQAKUFROMZ-GQPGBNHUSA-N 465.560 8.050 50 40 JKGB CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(I)c1OC 408598948 LUJMGVLOTZEZDR-MDWZMJQESA-N 477.327 5.232 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 408600156 WAMUOIBIKCHMKV-ZCTHSVRISA-N 494.595 6.731 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc(Cl)cc3)cc2-c2cccc3ccccc23)c1 408724557 LVKKVLUIHVVKSO-UXHLAJHPSA-N 464.956 6.418 50 40 JKGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1ccc(Br)cc1 408743597 HBCVNWDBWSEKSQ-XFXZXTDPSA-N 472.682 5.816 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408745000 IWPVTFJRAUDECE-WQRHYEAKSA-N 483.351 6.135 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccccc1Br 408746743 GMIGVKRZMPAKCN-ATVHPVEESA-N 499.206 6.165 50 40 JKGB N#C/C(=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)Nc1ccc(Cl)cc1 408761807 LRJKDJXDWVRMPR-QNGOZBTKSA-N 488.952 5.807 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1cccc2ccccc12 408775729 JKKZJAPGEWPLMW-MTJSOVHGSA-N 493.401 6.012 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)c1C 408794313 ITQLTIIFJFRRMN-UDWIEESQSA-N 495.804 6.844 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1 408794358 ICVGWIPPRCQQPM-LFVJCYFKSA-N 466.968 7.180 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)c1 408810208 JEOQPGDGWNCUGK-BUVRLJJBSA-N 466.968 7.235 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cc(C)c(OCc3ccc(Br)cc3)c(C)c2)cc1 408857500 HHZFPNNHTAXZJK-VULFUBBASA-N 467.363 5.417 50 40 JKGB Cc1cc(Cl)ccc1N(CC(=O)NN=C1CCCCCCC1)S(=O)(=O)c1ccccc1 408863136 PJYACUSAGZCBHR-UHFFFAOYSA-N 462.015 5.060 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(OC)c2)cc1 408872018 JCHDGZGNJPIKKL-HYARGMPZSA-N 474.944 5.662 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408880149 GCQHZENPEDOEJN-DEDYPNTBSA-N 479.349 6.275 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1c(Cl)cccc1Cl 408891438 QMUADKFQTHUYBJ-XYOKQWHBSA-N 452.124 7.106 50 40 JKGB CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)Nc4cccc(Cl)c4C)o3)sc2c1 408989964 JOWGHMHAZUNESQ-RVDMUPIBSA-N 496.013 6.947 50 40 JKGB C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 409026766 XPCYMNZVDXPLRV-NHFJDJAPSA-N 484.021 5.001 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCC#N 409046527 RLLJMKLJPFBELE-LQNQUEJISA-N 484.943 5.620 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1Cl 409056191 KZTMICMKSCUMKP-KVSWJAHQSA-N 470.787 6.722 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409073652 WSRZFGVEGNAJHJ-KGENOOAVSA-N 467.481 6.116 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OCC)c1OCc1ccccc1F 409073911 NZLBHJQUDILHBO-PXLXIMEGSA-N 453.517 6.472 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccccc4F)c(OCC)c3)cc2c1 409188387 YVKZRDBXQFVFHJ-MWLSYYOVSA-N 476.504 5.712 50 40 JKGB N#C/C(=C\c1ccccc1Sc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 409241446 NILJZJPUAPFYNN-FOWTUZBSSA-N 458.892 7.056 50 40 JKGB COc1cccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3C)c(Cl)c2)c1 409248444 GPDNRJXEUCEALI-WKIKZPBSSA-N 486.355 5.092 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 409267360 UCJZJSJQCUWHIT-UVHMKAGCSA-N 452.341 5.769 50 40 JKGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(Cl)c3)=C2C#N)cc1Cl 409320967 DAYYOXGPKGYUHI-HNNXBMFYSA-N 476.385 5.021 50 40 JKGB COC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1Cl 1250417 AUWBKBAXTFMCHE-QHCPKHFHSA-N 482.005 5.198 50 40 JKGB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1 1959008 NQGAHUZGIJWIQP-LFIBNONCSA-N 471.365 6.444 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 3191041 CWNSFQDWSUDSKG-RUZDIDTESA-N 499.931 5.470 50 40 JKGB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)/C(C#N)=C/c4ccc(Cl)cc4)cc3)sc2c1 3262239 RXYBWLOYBQZSTL-CPNJWEJPSA-N 487.968 6.014 50 40 JKGB COc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Cl)c1OCCOc1ccccc1C 4207671 NZGLTNOWBBBIRQ-WGOQTCKBSA-N 453.926 5.270 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 9057459 XHXFBJVLXOIAFA-LDADJPATSA-N 478.302 5.482 50 40 JKGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C\c2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 9190707 LMOMHYRGEBOZBK-NTFVMDSBSA-N 467.610 6.135 50 40 JKGB O=C(N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)c1ccccc1Br 10060108 OSDSTVOXRNAUMV-NUGSKGIGSA-N 472.553 6.433 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1cccc2ccccc12 13939815 IZCNKPFRXBAOFV-CRYHJCRISA-N 456.542 5.020 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cccc(C(=O)O)c1 15013332 OMOWIIBOMCWSBJ-WOJGMQOQSA-N 464.319 5.101 50 40 JKGB CCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1OC 15133912 QRIHOUIEWYJTMT-AFUMVMLFSA-N 453.366 5.490 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1cccc([N+](=O)[O-])c1 17123063 DCUYKKUWIZVDRK-CIAFOILYSA-N 494.023 5.025 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1 20197999 INYBLLQVKDYECF-OGLMXYFKSA-N 466.965 5.870 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)cc1 20243693 IUXCVZUKDIHJDO-BRJLIKDPSA-N 490.854 6.061 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1cccc2ccccc12 33623221 QSLUGWOIBFEMQI-STBIYBPSSA-N 467.525 5.150 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccccc1Cl 33766153 JCSUXXVDLNBZAU-WQRHYEAKSA-N 486.768 7.283 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1cccc2ccccc12 34865623 UIPMZPKDBXLYKC-NTFVMDSBSA-N 490.002 8.688 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1cccs1 58871193 KQSYIRNCTDTWOG-LQKURTRISA-N 473.529 5.482 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)c1OCc1cccc(Cl)c1 96401939 SCLBRUSRSYIKHA-BOPFTXTBSA-N 479.876 5.087 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCc1ccc(F)cc1 408579597 IKFWKLBAFVNKPT-DEDYPNTBSA-N 452.323 6.630 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)c1 408744893 IAEAYBUFZHQUIW-GRSHGNNSSA-N 480.923 6.011 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2Br)c1 408747965 WIFRYSZDVCNGCO-NHDPSOOVSA-N 495.804 6.213 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(F)cc1 408794282 HYHMNELOUZNMHD-RQZCQDPDSA-N 481.867 5.521 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 408813071 DQZYIDTVYVAEGW-SFQUDFHCSA-N 451.320 5.250 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2n1Cc1ccc(Br)cc1 408817401 VRRFUTSJPFFOCD-DAPWMZFQSA-N 490.445 6.362 50 40 JKGB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2cc(Br)c(N3CCCC3)o2)c1 408848610 RWBHLUOTQHXWCL-UHFFFAOYSA-N 489.801 5.467 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2Cl)cc1 408888640 YFSCZWASQUVREK-RPPGKUMJSA-N 477.731 5.639 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)c1OCc1ccc(Cl)cc1Cl 408925667 SRNJZVPFTHSBPJ-GZTJUZNOSA-N 497.334 5.825 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1 408981228 VKGNYFGZDVWWQT-VKMIRQPFSA-N 468.557 5.017 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OCC)c1OCc1ccc(F)cc1 409070545 ZACWMWOXYAIQRT-PCLIKHOPSA-N 484.571 6.694 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccc(F)cc1 409196878 ZODWRBOFHXVRBK-YVLHZVERSA-N 473.342 5.142 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Cl)c2)ccc1OC 409319473 GVJRCCUZUWTIKU-VYYCAZPPSA-N 473.356 5.744 50 40 JKGB COc1ccc([C@@H]2CC(=O)NC(SCc3ccc(Br)cc3)=C2C#N)cc1Cl 409332268 KVASAOVWQFCONU-HNNXBMFYSA-N 463.784 5.383 50 40 JKGB CC(C)(C)c1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(C(C)(C)C)c1O 2301844 ITJPRLMGZPPKLF-LGJNPRDNSA-N 471.395 6.260 50 40 JKGB Cc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 8818426 ADHARROEILFLBF-PTNGSMBKSA-N 464.344 5.964 50 40 JKGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)c1cccc2ccccc12 8860872 KZCSAVVJPGJCMU-VUTHCHCSSA-N 480.545 5.525 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc(Cl)c(Cl)c1 9379637 IXIUJWSTMOVHQI-YUMHPJSZSA-N 496.423 5.874 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCCOc3ccc(C(C)(C)C)cc3)cc2)cc1 16157727 NNVAFJZKXQLERN-ZBJSNUHESA-N 470.569 5.996 50 40 JKGB Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)SCc3ccccc3)c2C)c1 20243841 MBEDAUURONMGQU-YMSFFTPVSA-N 484.463 5.937 50 40 JKGB N#C[C@H](c1ccccc1OCc1ccccc1)N(C(=O)CCCCl)c1cccc([N+](=O)[O-])c1 26896000 SESQTWVOSDYOTJ-HSZRJFAPSA-N 463.921 5.791 50 40 JKGB Cc1ccc(Sc2ccc(/C=N\NC(=O)c3cccc(Br)c3)cc2[N+](=O)[O-])cc1 32124645 VRAFVYBPGTXVRS-QRVIBDJDSA-N 470.348 5.581 50 40 JKGB CCCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 35327985 NKYOUOFZWZEVDF-RIYZIHGNSA-N 483.284 5.811 50 40 JKGB O=C(COc1ccccc1-c1ccccc1)N/N=C\c1cn(Cc2ccccc2)c2ccccc12 57476885 OKPIJOVXQCVNNE-DXJNIWACSA-N 459.549 5.886 50 40 JKGB O=C(CCl)Nc1ccc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)sc2c1 59489731 TUQOVGVOTZDVSW-UHFFFAOYSA-N 459.902 5.223 50 40 JKGB CCCCCCCCCCCCCCCC(=O)NNC(=O)c1c(O)n(C)c2ccccc2c1=O 136459179 CMLGCVCFEAEFIU-UHFFFAOYSA-N 471.642 5.486 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OC)c1OCc1ccc(C)cc1 408676528 KBYASOLEZKDAHG-AJBULDERSA-N 483.612 5.675 50 40 JKGB COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccc(C)cc2)n1 408724879 MOFYAZZVYIUGMD-NDZAJKAJSA-N 460.537 5.773 50 40 JKGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)c1C 408746772 GVCCNLIBPAKMRJ-UYRXBGFRSA-N 492.373 5.497 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1c(Cl)cccc1Cl 408788266 DHJYRUOOTXMPRL-UNOMPAQXSA-N 481.379 6.744 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(I)c1OC(C)C 408809872 SKMLSZQDBIVEIO-LICLKQGHSA-N 490.341 5.331 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1Cc1cccc(F)c1 408880132 DMXXUJWJAJHKRY-RQZCQDPDSA-N 483.312 5.872 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(C)cc1 408880306 JEIUPRBKAPEXII-LGJNPRDNSA-N 457.313 5.294 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2OC)cc1 408888392 VBIFXMLBKYIYPT-GZTJUZNOSA-N 497.334 5.775 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1OCc1ccccc1 408890849 HJXXKUUMSDXDMX-LDADJPATSA-N 463.877 5.381 50 40 JKGB O=C(COc1ccccc1Cl)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408911603 KIXNALCRYOFNSR-KVSWJAHQSA-N 486.786 6.179 50 40 JKGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(-c2ccc(F)cc2)o1 408977692 FFXIWWSVWUJXSO-FOBKEZNCSA-N 455.489 5.097 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2F)cc1 409038667 AMTXHKYFIAYUKS-VCHYOVAHSA-N 455.316 6.566 50 40 JKGB Cc1c(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccccc1Cl 409044593 WCPKAPVQQFJOJE-JFLMPSFJSA-N 460.921 5.252 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 409201864 OHJGUMQJIWEAKT-LUOAPIJWSA-N 497.806 6.607 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccc(C)cc1 409238108 CCAPXINIUPHFOL-MBTHVWNTSA-N 499.380 5.567 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(OCC)c1OCc1ccc(C)cc1 409240731 HPWPNGPVNOUTAL-XYZKMYPFSA-N 480.608 6.486 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(OCC)c2)cc1OCC 409310092 QFDFHFUVQDYSAK-VEILYXNESA-N 462.546 5.226 50 40 JKGB Cc1cccc(Cn2cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@@H](N)[C@@H]3C#N)c3ccccc32)c1 409336486 OHAXZMWOTTZBRS-XLTHYLIASA-N 456.553 5.206 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Br)c1O 409368468 XFUCNXNMJJPLAW-QPEQYQDCSA-N 470.104 5.222 50 40 JKGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 409392665 REJKCBXSMADEBK-LGJNPRDNSA-N 493.317 5.333 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c(Cl)c3)[nH]c2c1 409393181 VDWNPMMJHZYHIA-PXNMLYILSA-N 484.770 7.175 50 40 JKGB CCOc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cn3)C3=C2C(=O)CC(C)(C)C3)cc1 1436414 QQJWBYCQQBGNPO-QFIPXVFZSA-N 493.405 5.184 50 40 JKGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3Cl)CC(=O)N2)cc1 2309675 NUUHTJYVUDGIHF-QGZVFWFLSA-N 460.386 5.266 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c2[C@@H]1c1ccc(Cl)c(Cl)c1 8410789 XCXKCHAAPISQRL-OAQYLSRUSA-N 465.384 6.649 50 40 JKGB COc1ccc(/C=C(C#N)/C(O)=N/c2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1Br 9057490 KWQZUFAQNMYMMC-IZZDOVSWSA-N 470.201 5.580 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2O)cc1 9311390 ZMLOFCWGHHHAFJ-NTUHNPAUSA-N 450.130 5.025 50 40 JKGB Cc1ccc(N2CSC3=C(C#N)[C@H](c4c(Cl)cccc4Cl)CC(=O)N3C2)cc1Cl 12251065 XTUGZEBCIMTDDH-CQSZACIVSA-N 464.805 6.175 50 40 JKGB O=C(CCc1c[nH]c2ccccc12)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 13098438 BLTGSHRKCXUEPT-KPGMTVGESA-N 493.485 5.730 50 40 JKGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 13923137 CRXMQUFVCWJZIP-MZJWZYIUSA-N 470.356 5.224 50 40 JKGB CCCCSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccc(Cl)cc2Cl)=C(C)N1 20347511 ZCEXJDXDKCBDDT-FQEVSTJZSA-N 462.402 6.454 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 33665398 UPEWSCHXCBYHRS-LQKURTRISA-N 481.533 6.306 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 35104494 MKAPRIIFPPSEOJ-LDADJPATSA-N 480.351 5.865 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)c(C)c1 35385969 ULIKCZMTWFMORJ-MOSHPQCFSA-N 473.598 5.895 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12 59297212 DNFPBCCXESOOFV-XDHOZWIPSA-N 460.364 6.851 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 59336392 BTPQEONWGLYDPZ-ATVHPVEESA-N 480.782 7.195 50 40 JKGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 67196968 YWYVRCWQBMFLEG-PGGKNCGUSA-N 458.128 6.089 50 40 JKGB CCN(CC)/C(=N\C(=O)Nc1ccccc1Oc1ccc(Cl)cc1Cl)C(Cl)Cl 95676894 UEMAQLWUHCQEDA-BWAHOGKJSA-N 463.192 6.862 50 40 JKGB O=C1c2ccccc2C(=O)c2cc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)ccc21 100840909 BPIOMNGJJAPXRM-UHFFFAOYSA-N 483.527 5.956 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 408552680 URFZUUYSIRJUJI-NTFVMDSBSA-N 490.559 7.518 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4c(Cl)cccc4Cl)cc3)CC2=O)cc1C 408602382 DGUYRALKVDYBKG-GOSISDBHSA-N 498.410 5.685 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccccc1F 408743473 GBSPBCPRJWQDHZ-ODLFYWEKSA-N 495.348 6.030 50 40 JKGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1 408770786 AMWLEXOYGJVDJH-QJOMJCCJSA-N 455.558 5.666 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1cccc(C)c1 408794823 KBGTWUDYXQOZPT-UDWIEESQSA-N 462.933 5.877 50 40 JKGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OCC 408795604 MDXJYYZIGJMZQI-WOJGMQOQSA-N 453.336 5.022 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1 408805138 IRZUJOOHTUNNPM-LTGZKZEYSA-N 479.492 5.881 50 40 JKGB O=C(N/N=C/c1cccc(Br)c1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 408839022 LSDNTPTYBUQYMC-BRJLIKDPSA-N 491.172 5.772 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2)c(Br)cc1OCc1ccccc1 408845023 JPKGYZIFURHRRV-MFKUBSTISA-N 453.336 5.191 50 40 JKGB CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 408851601 DEPWIBXDGZZMBZ-YVNNLAQVSA-N 496.155 5.129 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1 408861733 CKCZLWYHLNXHEX-LQKURTRISA-N 460.986 6.315 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 408862294 FBCUARDRTYKQET-CPNJWEJPSA-N 460.364 6.851 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Cc2ccccc2Br)c1 408874389 AWJIMWWQCWWQIZ-XDHOZWIPSA-N 463.331 5.300 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1cccc(Cl)c1 408886197 FDMUNGSXYVCFBV-UDWIEESQSA-N 491.931 6.080 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1ccccc1C(=O)O 408887866 RSIKPHBKFKRWAT-CAPFRKAQSA-N 462.461 5.303 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(F)cc1 408954587 RUMGTNFKSTULFR-HAHDFKILSA-N 483.543 5.551 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1 409068970 VAPIVPULCOMKHS-SFQUDFHCSA-N 487.364 5.615 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccccc2F)c2ccccc12 409214745 UAPZHNFDABLQHP-UVHMKAGCSA-N 451.954 5.725 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 409264093 KTKQCLFRJGODAO-CPNJWEJPSA-N 479.458 5.577 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc(C(F)(F)F)c1 716002 VOJOLCXPYUUJIP-QHCPKHFHSA-N 498.501 5.744 50 40 JKGB CC(C)(C)c1ccc(OCCn2cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c3ccccc32)cc1 1827348 CHVUDLZUYNBHSH-DYTRJAOYSA-N 481.571 6.703 50 40 JKGB Cc1ccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 1895924 SUKBUGPJXGJNAM-ZMOGYAJESA-N 464.641 5.534 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 2078410 ZCSUMFWIHIOIBQ-MZJWZYIUSA-N 473.356 5.744 50 40 JKGB Cc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)NC2=C1C(=O)CCC2 2321719 YGFYKDZDQPRZPR-DEOSSOPVSA-N 478.017 5.758 50 40 JKGB O=C(N/N=C/c1ccccc1OC(F)F)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 3276271 MHZIMIQCSBTUSX-HNSNBQBZSA-N 493.513 6.934 50 40 JKGB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C\c1ccccc1OC 9122088 YEVBBURVOGUJHI-ATVHPVEESA-N 450.491 5.285 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)/C=C/c2ccc([N+](=O)[O-])s2)cc1)c1nc2ccccc2s1 9368920 WVYMTRWHZYVWNY-XBKMVRDJSA-N 459.508 5.949 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)cc1 10315757 RAJMNRZPSOLQIZ-STBIYBPSSA-N 459.977 5.743 50 40 JKGB O=C(COc1ccc(Nc2ccccc2)cc1)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12 13101476 SAHOBSSMVHAPPG-UHFFFAOYSA-N 488.547 5.485 50 40 JKGB CCn1c(SCC(=O)N/N=C/C=C\c2ccccc2OC)nnc1-c1ccc(C(C)(C)C)cc1 13941036 WIBSESWUTKAPHS-FMAKXGPTSA-N 477.634 5.179 50 40 JKGB C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)cc1 16035645 BCNCFLSSDVWFDV-HPPUGMLQSA-N 469.585 5.286 50 40 JKGB Cc1c(Cl)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 16268581 SGUOLUTUGUHBRI-HMAPJEAMSA-N 456.977 5.803 50 40 JKGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1 28215956 OUWJCFXLNALJLV-KKMKTNMSSA-N 474.457 6.401 50 40 JKGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1 30738542 JJDFFVSWPGTKHO-GXTRAYHQSA-N 484.552 5.186 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1 33339003 SMOYQPJWTPNPQB-RGEXLXHISA-N 461.315 5.522 50 40 JKGB Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cc(Br)c(O)c(Br)c1 33746838 IEAYBLGECSCOHR-SDQBBNPISA-N 460.125 5.497 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1cccc(C)c1 35331461 BVDHCQUFWMUGLP-NDENLUEZSA-N 466.350 6.939 50 40 JKGB Cc1cc(C(=O)N/N=C\c2cc(Cl)cc(Cl)c2O)c2cc(Br)ccc2n1 58632004 JOLMQMRBSITJES-UYOCIXKTSA-N 453.123 5.082 50 40 JKGB in-vitro Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)c2C)cc1 58913719 NOPBNSZWEYXLJM-UXHLAJHPSA-N 480.568 5.070 50 40 JKGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 59435286 GFRWVQWFFAVMCG-DHRITJCHSA-N 458.301 5.173 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2ccc(C)cc2)ccc1OCc1cccc(Cl)c1 59436866 QEZDRKAHUXRTAH-JFLMPSFJSA-N 469.006 5.869 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 59536385 ALSSIGAUADZGBU-XDHOZWIPSA-N 465.322 6.021 50 40 JKGB C/C(CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)=N/NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C 103762659 JGHXQDMREUSAKV-HWLWLWBHSA-N 498.469 5.384 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cc2cc(Br)ccc2o1 105062342 NGADLZOFFXTUED-MXAYSNPKSA-N 494.301 5.446 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1cccc2ccccc12 107688811 DWVARHHVBIJPFR-STBIYBPSSA-N 467.525 5.150 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc21 223513035 NHVDUWYRIKRBEG-GRSHGNNSSA-N 468.428 7.258 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(C)cc1 408550632 IMTRWFFNQCISLT-WGARJPEWSA-N 453.969 7.844 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2 408553409 YUKWXWNNKIWKQM-CPNJWEJPSA-N 480.568 6.186 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OC(C)C 408570746 YADHGONFCXHWDR-AUWJEWJLSA-N 491.304 5.557 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1)c1ccc(Br)cc1 408579227 DXQMQDHVHVIZNF-SFQUDFHCSA-N 474.763 5.934 50 40 JKGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 408607173 CEKFITYPESOSEZ-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccc(C)cc3)n2)cc1 408723932 APZBGLGIXFWQPG-NDZAJKAJSA-N 460.537 5.773 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1cccc(Cl)c1 408735942 ZQUXBGGPRITPKY-GZTJUZNOSA-N 480.782 7.195 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc2ccccc2c1 408787781 GETFMYIXDPHTDC-ZMOGYAJESA-N 482.967 6.935 50 40 JKGB COc1c(Cl)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1 408797593 SFQJLYQJKDYYGZ-IZZDOVSWSA-N 470.548 5.419 50 40 JKGB Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)cc1 408837911 AQDXDUVFLAFGSN-UHFFFAOYSA-N 463.946 5.190 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)c(OCc2ccc(Cl)cc2Cl)c(C)c1 408852428 KTQZMVYEIORGCO-CIAFOILYSA-N 465.380 7.043 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1ccc(Br)cc1 408934153 CQCCUFMAPMZJGV-PDGQHHTCSA-N 478.302 5.482 50 40 JKGB CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 408986145 LTTPNXHBXFHHKR-VGOFMYFVSA-N 496.732 5.206 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1ccc(Cl)cc1 409193155 DBPZTZKVGPQTLP-OPEKNORGSA-N 478.719 5.898 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)ccc1OCc1ccccc1Cl 409251233 UEPIWNVYKSCJLO-ZMFRSBBQSA-N 475.745 5.513 50 40 JKGB N#C/C(=C\c1cccc(OCC(=O)Nc2ccccc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1 409258657 VCJIIJDFCMHVQM-LDADJPATSA-N 465.431 5.269 50 40 JKGB COc1cccc(OC)c1OCc1cc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)cc1C 651002 GJHJTVOQFVWSJP-AMGIVPHBSA-N 494.595 5.493 50 40 JKGB O=C(NNC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)[C@H]1CC1(c1ccccc1)c1ccccc1 725820 DNEIRTQWEHRIQZ-VSGBNLITSA-N 472.588 5.146 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(F)cc2)cc1 935095 JCBPSGINRFXOJK-YDYXIROLSA-N 491.975 5.853 50 40 JKGB COc1ccc(-c2ccc3c(n2)sc2c4c(c(=O)[nH]c23)[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O4)cc1 1102226 AUWCZZSCCYVIQS-FQEVSTJZSA-N 496.523 5.171 50 40 JKGB Cc1ccc(-n2nc(C)c3c(C(=O)Oc4ccc([N+](=O)[O-])cc4Cl)cc(-c4ccccc4)nc32)cc1 3361099 RCPBGTZWJZQUBB-UHFFFAOYSA-N 498.926 6.485 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 8812406 VXVBIKREGZERDW-LGJNPRDNSA-N 471.872 5.129 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccccc1C#N 8812435 NILLBJPVGLTYPB-CCVNUDIWSA-N 496.336 5.201 50 40 JKGB O=C(N/N=C1/C(O)=Nc2ccc([N+](=O)[O-])cc21)c1ccc(CSc2ccc(Cl)cc2)cc1 9444000 CERXVGALENORPO-UHFFFAOYSA-N 466.906 5.276 50 40 JKGB C/C(=N\NC(=O)c1cc(Cl)cc(Cl)c1O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 9891847 LECHFWFBXLUQRY-RPPGKUMJSA-N 451.394 6.154 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 12363865 HETPJZXUFMAXJY-WOJGMQOQSA-N 453.325 6.127 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)Nc1ccc(Br)cc1 12374558 AUMBGSOKKXRNCS-LCYFTJDESA-N 471.694 5.606 50 40 JKGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1cc(Cl)ccc1Cl 12560575 YEYUAXDLILLULA-DHRITJCHSA-N 496.803 5.602 50 40 JKGB COc1cc(/C(C)=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)ccc1O 13564017 JTHKMFGQRIMNGP-NTFVMDSBSA-N 495.004 5.085 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc(Br)c1O 13659692 NONAHAQHLMLNKD-MLPAPPSSSA-N 458.293 5.259 50 40 JKGB CCc1ccc(-c2n[nH]cc2[C@H]2C(C#N)=C(N)Oc3c2c(-c2ccco2)nn3-c2ccccc2)cc1 13959799 TXMIOGPTFUFWBJ-HSZRJFAPSA-N 474.524 5.303 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OC(=O)c1cccc2ccccc12 15277315 BCBFKQOHWQEUMU-CJLVFECKSA-N 462.505 5.922 50 40 JKGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1 20158585 XXUZQEUCOKWWNV-NGVBTRAHSA-N 495.988 5.314 50 40 JKGB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(O)c(OC)c1 33339743 PQVVRQBXHYYRIB-YBEGLDIGSA-N 482.945 5.505 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)c1 33879338 JVZDFTPDNCVMIA-RDRPBHBLSA-N 453.542 5.542 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1 33899785 RREBMBDMEDMTMF-NVMNQCDNSA-N 499.748 6.662 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OCC 34687311 CLUCLFPVAVLSLB-QGOAFFKASA-N 489.385 6.492 50 40 JKGB COc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)ccc1OCc1cccc(C)c1 41120591 LILQNPVUKUDGIV-DEDYPNTBSA-N 455.539 6.388 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)C(c3ccccc3)c3ccccc3)cc2)cc1 58882667 JSUWWXOYBQQUGC-GTWSWNCMSA-N 477.564 5.295 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(F)cc1 59255626 AETKMNJJMHIHJK-VCHYOVAHSA-N 499.767 6.675 50 40 JKGB C/C(=N\NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1 59473767 PPQGKRDWAZAWSJ-AKBIMGJMSA-N 451.979 5.613 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(Cl)cc1 59679926 PXDGJDQFGAVOIZ-BRJLIKDPSA-N 470.754 6.020 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@@H]2C=C[C@H](C2)[C@@H]1P(=O)(c1ccccc1)c1ccccc1 100439136 FXCYJNJQLLGGGH-BUXYKGQHSA-N 494.511 5.958 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC 408539343 GWJIOBLYEPNRQS-ONUIUJJFSA-N 475.973 6.150 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 408539902 ZVYYDOMSSICRMZ-UYRXBGFRSA-N 470.953 5.640 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3)c2C)c(C#N)c1C 408547140 RUQYVHVJXPWRGA-UDWIEESQSA-N 457.555 5.231 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 408580833 FASDHVIJQRKJAT-FYJGNVAPSA-N 476.960 6.137 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(I)cc3)o2)c1 408742573 RUAJCAOPVZUEGE-FOWTUZBSSA-N 484.293 5.496 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 408802311 YYHWCLNKIWGHFI-ZFJBLLOBSA-N 495.406 6.755 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1c(C)ccc2ccccc12 408813643 YGCZDQUMNIMMGS-YZSQISJMSA-N 490.603 7.288 50 40 JKGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 408882132 QBAUFEAPFORCAH-RPPGKUMJSA-N 463.748 5.755 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(Br)c2)c1C 408884668 YUACZIHZPXCHSC-CIAFOILYSA-N 463.350 6.342 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408989666 UXPDWQIBZOANHH-WJDWOHSUSA-N 478.848 5.803 50 40 JKGB COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 409001140 HEURDFYNEKFETK-ZCTHSVRISA-N 473.532 6.018 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(F)cc1 409067370 QLBPIRHOSOUKET-PXLXIMEGSA-N 490.962 6.731 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(Br)cc1OCc1ccccc1 409127676 FJUDEEOLGJFDCU-XMMPIXPASA-N 493.357 5.351 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)cc2c1 409187194 NFHNEIAOCNGDAY-MBTHVWNTSA-N 478.932 5.836 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12)C(=O)NC[C@@H]1CCCO1 409195162 PTRRGXASGLFMCO-KRWRZEAGSA-N 498.808 5.308 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1cccc(F)c1 409231148 HXQMBLMUIXCFFZ-WKIKZPBSSA-N 489.316 5.008 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)NCCCc1ccccc1 409233352 VEBGOLMIKBLPOR-JWGURIENSA-N 488.418 6.652 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1Cl 409251551 AFEWGOAPGCRTAV-VCHYOVAHSA-N 482.323 6.292 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Br 409261938 FNAFSYHJGVWGJW-CPNJWEJPSA-N 490.357 5.321 50 40 JKGB N#C/C(C(=O)Nc1ccccc1)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 2339035 SPHJCYJRVLPWDH-UTDQILSNSA-N 494.403 6.058 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)N3CCCCCC3)N(c3ccccc3)C2=O)cc1Cl 2370541 YWUDSZZMBDXOQB-HVBJHMBASA-N 480.033 5.477 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2671158 WBBLFHQQHBECQL-KPKJPENVSA-N 485.676 7.471 50 40 JKGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1 8399837 IVPQHUBXFPNFKE-UHFFFAOYSA-N 492.403 5.132 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1 9056410 DNTMZEOTZORYNY-KBVAKVRCSA-N 488.946 6.401 50 40 JKGB N#C/C(=C\Nc1ccccc1Cl)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 9330735 SABAJMVNGFZEBA-JLHYYAGUSA-N 484.762 6.309 50 40 JKGB O=C(NN=C1c2ccccc2-c2ccccc21)c1ccc(NN=C2c3ccccc3-c3ccccc32)cc1 12562653 LZZKARVCPZYADC-UHFFFAOYSA-N 490.566 6.694 50 40 JKGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)NCCc1c[nH]c2ccccc12 13425326 MZUDRUZINQYTFM-BOPFTXTBSA-N 459.889 5.045 50 40 JKGB Cc1cc(Cl)ccc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(=O)(=O)c1ccccc1 14166482 YQZQYMZQLHDMIA-UHFFFAOYSA-N 490.069 5.552 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1cccc2ccccc12 16157999 CEAVKVOYHKUITL-JAIQZWGSSA-N 479.374 5.621 50 40 JKGB Cc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1ccccc1F 16268669 ZKWZMYNZVSIRQO-OKCVXOCRSA-N 469.585 6.187 50 40 JKGB N#CC1=C(N)N2C(=O)/C(=C/c3ccccc3)S[C@@H]2C(c2nc3ccccc3[nH]2)=C1c1ccccc1 17217284 VIXWRDZIFIRLCK-DDOPCNGUSA-N 473.561 5.124 50 40 JKGB CCCCCCSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2OC)=C(C)N1 19830695 MPAFKLHDTCQSIB-HSZRJFAPSA-N 451.592 5.936 50 40 JKGB CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1 19939748 GCDYBRYIBAQJMU-HSZRJFAPSA-N 482.005 5.361 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 27019913 MYVYRAVFAMWUSI-OWJYGESUSA-N 488.591 6.197 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1c(C)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 33469083 HVZFODHQLDHKKW-OCSSWDANSA-N 492.535 5.832 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)cc1 35166692 VQCLSYYOEZDAHN-QGOAFFKASA-N 493.922 5.441 50 40 JKGB CCOc1ccc(C2=C(/C=N\NC(=O)c3ccncc3)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 35375345 KZFPXKYRTNSREV-JNJFLXMWSA-N 493.538 5.971 50 40 JKGB CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1 38682290 HFLVEYJTZXGYAV-XMMPIXPASA-N 458.539 5.245 50 40 JKGB O=C(COc1cc(Cl)ccc1Cl)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 40912287 PLNHKNIHBLLBPS-UVHMKAGCSA-N 452.341 5.526 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccs2)c(Br)cc1OCc1ccccc1F 59197870 KBYZOQCQEWVXTR-FOKLQQMPSA-N 463.328 5.001 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1cccc2ccccc12 101737498 UAHARGUROYNPSE-UHBFCERESA-N 484.939 6.591 50 40 JKGB C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 105985951 BMNIGCHLCRTFRF-SQCONIQASA-N 486.366 5.213 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)c3cccc(Br)c3)c2)cc1C 107980506 VCZYVHAXDMVOTM-MTJSOVHGSA-N 461.359 6.148 50 40 JKGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc21 208246831 SWYSQHRCIPPBJU-HZZGJGATSA-N 460.987 5.213 50 40 JKGB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@]4(C)CC(=O)[C@H](Br)C[C@]4(C)[C@@H]3CC[C@]12C 299754819 VJESLMVYXPLTHU-GQVZDHBNSA-N 479.587 8.440 50 40 JKGB CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC 408538644 AYKFFFZKPJXABS-PGMHBOJBSA-N 454.998 7.024 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 408554640 SMESIFDIUHGOIC-LICLKQGHSA-N 457.744 6.728 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1cccc(F)c1 408581007 FXYZBZWQCACQSJ-KEBDBYFISA-N 467.924 6.538 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 408598895 KTBLBENXERJLRA-UVHMKAGCSA-N 481.339 5.977 50 40 JKGB CCc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccc(Cl)cc4Cl)c3)CC2=O)cc1 408601171 AHDOLSXUCXBSND-IBGZPJMESA-N 498.410 5.631 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccccc2Cl)cc1-c1cccc2ccccc12 408725074 NYIOGIYWWIOVRL-UXHLAJHPSA-N 464.956 6.418 50 40 JKGB O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1)c1ccc(Cl)c(Cl)c1 408752668 FYJROVAMZDUUBD-LQKURTRISA-N 478.335 5.767 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc2ccccc2c1 408789658 QQWNECKNRYPJDV-CVKSISIWSA-N 462.549 6.590 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408819109 ZMULNKLGEDLWQO-ZDLGFXPLSA-N 480.879 5.311 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)cc2)c(OC)cc1Cl 408832311 QNWKDOHJLAMEJY-UDWIEESQSA-N 462.933 5.790 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1Cc1ccccc1F 408871656 ZMEXMPHENQFKCO-LZYBPNLTSA-N 489.761 6.931 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1 408880855 JCMGKDJCKOJJTH-DEDYPNTBSA-N 480.973 5.579 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Br)c1 408885823 BJTOIHMIXGSIOY-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1 408887711 SPRIRSXTQYWAGW-XMHGGMMESA-N 496.972 5.361 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1cccc2ccccc12 408895598 NLPSOCSAHHAPQU-LQKURTRISA-N 458.901 5.485 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 408900325 VEAJDXCJTWENAI-RCCKNPSSSA-N 487.386 7.580 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 408978031 GSNBMAVQNOBTSX-RAQUAXEKSA-N 474.344 5.581 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(C)cc1 408986031 ZDZDALADNASCSZ-CIAFOILYSA-N 495.406 7.134 50 40 JKGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 409047762 PJVOAXGRKPWVRJ-ZUXBFLRDSA-N 491.429 6.458 50 40 JKGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 409112610 FEKQBMJALXDTPN-ROCQKPIASA-N 460.430 6.340 50 40 JKGB COc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 409192997 ADXQYIDNOVMOBS-ZHUVATADSA-N 468.340 5.338 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409224148 KXUYCIMKNMNDNJ-UDWIEESQSA-N 489.959 5.529 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)NCCCc1ccccc1 409235101 AJZPIBUUXQGVPS-KQWNVCNZSA-N 475.386 5.684 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 409246487 BXADZNVYGGIWBM-PPDIBHTLSA-N 493.735 5.653 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1Cl 409263953 DCSDEWCZWSKQFL-ZHZULCJRSA-N 489.959 5.610 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1OC 409323154 OAONVGOHZSAHOH-DICXZTSXSA-N 452.938 5.399 50 40 JKGB O=C(COc1ccc(/C=N\NC(=O)c2ccc(-n3cccc3)cc2)cc1Cl)Nc1ccccc1F 409379152 UYLXITDROSQEJB-MWLSYYOVSA-N 490.922 5.051 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1cccc(F)c1 409393310 PZRLYFXOCQLVJN-OCKHKDLRSA-N 470.313 6.769 50 40 JKGB CC(C)c1ccc(-c2cc(C(=O)NNC(=O)Nc3ccc(Cl)cc3)c3ccccc3n2)cc1 648466 NDSMWJBCVWDYOZ-UHFFFAOYSA-N 458.949 6.145 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)cc1 1103616 FDVVWDQVUYOEEH-RELWKKBWSA-N 492.579 6.191 50 40 JKGB Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/C=C/c2ccccc2)c1Br 3050462 WJGZMEQSHZGUDV-FFJJFXQHSA-N 494.227 5.838 50 40 JKGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 8448725 JMTPSXFSBCCNEQ-GTNFACHHSA-N 455.385 6.805 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1nc2ccccc2[nH]1 9187147 XVYUZYXVROXOIM-CXUHLZMHSA-N 499.195 7.275 50 40 JKGB Cc1cc(/C=N/NC(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 9265087 LTAJUIPMGQTHGP-CVKSISIWSA-N 467.411 6.310 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(NC(=O)c3ccccc3OC)Oc3ccc4ccccc4c32)cc1 13940370 HAGZXMLMQMAWBO-SANMLTNESA-N 462.505 5.546 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1Br 20241077 AOAJGWNTSBSBDA-OPEKNORGSA-N 495.204 5.693 50 40 JKGB C/C(=N\NC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1ccc(Br)s1 20550405 QYEGQNXBHARUJO-LQKURTRISA-N 492.442 7.003 50 40 JKGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(OCC)c1 27562963 SEEHHVLCEPDSJD-RQMJJLOQSA-N 497.547 5.753 50 40 JKGB CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)cc1 38682294 HFLVEYJTZXGYAV-DEOSSOPVSA-N 458.539 5.245 50 40 JKGB CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)sc(C)c1C 101037553 AFKFVOCWVDNJRM-QGOAFFKASA-N 459.596 6.795 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1 108071603 SMQQHHSIQBPJJC-UVHMKAGCSA-N 489.355 5.362 50 40 JKGB C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 263583969 GSJLBVBYMSNTPZ-XACSLSAESA-N 468.977 5.457 50 40 JKGB in-vitro N#C/C(=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 408544474 UAWOLHUBXRDRRG-QNGOZBTKSA-N 493.475 5.571 50 40 JKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)c1 408552736 UZBDXFWNCBFRAN-KGENOOAVSA-N 453.567 5.932 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc(Cl)c1)c1ccc(Cl)cc1Cl 408579176 DEBVVUFTPMATQY-CXUHLZMHSA-N 493.615 8.052 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(Br)cc1 408579575 IAPKJLLVUCSZHR-GHRIWEEISA-N 474.763 5.934 50 40 JKGB CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1 408598914 KZTFBDAEXNYQHC-DEDYPNTBSA-N 461.974 6.851 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3cccc(C)c3)n2)cc1 408724166 GWCFAKBYZQQNDJ-RUMWWMSVSA-N 486.575 6.287 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c1 408747085 ZGQIMXZXRZEOPP-PDGQHHTCSA-N 454.357 6.345 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc2ccccc2c1 408759033 WUAAWSQVZKQQRZ-OEAKJJBVSA-N 483.365 6.727 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccccc1F 408759221 ZZIBJGQCCQTUSD-WQRHYEAKSA-N 481.321 5.721 50 40 JKGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408759793 LRNHCIXCFRJGPL-VFLNYLIXSA-N 495.284 5.924 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(C)cc1 408789875 SELRGYSONBYEKW-WSDLNYQXSA-N 460.961 6.399 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1C 408809970 HXNQIDWWOFGIRF-UDWIEESQSA-N 461.905 5.990 50 40 JKGB CC(C)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/C=C/c1ccccc1 409012131 HSJRKHGGTIARHV-LJLDGOLKSA-N 476.404 5.107 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(F)cc1 409075311 QPXCGQRLJUXLRZ-WOJGMQOQSA-N 450.853 5.302 50 40 JKGB Cc1c(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c2ccccc2n1Cc1ccccc1Cl 409161842 QFDFZUJIZXZCQJ-CCVNUDIWSA-N 459.933 5.073 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 409216491 LXAACOKIVUKEAR-RPPGKUMJSA-N 479.816 6.468 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1OC 409321040 RKXXTXMTYHQJIX-MUXKCCDJSA-N 486.927 5.238 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)ccc1OCc1cccc2ccccc12 409363140 JVCPCLYABVLNQZ-GTWSWNCMSA-N 466.581 6.073 50 40 JKGB O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1ccc(Cl)c(Cl)c1 1825573 UUBHJRGABSOWGQ-ZVBGSRNCSA-N 469.444 5.380 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1OCc1cccc2ccccc12 2143435 DRUUZZFHUITTKM-WJOKGBTCSA-N 498.582 7.189 50 40 JKGB Cc1ccccc1-n1c(SCC(=O)N/N=C/C(Cl)=C/c2ccccc2)nc2ccccc2c1=O 2213170 PHVGHJKAWDSJGN-WNTLQCLUSA-N 489.000 5.168 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(F)cc3)N(c3ccccc3)C2=O)cc1Cl 2308201 ASJRBZPJEQIGSK-GFPZRUSRSA-N 491.975 5.853 50 40 JKGB O=C(COc1ccc(Cl)cc1Br)N/N=C/c1c2ccccc2cc2ccccc12 3025088 ZKZIDLUDSWDHDC-LGJNPRDNSA-N 467.750 5.938 50 40 JKGB CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1c(C)nn(-c2ccccc2Cl)c1Cl 3378421 DOJVWJFUWXCJCH-QGOAFFKASA-N 453.373 6.158 50 40 JKGB COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Oc3ccc([N+](=O)[O-])cc3)c2C#N)cc1 6157138 RRQUDEFJHHBOFM-UHFFFAOYSA-N 497.532 5.902 50 40 JKGB CC(C)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc4ccccc4c3)=C2C#N)cc1 9012381 QWEFZPXKTZPXKC-QHCPKHFHSA-N 455.583 5.674 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C\c1ccccc1OCc1cccc(Cl)c1 13595289 ALTUGQDRMMFOSG-QFEZKATASA-N 457.755 5.374 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 20764524 XZLNTHQULNTDMU-UVHMKAGCSA-N 477.775 6.388 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 26123791 NNMOOJGBBSESMX-JVWAILMASA-N 452.938 5.480 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(C(C)C)cc2)Cc2ccc(Cl)cc2)cc1 34738492 HYHYPKUHGVTLBQ-NTFVMDSBSA-N 498.048 5.113 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OCC)c1OCc1ccc(Br)cc1 35335028 RTBYLPDLEYRYFD-JCMHNJIXSA-N 492.388 7.359 50 40 JKGB CCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 40476973 BGEUKUZRKWNSMR-NTCAYCPXSA-N 458.370 6.660 50 40 JKGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 58913519 DXPJAJABFMWXLW-KBKYJPHKSA-N 493.778 5.152 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccs2)cc(Br)c1OCc1ccc(Cl)cc1 59197837 XCOALBDXCRCHJI-FOKLQQMPSA-N 479.783 5.516 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 59335023 XOWWMQYERKFBTL-SGWCAAJKSA-N 479.583 7.665 50 40 JKGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3cccc(C)c3)c(OCC)c2)cc1 83301307 PMJPGHWDZLAPOG-SIMFPYGHSA-N 490.600 5.335 50 40 JKGB COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(O)CCCC3=N2)c1 104010206 RMSXXFSRZNOFKC-NRFANRHFSA-N 451.573 5.398 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1cccc(F)c1 136982500 FIFIYNVJMDVQID-UDWIEESQSA-N 464.924 6.311 50 40 JKGB Cc1ccc(/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1 408581762 ZFRGKFYWUGQSIC-DEDYPNTBSA-N 468.372 5.898 50 40 JKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 408599773 ZLAXBHASEWKAQV-MUFRIFMGSA-N 490.401 5.961 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1C 408606370 LRJWFAZPDPXGFV-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 408606799 BBRCYEUHOGSEQV-RWPZCVJISA-N 498.366 5.226 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)sc(C)c1C 408746399 DGTCYZWHXJVZQW-XKZIYDEJSA-N 461.587 5.173 50 40 JKGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1 408756991 YWRHHCZQFDNDLN-KQWNVCNZSA-N 496.544 5.356 50 40 JKGB Cc1cc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)o2)cc([N+](=O)[O-])c1C 408761856 HLJYWIMBRSDGTJ-SXGWCWSVSA-N 466.291 5.780 50 40 JKGB O=C(N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)c1cccc(Cl)c1 408764398 RPXZJJJVUJGBEY-FDAWAROLSA-N 478.935 6.630 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1Cl 408792363 AVIXDBKKPLOZOU-GIJQJNRQSA-N 482.323 6.335 50 40 JKGB C[C@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 408808884 GJJYMHOKJWEVQL-NNIWKIFQSA-N 494.378 5.795 50 40 JKGB C#CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1 408840443 YVGPBULARXZGKT-LQKURTRISA-N 486.984 5.983 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 408865515 AYEQERBJLFEQGR-YBFXNURJSA-N 485.798 7.334 50 40 JKGB COC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1OC 408871223 YDKAHZJBWSBEPI-CVKSISIWSA-N 464.543 5.038 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OCc2ccccc2Cl)c1 408878616 AYXIATFFZORRBV-LICLKQGHSA-N 487.770 6.780 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 408890104 NXKXGXSTSDZMNX-QGOAFFKASA-N 495.760 6.176 50 40 JKGB O=C(Oc1c(Cl)cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1Cl)c1ccccc1 408894304 HTZUJSUZNOLRIJ-LQKURTRISA-N 478.335 5.767 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1cccc(C)c1 408964316 CUKJWJYFFCSKCV-IPPBACCNSA-N 465.912 5.401 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 408998019 PXPYHUOLEMWHSB-DXJNIWACSA-N 462.553 5.238 50 40 JKGB CCCCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OCC 409043775 ZMSBVMSMOKIOJW-COEJQBHMSA-N 467.569 6.243 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(F)cc1 409049984 RVLHAAJXEJEHBG-LZYBPNLTSA-N 475.734 6.911 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1 409056072 KQDPSGAYPLHERE-CXUHLZMHSA-N 459.279 6.396 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 409093178 XUWXIECHJSKQJQ-MHWRWJLKSA-N 478.848 5.803 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 409389040 AEZJZVXODUWABE-ODLFYWEKSA-N 450.897 5.959 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)c1cccc(F)c1 409394389 ZVBBALMBHLKFJO-IUXPMGMMSA-N 460.705 7.024 50 40 JKGB COc1cccc(OC)c1OCc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)cc1C 651017 DKHYRRRJLZAWMD-RUZDIDTESA-N 488.584 5.351 50 40 JKGB Cc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 934931 BTHDPJFUJIGDIJ-UZEPBSNMSA-N 467.594 5.046 50 40 JKGB Cc1c(/C=N/NC(=O)c2sc3ccccc3c2Cl)c2ccccc2n1Cc1ccccc1 2294113 AOWOEWHRQUBRQJ-RWPZCVJISA-N 457.986 6.630 50 40 JKGB CC(=O)C1=C(C)NC(SCC(=O)N2c3ccccc3C[C@@H]2C)=C(C#N)[C@H]1c1ccc(Cl)cc1 3296558 MILIFLDVNPHRON-ODCWNRFASA-N 478.017 5.336 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccc(Cl)cc1 3628345 DFWCQZCYVNFPLU-VWLOTQADSA-N 476.916 5.265 50 40 JKGB C/C(=N\NC(=O)c1ccncc1)c1sc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc1C 5834360 WYQIIKFMEBSUDD-NDZAJKAJSA-N 478.581 5.520 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1OCc1ccc(Cl)cc1 8383707 CYAACIWMCFATFB-OGLMXYFKSA-N 459.933 5.482 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)c1 8811205 DOEDGPWTJNCDJL-BIZUNTBRSA-N 490.559 6.353 50 40 JKGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)CC(=O)N1 9011799 GQLQAAXXTBVECJ-XMMPIXPASA-N 497.620 5.539 50 40 JKGB O=C(Oc1cccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)c1)c1ccc2c(c1)OCO2 9553618 RRCLYICMVKKMSV-RPPGKUMJSA-N 478.913 5.267 50 40 JKGB CCOC(=O)/C(C#N)=C/c1cc(Br)ccc1OCCOc1cc(C)ccc1C(C)C 9635662 YJWDSZVZQFFUGQ-CPNJWEJPSA-N 472.379 5.809 50 40 JKGB CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1OC 9972929 DDRLXTGIOHWPHE-MLJKTZRHSA-N 463.759 5.834 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)Nc1ccc(Br)cc1 12374451 MBFZHZIUZOXEDA-UYRXBGFRSA-N 477.314 5.272 50 40 JKGB CC(C)c1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 13204140 YDDHAWCEYXSWMC-VWLOTQADSA-N 475.589 5.750 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1Cl 32186376 ZOMRJKOLKCJSTC-QGOAFFKASA-N 467.750 6.227 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccs2)cc(Br)c1OCc1ccccc1Cl 58871444 JJHGAEMYMPQCKF-FOKLQQMPSA-N 479.783 5.516 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 59117429 VKXGJCGVHJXUCZ-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 59336252 CPUXNUIUQDRVIA-QPEQYQDCSA-N 483.735 5.143 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1cccc(Br)c1 59445037 PJQYQIWTHGLZHR-ZMOGYAJESA-N 488.179 5.555 50 40 JKGB O=P(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)C1(O)CCCCC1 97951395 JPPQCMXXQGJMLK-UHFFFAOYSA-N 480.238 5.044 50 40 JKGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)C3=C(O)CCCC3=N2)cc1 102567711 RYXGAWCQDSQEFT-VWLOTQADSA-N 473.598 6.035 50 40 JKGB CCCCCCCCCCCCCCCCn1ccc(=N/C=C(\C#N)C(=O)C(=O)OCC)cc1 103004341 YQZNBGCJENGQFP-OCOZRVBESA-N 469.670 6.410 50 40 JKGB O=C(CC(=O)Nc1ccccc1)N/N=C\c1cc(/N=N\c2ccc(Br)cc2)ccc1O 104303865 HTRFOVNXRDBPGG-QAQAEODYSA-N 480.322 5.049 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)NC1CCCC1 207037269 WZMFRMXWNUFTDU-BOPFTXTBSA-N 459.771 5.647 50 40 JKGB CCN1c2cc(C)c(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)cc2[C@@H](C)CC1(C)C 223575897 ORMLCBGGNNMMCQ-LNLSZRECSA-N 462.421 5.943 50 40 JKGB Cc1cc2c(cc1/C=N/NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC(C)(C)N2C(C)C 223592523 DSSDJXHQZWOJAU-NEOOYVHHSA-N 468.623 5.646 50 40 JKGB COc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OCc1c(F)cccc1Cl 408542827 KZDLGJAOTJMNPZ-WOJGMQOQSA-N 461.924 6.624 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1cccc(C)c1 408553570 ZZXIBSDQEXCIQX-WGARJPEWSA-N 453.969 7.844 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1nc2ccc(F)cc2[nH]1 408570715 XUFBURRPDAZKPU-NDENLUEZSA-N 498.355 7.261 50 40 JKGB N#C/C(=C\c1c(OCc2cccc(F)c2)ccc2ccccc12)c1ccc(Br)cc1 408578938 BYMFMTCMASYQTB-RCCKNPSSSA-N 458.330 7.385 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1OC 408583899 YLZKIJMDSQOPFT-GIJQJNRQSA-N 458.316 6.793 50 40 JKGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccccc1 408607809 DYSXENAHKQRLKX-RWPZCVJISA-N 479.964 5.023 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 408774263 BTUHPUZFHAYJNV-JCMHNJIXSA-N 451.492 6.014 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1cccc([N+](=O)[O-])c1 408774813 CYGYGMLPBOMFPK-SXGWCWSVSA-N 455.301 5.855 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 408785855 IQGZZGIGYWGSNY-JWGURIENSA-N 452.941 6.926 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(C(=O)O)cc1 408792413 JXHYTJZGNVQGKG-OEAKJJBVSA-N 470.525 5.525 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c1C 408796187 OJPVSSYFSSLDIT-UDWIEESQSA-N 451.353 6.735 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(C)c(C)c2)cc1 408798511 JAOOLVCPUDTBQM-OEAKJJBVSA-N 470.525 5.223 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C)c(C)c3)c(OC)c2)cc1 408812804 PPEAVAZTMIIAGO-YDZHTSKRSA-N 474.988 6.653 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2cccc(Cl)c2)c1Cl 408813414 PLXWTRLPWVNXJJ-OPEKNORGSA-N 480.735 5.924 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 408828696 IWXWYCKQZKGNPT-XAYXJRQQSA-N 477.630 5.050 50 40 JKGB Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1 408883051 SUXSLHHKAUFTIT-KOEQRZSOSA-N 464.996 7.555 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Cl)c1OCc1ccc(Cl)cc1 408885489 AUEUGRYFAWHDIE-MUFRIFMGSA-N 494.378 6.136 50 40 JKGB Cc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 408889914 KWMJTUDRKWFAMU-LDADJPATSA-N 461.861 5.322 50 40 JKGB Cc1ccnc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)c1 408949871 SKENFMQLKZWCCA-ROTLSHHCSA-N 451.324 5.070 50 40 JKGB CCCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OCC 409035110 PFTFTEJWCZXUMW-CEUNXORHSA-N 453.542 5.853 50 40 JKGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1OCC 409053468 YPOQDLRPVDFDEE-FSJBWODESA-N 451.748 5.138 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c(C)n1-c1ccc(Cl)c(Cl)c1 409391630 KIHYKCRWCLTVAM-IPPBACCNSA-N 465.384 6.116 50 40 JKGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1439533 KLDBPGUGULSCKR-CPNJWEJPSA-N 476.916 5.260 50 40 JKGB Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)o1 1811202 ZIWAQAJZSPHEHW-ZMOGYAJESA-N 457.987 5.248 50 40 JKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1 8386006 LFJWSCKVDLMQPG-NLRVBDNBSA-N 475.427 6.438 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 9034218 AWASCKKJZOODHO-NYRFQVNLSA-N 458.565 6.115 50 40 JKGB CCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1 9076527 KNKYAAQVBHTPPN-NTCAYCPXSA-N 454.349 5.726 50 40 JKGB CCc1ccccc1N1CSC2=C(C#N)[C@@H](c3c(OC)ccc4ccccc34)CC(=O)N2C1 9693489 SUXKJUVLDRTAQI-NRFANRHFSA-N 455.583 5.630 50 40 JKGB Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(OCc4ccc(F)cc4)c2)C(C#N)=C(N)O3)cc1 10013824 UEESRXKIDGSPLG-QHCPKHFHSA-N 452.489 5.321 50 40 JKGB CC(C)Oc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2c3sc3nc4c(cc32)CCCCC4)cc1 12856533 PQJCJBAVQZIZSI-NRFANRHFSA-N 498.608 5.412 50 40 JKGB COC(=O)c1cc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)ccc1Cl 13945077 TUQBFFJURXAVBV-SFQUDFHCSA-N 486.915 5.085 50 40 JKGB COc1cc(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)ccc1OC(=O)c1cccs1 14359306 DSJHLOYPVCGKLG-CVKSISIWSA-N 452.576 5.033 50 40 JKGB Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)CCSc2ccccc2)c1C 20243902 DVBGTDQVHBJHAL-MFKUBSTISA-N 470.436 5.798 50 40 JKGB COc1ccc(N(C(C)=O)c2nc(/C=C(\C#N)C(=O)Nc3cc(C)c(Cl)cc3OC)cs2)cc1 23723878 UEBLTRAZVNJPDO-MHWRWJLKSA-N 496.976 5.352 50 40 JKGB Cc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 28215883 FCOODAVRVUWOSL-RPPGKUMJSA-N 460.430 6.093 50 40 JKGB CCc1ccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1 30742657 DLRMVOIOWNNNHE-JJFYIABZSA-N 463.053 5.289 50 40 JKGB O=C(N/N=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cc2ccccc2o1 33360583 NYACYFUAAHQBPQ-WKIKZPBSSA-N 469.375 5.916 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OC 59336506 FAQQFXHFQQVOPH-ZROIWOOFSA-N 466.162 6.039 50 40 JKGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1 59473192 FOELKMRDJTVMBB-MUFRIFMGSA-N 475.013 6.456 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1cccc(F)c1 108088193 XMIDIFKXKFNXCH-MZJWZYIUSA-N 493.516 5.690 50 40 JKGB CC(C)[C@@H]1COC(c2ccc3ccccc3c2-c2c(O[Si](C)(C)C(C)(C)C)ccc3ccccc23)=N1 195516748 IFPRIRSMYGSWIJ-MHZLTWQESA-N 495.739 8.845 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(F)cc1 408569858 QQHOIPLMZSSQNZ-VULFUBBASA-N 469.607 5.241 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc2ccccc12)c1ccc(Cl)cc1Cl 408580270 NSYYOCLIDJBPHZ-UDWIEESQSA-N 464.779 8.443 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccccc1 408744235 XLFZBQOMJCKIBD-WQRHYEAKSA-N 478.302 5.482 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)cc1 408745174 PUHTWOYWTHMEPU-ZHZULCJRSA-N 492.373 5.579 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccccc1Cl 408747675 RLOFUKFWQCZASE-PDGQHHTCSA-N 497.776 6.236 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)c2C)sc2c1CCCC2 408780936 NRMGQGCWMTUHCG-STZFKDTASA-N 487.625 5.984 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccc(C)cc1 408787769 GAEUEEWWTQQMRN-YBFXNURJSA-N 493.357 5.596 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 408795700 MJGZBIJLTZJLNR-DEDYPNTBSA-N 495.804 6.790 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c1 408795856 NHLJETRGWATNDG-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 408799936 JMCAUNLDIXOZEX-LKZQPVPRSA-N 453.973 6.436 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\C2=C(C)[C@H](c3ccc(OCc4ccccc4)cc3)C(C)=C2)cc1 408818275 NKWNEWHVXPBALZ-FABFSAKGSA-N 490.603 6.401 50 40 JKGB CC(C)COc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 408880043 INBZDEBNUUVYOX-STBIYBPSSA-N 452.639 6.105 50 40 JKGB Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1 408886674 IEHYAFRYFCCINX-WOJGMQOQSA-N 495.760 6.176 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2Cl)cc1 408886939 KGRVZHSXEASHKE-LQKURTRISA-N 458.901 5.485 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)n1-c1cccc(Cl)c1 408921498 AZNAYJOUZLWRKP-CXUHLZMHSA-N 455.301 5.855 50 40 JKGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)n1 408977592 JCJRHLWSTQWQCN-PXLXIMEGSA-N 497.580 6.214 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1cc([N+](=O)[O-])ccc1O 409041957 LLKMOUSCLUFHQD-KBKYJPHKSA-N 483.311 5.374 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1 409048642 TZZAUHGJAWYJRZ-CXUHLZMHSA-N 475.734 6.911 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 409068644 UPTBUKGQHJGPKO-HZHRSRAPSA-N 485.496 6.273 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccco2)c(Br)cc1OCc1cccc2ccccc12 409078195 HYOXHJSHXSHHFL-VULFUBBASA-N 479.330 5.547 50 40 JKGB COc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2Cl)c1 409225909 SPXFKJCSNBQGKY-ZRGSRPPYSA-N 477.731 5.639 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Cl)c1C 409267898 PSVFHSPEOPLXDK-UDWIEESQSA-N 461.905 5.947 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1OC 409323301 NAADVDRUSHYVPG-RHANQZHGSA-N 494.975 5.655 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(I)cc1 409369811 YRQKBBYQLFORFE-UYRXBGFRSA-N 482.277 5.843 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccccc1C 1915798 QWPVLMSUJRBIPT-VULFUBBASA-N 477.611 5.435 50 40 JKGB COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3o2)c1OCc1cccc(Cl)c1 2077105 VOWZTLWNWVNMQN-LGJNPRDNSA-N 481.961 5.311 50 40 JKGB O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(CSc2nc3ccccc3s2)cc1 3236923 GUEBBIGVFRFMEE-DPYVXGJJSA-N 474.567 5.926 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2c(C)n(Cc3cccc4ccccc34)c3ccccc23)c1 8811221 LMXHQEXYRSYXFY-FDAWAROLSA-N 477.564 5.932 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)o1 9057440 IEVFSXNKPZGJHM-UKTHLTGXSA-N 497.261 5.380 50 40 JKGB Cc1cc(Br)c(NCC(=O)N/N=C/c2ccc(Cl)cc2Cl)c(Br)c1 12445002 XKPKVIOEIZHUTK-QPJQQBGISA-N 494.014 5.389 50 40 JKGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1 13129674 SNXVPTZFTSRECX-XSFVSMFZSA-N 450.454 5.283 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)cc1 13894026 QWJJXCDWUGMUAO-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccc(Cl)cc1 14134334 FSBLQACUHJWIPH-KKMKTNMSSA-N 456.760 6.414 50 40 JKGB CC(C)OC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 17113503 SVUACCXEAHHHBD-SFQUDFHCSA-N 468.376 6.114 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)NCc1cccs1 18173606 DBJXDLXPXCMWCD-VXLYETTFSA-N 478.371 5.185 50 40 JKGB CCCCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2C)=C(C)N1 19946600 HAXQCFKDNHICRZ-RUZDIDTESA-N 475.614 5.406 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)c(C)n1-c1ccccc1 28216109 CMWJMFZIKJXAJJ-ZMOGYAJESA-N 456.409 5.240 50 40 JKGB O=C(CCCCCCCCC(=O)N/N=C\c1ccc2c(c1)CCC2)N/N=C\c1ccc2c(c1)CCC2 33600588 FOUVZCAFPUVDLK-RYJWMXFHSA-N 486.660 5.385 50 40 JKGB COc1cc(/C=N\NC(=O)CSc2cccc3ccccc23)ccc1OCc1ccccc1C#N 33652325 IDCOKJGPMBYLSC-LQNQUEJISA-N 481.577 5.541 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(OC(C)C)c3)o2)cc1 33706838 SUIMQHNICOSDKR-RHANQZHGSA-N 471.557 5.817 50 40 JKGB N#C/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)Nc1ccc(Cl)cc1 34849010 COFVLMSUIHVBIW-YHYXMXQVSA-N 456.521 5.116 50 40 JKGB CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1 38680387 NAENIWSAEGZUOE-DEOSSOPVSA-N 492.934 6.095 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1OCc1ccccc1Cl 59245280 LAFXBHXDDBCVIY-PXLXIMEGSA-N 460.961 6.426 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 59272287 NERZFEYNBGKHPD-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 408723941 ASSBQNOKKMGZBL-AJBULDERSA-N 476.967 6.624 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(OCC)c2)cc1 408789416 QBCQFXYMIANLRX-PXLXIMEGSA-N 488.515 5.526 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408794768 JZLRFZUNRZXUIV-OVVQPSECSA-N 485.543 6.262 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(I)cc3)o2)cc1 408795714 VZGBQPKUEAPCHO-GHRIWEEISA-N 468.294 5.659 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)c(C)c1 408819063 WOICGIAZDQOTPD-UDWIEESQSA-N 461.905 5.990 50 40 JKGB C=CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1 408820204 UNKWHKNXEQHQMF-DICXZTSXSA-N 492.373 5.932 50 40 JKGB Cc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)c1C 408857023 JFKCHOBBLRZWEL-PSAIAPIPSA-N 457.599 5.150 50 40 JKGB Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1 408869324 BWALQULMKQQLGC-ZVHZXABRSA-N 473.414 6.819 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 408874325 BFTSYDGUFNVTDM-WOJGMQOQSA-N 496.748 6.147 50 40 JKGB COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408891488 RHJNHVZUSVUGRR-SFQUDFHCSA-N 467.308 5.767 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc([N+](=O)[O-])c1O 408951917 VFIOAJNOEWFUBA-QRQIAZFYSA-N 484.512 5.229 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)sc(C)c1C 408995594 BLHQSVFCMJULSE-RPPGKUMJSA-N 488.009 5.132 50 40 JKGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Cl 409040789 YPVSWMMHZMTVCV-MWLSYYOVSA-N 476.363 6.537 50 40 JKGB N#C/C(=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1)c1ccccc1 409046300 JVMNFOGYBISDKN-VCHYOVAHSA-N 487.166 6.994 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccc2ccccc2c1 409189896 KCGGPGDNYDQNLJ-UCQKPKSFSA-N 474.988 6.437 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(OCC)c1OCc1ccccc1 409231043 AYSVSOKZAFBSPR-SOSVVEOHSA-N 466.581 6.177 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2 409246467 BRDKBAMBODHPER-KQWNVCNZSA-N 468.626 5.562 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(Br)cc1F 409246525 CIHWBHWVULAISF-DEFALTHMSA-N 466.354 5.780 50 40 JKGB Cc1cccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c2)c1C 409249865 IWSKGSYDWGHZNN-UCQKPKSFSA-N 453.542 5.483 50 40 JKGB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)cc1C 409260317 OOPNUAGZKUKIRN-YBFXNURJSA-N 494.378 6.173 50 40 JKGB Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1C 409263348 ISTYKNDOAMIPPG-MOSHPQCFSA-N 459.933 5.520 50 40 JKGB O=C(NNc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCC1)Cc1ccccc1-2)c1ccccc1 1765953 DCQQQIHVHAPYIJ-UHFFFAOYSA-N 476.580 5.083 50 40 JKGB CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCOC)cc1 2246430 MKGCMXOEKITBCG-FXBPSFAMSA-N 460.603 5.101 50 40 JKGB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1 2309859 GYLBADUBJACUSJ-QGOAFFKASA-N 479.989 5.857 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)cc1 2429590 CKRCOLHOFLCIOY-CAPFRKAQSA-N 480.524 5.048 50 40 JKGB Cc1cc(C)c([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(Cl)cc1 2726834 ANWPMWPXPFDRDA-OZXSUGGESA-N 468.988 6.129 50 40 JKGB CCCCc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 9075871 SSSLKBGSWXQEDG-WDMJVNMNSA-N 495.648 6.403 50 40 JKGB Cc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(OCc5ccccc5)c4)CC(=O)N3C2)cc1 12251014 KTOBYXQSQPNFOD-RUZDIDTESA-N 467.594 5.794 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccccc1Cl 20348455 BDXQTOOPWJNYLL-HSZRJFAPSA-N 479.989 5.137 50 40 JKGB CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1 33450619 JMJBRRAFJJJPTH-MWLSYYOVSA-N 491.975 6.082 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccccc1F 33648890 PTSZGLZSMLHQOO-GRSHGNNSSA-N 497.320 6.538 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 34704986 BSSXMFHVZUGOSZ-VYYCAZPPSA-N 485.899 5.058 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cn(Cc2ccccc2F)c2ccccc12 35107502 AEWWNMCFJORLRK-OKCVXOCRSA-N 451.501 5.754 50 40 JKGB COc1ccc(/C=N\NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1CSCc1ccco1 35315709 BTWZRGKWCWWHCQ-POBNQVKUSA-N 476.642 6.273 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OC 59245250 DEXLORQMIMCCTG-NTUHNPAUSA-N 469.257 5.421 50 40 JKGB COc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)ccc1OCc1ccccc1 59436863 YVVLLVFPGUSITE-FDAWAROLSA-N 494.616 6.228 50 40 JKGB C[C@H]1/C(=N\NC(N)=O)[C@H](O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 104093058 VNKDJJBPRDVEIM-BDVCEBRVSA-N 499.784 6.883 50 40 JKGB COc1cc(C)c(/C=N/NC(=O)c2cc3cc(Br)cc(Br)c3o2)cc1OC 408549298 SEBZQLOSKUILAK-LSFURLLWSA-N 496.155 5.047 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1[N+](=O)[O-] 408598464 AXQRONKJZPAJEQ-WYMPLXKRSA-N 488.725 5.354 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 408725720 NEYNEIOYQAGESH-UNOMPAQXSA-N 477.904 5.772 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccccc1 408742151 NKWGRQFWOCMLEM-GRSHGNNSSA-N 492.760 6.099 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 408743995 DAUOIWQEZDVBFQ-WQRHYEAKSA-N 466.896 5.621 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(O)(c1ccccc1)c1ccccc1 408746172 BYJRDZKTALAPLO-FSGOGVSDSA-N 470.956 5.305 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccccc1F 408748138 YZIKQYNZYPIMIB-JAIQZWGSSA-N 495.348 5.399 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2)ccc2ccccc12 408809212 RAZAAWRDPRBZRC-CJLVFECKSA-N 452.941 6.926 50 40 JKGB Cc1c(Br)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccccc1 408850163 HFHCFWRAIVABQM-VBKFSLOCSA-N 454.755 6.056 50 40 JKGB Cc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(C)c1OCc1ccc(Cl)cc1 408858495 SMRHKZOZNBPFGG-FYJGNVAPSA-N 452.779 7.363 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc2c(c1)OCO2 408861229 AGCRQZJLBVPNNS-VXLYETTFSA-N 476.916 5.592 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1Cc1ccccc1Br 408877430 RNQKNOHUSSQNGH-DEDYPNTBSA-N 479.349 6.123 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Br)C(=O)Nc1ccc(O)cc1 408886842 MOFMISBJPYDPMF-GZTJUZNOSA-N 483.749 5.933 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)cc1C 408992032 QCIZTWLYOJRGAV-XNTDXEJSSA-N 476.539 6.111 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2C)c1C 409005188 DJVDTIDZPOIAED-KBVAKVRCSA-N 476.580 5.329 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 409066847 MNUXSAPIDSIVCA-GHRIWEEISA-N 472.444 5.019 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccccc1Cl 409242948 PWVNAGKLBIWDIN-ULJHMMPZSA-N 474.988 5.974 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Cl)c1 409258311 WEHKSHLZPARNHW-VXLYETTFSA-N 496.350 6.600 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(Cl)c2)cc1OCC 409310504 VKBQUAWCDYQGNN-MWLSYYOVSA-N 482.939 5.786 50 40 JKGB COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)c2ccc(I)cc2)o1 409368541 BBWKQYHJGWHXLG-QINSGFPZSA-N 455.251 5.402 50 40 JKGB CCOc1cc([C@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1c(Cl)cccc1Cl 409373737 YOWMTWQJEJQRNW-OAQYLSRUSA-N 490.456 6.314 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2ccccc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 409374859 AOBDDUJUGHTOLU-STBIYBPSSA-N 467.529 5.232 50 40 JKGB O=C(NNC(=S)Nc1ccc(Oc2ccccc2)cc1)C(c1ccccc1)c1ccccc1 1410866 GXBYGBFSSZJAED-UHFFFAOYSA-N 453.567 5.629 50 40 JKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)(F)[C@H](F)Cl)n2)c(C)c1 2318112 XWWDLKYKGXBJQZ-GLHYLFFDSA-N 463.912 6.910 50 40 JKGB COc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 3082709 DFIHIRFZHUVFFG-NDZAJKAJSA-N 464.521 5.388 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc(Br)c1OC 3231315 UXBFMXAATBQYLG-KPKJPENVSA-N 455.230 5.031 50 40 JKGB C/C(=N/NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)c1cccc(Br)c1 9849544 KXXLVLISDDLYDD-ITYLOYPMSA-N 464.363 5.434 50 40 JKGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)o1 14151731 XTZPVFGBAMJERH-GXDHUFHOSA-N 474.498 5.221 50 40 JKGB CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(Br)cc1 15135051 GHEJLKHIXFWHLM-WYMPLXKRSA-N 475.387 5.240 50 40 JKGB CCCn1c(C)cc(C(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)c1C 33499021 BYIPGKPUWIEHNZ-JCMHNJIXSA-N 468.988 6.811 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccccc1Cl 35189828 UJWDUWIPHZYJQT-IUXPMGMMSA-N 487.770 6.780 50 40 JKGB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)N(C1CCCCC1)C1CCCCC1)[C@H](OC(=O)CCl)C2 35262956 SJOHDHIPPUYCTN-VNZMSGEBSA-N 474.107 5.261 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 58912809 FFOLKDUIYAUSGY-UVHMKAGCSA-N 471.388 5.613 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OC 59117522 DKKGEFWHYFTTMC-WUXMJOGZSA-N 470.150 5.709 50 40 JKGB N#C/C(=C/Nc1ccc(Br)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 100056676 HBZDEYMXAGEPEY-KAMYIIQDSA-N 450.317 5.656 50 40 JKGB CC1CCN(C(=O)[C@]23CC[C@@](C)(/C(=N/NC(=O)c4ccc(Br)cc4)C2)C3(C)C)CC1 100869163 YGRMXTYHNVJECM-DCLSQXQQSA-N 474.443 5.010 50 40 JKGB CC(C)N1c2ccc(/C=N/NC(=O)c3cccc(I)c3)cc2[C@@H](C)CC1(C)C 223546630 BUVDOSIUMIANSM-MMDHUZEPSA-N 489.401 5.556 50 40 JKGB COc1ccc(/C(C#N)=C/c2cccc(OCc3ccc(Br)cc3)c2)cc1OC 408580641 QFXLOPLAXDGVJZ-UDWIEESQSA-N 450.332 6.109 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc(N2CCCC2)cc1 408676526 KAYAWCJWEIRKKY-LQKURTRISA-N 468.384 5.937 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(F)cc1 408745603 UCJPAQBTCLOGRA-ODLFYWEKSA-N 495.348 6.030 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408795192 KMLZHUUIYYBNGB-XSFVSMFZSA-N 489.358 7.378 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCC#N 408795554 VRKDMJXDTBWIIS-OVCLIPMQSA-N 474.742 5.258 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(OC)c1 408811411 VLTIDFJWYLLJFF-HYARGMPZSA-N 498.966 6.635 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(C)c1OCc1ccc(Cl)cc1Cl 408851235 AMQRAMUPYWLNDV-KVSWJAHQSA-N 491.802 6.372 50 40 JKGB N#C/C(=C\c1c(Cc2ccccc2F)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 408868373 OGZIUMVKGSUULE-XSFVSMFZSA-N 475.350 7.422 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1Cc1ccccc1Br 408868474 OMFUFMWVUQPEOD-UDWIEESQSA-N 495.804 6.556 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)cc2)c(OC)c1 408874661 DUDRMBLBZCUUMM-PCLIKHOPSA-N 478.548 5.659 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1Cc1cc(C)cc(C)c1 408875986 LYHSGPSAWLMCQO-UFFVCSGVSA-N 479.407 7.064 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 408888430 ZVFZWKVRTSFJRD-LQKURTRISA-N 497.601 5.911 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2C)c1 408943578 UATHWPKNNYBJRK-KVSWJAHQSA-N 476.886 5.164 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccccc1 408967086 PDOLDJXUMCQSDR-CCVNUDIWSA-N 451.885 5.092 50 40 JKGB C=CCOc1cc(Br)c(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OC 409022056 DCDVLRXMKOIOQA-KSEXSDGBSA-N 463.715 5.186 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)c(C)c1 409066434 NAZUMKGFQSQFQX-UYRXBGFRSA-N 466.946 5.270 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OC)c1OCc1ccccc1F 409070252 NQYNPQDLVYWYIY-PXLXIMEGSA-N 472.516 5.696 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccc(Cl)c(Cl)c1 409094371 DVGVIQPNCCUYMP-DEOSSOPVSA-N 497.334 5.528 50 40 JKGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1 409119742 QQZJFCGQPRGDTI-FCLYZYNOSA-N 460.430 6.340 50 40 JKGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 409185789 QCLMNMSVJTYNGK-KBVAKVRCSA-N 499.035 6.872 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 409233505 KWQHLEZQUBVCMP-MNBJERMJSA-N 464.544 6.000 50 40 JKGB Cc1ccc(Sc2ccc(/C=N\NC(=O)COc3ccc(-c4ccccc4)cc3)cc2)cc1 409254230 WISUXPSHFVWIDZ-CEUNXORHSA-N 452.579 6.342 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)ccc1OC 409325747 ANJILUSMRXOLGD-VYYCAZPPSA-N 473.356 5.744 50 40 JKGB COc1ccc(-c2csc(N(NC(=O)Nc3ccc(C)cc3)C(=O)NC3CCCCC3)n2)cc1 1415247 JDANKXPMZQDSJQ-UHFFFAOYSA-N 479.606 5.713 50 40 JKGB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1 2281700 JDQRTVPOILHDHE-KGENOOAVSA-N 474.582 6.269 50 40 JKGB CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 2553677 WEFYIEYZNMZDKD-XSFVSMFZSA-N 466.006 6.420 50 40 JKGB Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 3082195 OBIWVKYKEVLAFR-LMLUNKDASA-N 474.604 6.339 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)N1CCc2ccccc2C1 8721529 GAZJBXSPDKHRCN-HZHRSRAPSA-N 473.370 5.520 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 9263094 IGMGUJVIIYLLBQ-LDADJPATSA-N 486.934 5.927 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)cc(OC)c1OC 13525152 SCLZTFPNLDWCPT-ZCTHSVRISA-N 496.563 5.722 50 40 JKGB CCCCCCOc1ccc(OCCOc2c(Cl)cc(/C=N/NC(=O)OC)cc2OCC)cc1 13897577 NQCKQLMOIXRDRZ-OVVQPSECSA-N 493.000 5.846 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccccc1 15012277 ACMUVLQBVDYGQE-YVLHZVERSA-N 457.744 6.771 50 40 JKGB CSc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2ccc(C)cc2)cc1 20232279 OBJIALYMDKHYPK-UHFFFAOYSA-N 473.664 5.129 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 20348557 LJMYNINDZKKDDT-QHCPKHFHSA-N 479.989 5.137 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccccc2Br)c2ccccc2n1Cc1cccc2ccccc12 20761122 QOXOUZKGKUZPIT-OCSSWDANSA-N 496.408 6.678 50 40 JKGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCCc1ccccc1 22534689 VFEJIJKZERPHKE-XLNRJJMWSA-N 452.945 5.459 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)cc1Cl 28216145 FYKGFEOYKKIGKJ-OPEKNORGSA-N 491.400 5.693 50 40 JKGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 59447338 MSRPUYHJOXDYEQ-DHRITJCHSA-N 458.301 5.173 50 40 JKGB O=C(OC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12 104118241 QVASOVLDVSRQPK-UHFFFAOYSA-N 480.523 7.114 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(Cl)c(Cl)c3)o2)cc1 107736929 CRAUXFZNSDOIMB-MUXKCCDJSA-N 482.367 6.337 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc2c(cc1C)N(C(C)C)C(C)(C)C=C2C 223505421 DZTZGOVVUBLBMT-MZJWZYIUSA-N 484.438 5.940 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc(Br)cc1 408579690 JPSLZMWIHPVKCB-RCCKNPSSSA-N 474.785 7.899 50 40 JKGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1 408725038 NSDTYUCWNCDQSC-MTDXEUNCSA-N 461.481 5.365 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1ccccc1 408741821 LIYLXGMIQCCXLP-YVLHZVERSA-N 468.296 6.026 50 40 JKGB N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl 408767025 YLXLXFAJEYYPNM-SFQUDFHCSA-N 489.362 6.132 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)NCCc2ccccc2)c2ccccc2n1Cc1ccccc1Cl 408809949 HUUVVUPGSOYILO-HAVVHWLPSA-N 453.973 5.917 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(C)c3)ccc3ccccc23)cc1 408817115 ZSDAXWPRROEGMH-HKOYGPOVSA-N 462.549 6.672 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1cccc(C)c1 408851397 JTQQFXVDKLYNNV-UDWIEESQSA-N 464.924 6.311 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(C(C)C)cc1 408858964 RSDJKKXGSAQMHZ-VYYCAZPPSA-N 478.390 6.490 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1 408879947 HZOAJASLBOLFRH-LICLKQGHSA-N 457.744 6.771 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cc(Br)ccc1OCc1ccccc1 408884824 YKCKEQBDOKRMIL-DHRITJCHSA-N 496.386 5.412 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(C)cc1 408887289 PHNHHOVPRWZQAF-WOJGMQOQSA-N 491.887 5.330 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)cc2)c([N+](=O)[O-])c1 408889330 CPPNZILEXRHDGL-PXLXIMEGSA-N 479.492 5.881 50 40 JKGB COc1ccc(OCC(=O)N/N=C\c2cc(Br)c(Sc3ccc(C)cc3)o2)cc1 408907976 ABDUFQRJCIYJLY-FMCGGJTJSA-N 475.364 5.039 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1cccc(C(F)(F)F)c1 408964786 SECDSWZUEHEHDB-VFLNYLIXSA-N 455.867 6.126 50 40 JKGB N#C/C(=C\c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1)C(=O)NCc1ccco1 408987624 BKZFLILFMSNKRO-LDADJPATSA-N 456.483 5.111 50 40 JKGB Cc1cc(/C=N\NC(=O)c2ccc(Br)cc2)c(C)n1-c1ccccc1Br 409001955 RFTWIKHVKZBIOU-FMCGGJTJSA-N 475.184 5.383 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1)C(=O)Nc1ccccc1Cl 409045022 XLOLAUHVZNUPAK-CXUHLZMHSA-N 475.734 6.911 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)c1ccccc1 409231540 JRGUYXYASROXDH-VJOZSWGJSA-N 477.923 5.281 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1 409236711 GSLTXOBMAMRGFH-OPEKNORGSA-N 475.401 5.222 50 40 JKGB N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)NCCCc1ccccc1 409240578 UOOFHMZBWKVERU-QJOMJCCJSA-N 453.973 5.999 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)cc2)cc1OCC 409325433 YNZMKONKDTZHIF-QRQIAZFYSA-N 466.965 5.870 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(F)cc3)C2=O)cc1 1790108 PYDANSOGYKCDRV-YDYXIROLSA-N 491.975 5.853 50 40 JKGB N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 2143391 MXMHIQFIZWLBKE-RUZDIDTESA-N 473.359 6.944 50 40 JKGB Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nnc(-c3ccc(CBr)cc3)o2)cc1 2273211 PEVMBVJRIJMRPT-UHFFFAOYSA-N 484.375 5.408 50 40 JKGB Cc1cc(C(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)c2ccccc2n1 3090093 SAHGZYJJPMBSSS-JFLMPSFJSA-N 474.358 5.649 50 40 JKGB CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 8780698 NEBHSRHRODTELL-AMDUWKQBSA-N 482.466 5.990 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]12 8954664 SHGQHJXEYIXIDA-QGAYDTHSSA-N 467.572 6.307 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccc(F)cc3)Nc3ccc(Cl)cc3[C@@H]2[C@@H]1Cl 9035473 ZFEGTITZQRQEDZ-FPVDIDMMSA-N 489.399 7.426 50 40 JKGB CCCCc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 12273780 PZVDMOVVQFBYFB-HFVAWESISA-N 481.621 6.094 50 40 JKGB COc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 14165871 RBODHCSXSNEIEG-RPPGKUMJSA-N 476.429 5.793 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccc(C)cc1 15277336 GRHAFDZMXDDIGT-KEBDBYFISA-N 481.379 6.825 50 40 JKGB CCCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(SC)cc2)/C(=C/c2ccc(SC)cc2)C1 17610636 RMDXCEMHNIWKNP-SUUHDTSPSA-N 475.683 6.001 50 40 JKGB C=CCN(c1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1)S(=O)(=O)c1ccccc1 19937028 JVRUBKAWKOEBRP-WGOQTCKBSA-N 488.396 5.139 50 40 JKGB C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 22707326 MQRGQHDYQGUSJZ-ZMFRSBBQSA-N 471.300 5.308 50 40 JKGB CC/C(=N/NC(=O)c1cc(-c2ccc(CC)cc2)nc2c(Cl)cccc12)c1ccc([C@H](C)CC)cc1 22818522 DXZVDMLQONXKDZ-NIMQFJJWSA-N 498.070 8.175 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 39884753 QGRVUMKAKWLWFX-MDWZMJQESA-N 451.231 6.818 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cccc2ccccc12 59335660 AIRAHAFGOWJPOO-DIBXZPPDSA-N 458.561 7.001 50 40 JKGB N#C/C(C(=O)CN1CCC(Cc2ccccc2)CC1)=C1/NC(c2ccc(Cl)cc2)=CS1 97819745 JMOQGTSUDPDHMH-YYDJUVGSSA-N 450.007 5.234 50 40 JKGB O=C(N/N=C/[C@H]1C[C@@H]2C[C@@H]1[C@@]1(F)C(F)(F)C(F)(F)[C@]21F)c1sc2ccccc2c1Cl 100337239 CQBOJQYDZLICJW-BYDPCBELSA-N 466.834 5.627 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc2ccccc12 107894754 JRJRFDRMKOYETH-UUYOSTAYSA-N 470.912 7.053 50 40 JKGB C[C@@H]1CC(C)(C)N(Cc2ccccc2)c2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc21 226073667 KWNIYDVNWWUOLZ-XHCCPWGMSA-N 481.640 6.430 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccccc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 408532778 QYRGKUXCDFSFBG-OGLMXYFKSA-N 468.513 5.198 50 40 JKGB COc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)[C@H](Br)c2ccccc2)cc1OC 408677725 DZXHBAQTIMNTNL-GGAORHGYSA-N 469.331 5.248 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc2ccccc2c1 408745792 VQFRBRDBWJPGRK-QQXSKIMKSA-N 462.549 6.672 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(OCc2ccc(Br)cc2)c1 408798955 GLPULFSTBLDMCD-FYJGNVAPSA-N 491.385 6.199 50 40 JKGB Cc1ccc2ccccc2c1COc1ccccc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 408803866 UFSOUDUSUBMWHE-PXLXIMEGSA-N 463.493 6.181 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)cc2Cl)c1 408808900 FWQIWZMWVVNCPH-ZDLGFXPLSA-N 455.316 6.566 50 40 JKGB Cc1cccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1 408847547 STDZWEWBYLCPMF-AJBULDERSA-N 491.547 5.159 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccc(F)cc1 408853512 OWUCYTVGNNPNQY-WOJGMQOQSA-N 468.887 6.142 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1Cc1cc(C)cc(C)c1 408871517 GZHLIARFXSHESZ-SSDVNMTOSA-N 493.434 7.454 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)c1OCc1ccccc1Cl 408880038 GSAODBLXEIXLIC-CPNJWEJPSA-N 467.352 6.435 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 408885504 BBWXLSVHCAWIMZ-MZJWZYIUSA-N 457.357 6.043 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1ccc(Cl)c(Cl)c1 408887728 QRCNUTYYWNQOER-OKCVXOCRSA-N 493.390 6.888 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC(=O)c3cccc4ccccc34)c2)c([N+](=O)[O-])c1 408892465 ZTCZEFHDCUFUBS-RCCKNPSSSA-N 477.476 5.821 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)c2)cc1 408941632 XLJAEEDRDFZAOB-UNOMPAQXSA-N 466.946 5.270 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OCC)c1OCc1cccc(Cl)c1 409073859 IZNFNBVSDPDCND-MFKUBSTISA-N 486.999 6.270 50 40 JKGB N#CC1=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)NC(=O)C[C@H]1c1ccc(Cl)cc1 409319100 AFPWRPJGXCOPBY-INIZCTEOSA-N 465.884 5.069 50 40 JKGB CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1ccc(OCc2ccccc2)cc1 2176411 VRCSAQTUYOTSMI-AXNZHVIBSA-N 497.389 5.344 50 40 JKGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(CSc2cc(Cl)ccc2Cl)c(C)cc1C 2727738 RZZSKTDHBYOTTO-QFIPXVFZSA-N 489.424 6.157 50 40 JKGB CSC1=C(C#N)[C@@H](c2ccccc2Cl)C[C@@](OC(=O)c2ccccc2)(c2ccccc2)N1 3670792 CQSZTXJDLPGIHZ-QFQXNSOFSA-N 460.986 6.225 50 40 JKGB CC[C@@H](C)c1ccc(OCCOc2c(Cl)cc(/C=N/NC(=O)Nc3ccccc3)cc2OC)cc1 4207703 LZNBMJAJPGYTKB-YPKLGXIKSA-N 496.007 6.476 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)C(C#N)=C(SCC(=O)OC(C)C)N1 6015256 YPKKROMCJGETGE-HSZRJFAPSA-N 482.005 5.359 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc2ccccc12 8438233 ACXYRMQWMRCKJR-MUUNZHRXSA-N 494.591 6.268 50 40 JKGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OCc4ccccc4)cc2)C(C#N)=C(N)O3)cc1 9009133 LMHMXQWCBUVRTA-RUZDIDTESA-N 478.552 5.663 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1nc2ccccc2[nH]1 9187421 JQJIXADJJDTLAA-GHRIWEEISA-N 478.430 5.543 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2Br)c1C 9263092 ZSFLLYKHZSPZQS-WOJGMQOQSA-N 468.782 6.364 50 40 JKGB CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)c1ccc(Cl)cc1)=C(C#N)[C@@H]2c1ccco1 12250270 OPQNGCACJFASGZ-OAQYLSRUSA-N 452.963 5.614 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccccc1Cl 13564480 DUXLTJQQCKJXGT-IMRQLAEWSA-N 476.005 5.529 50 40 JKGB CC(C)c1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)NC3=C2C(=O)CCC3)cc1 20347673 VBQSGDWOSRPYJI-RUZDIDTESA-N 457.599 5.611 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCc1ccc(C)cc1 28217987 PLKPCCVWUVKNQJ-VULFUBBASA-N 467.363 5.417 50 40 JKGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 32519907 NYDRUUILJXJNQG-RPPGKUMJSA-N 485.396 5.691 50 40 JKGB CN(C)c1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2cccc(C(F)(F)F)c2)C3)cc1 33350008 BQZIBRRITWQEKV-NUJZUDFISA-N 452.480 5.056 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2cccc3ccccc23)cc1OCC 33586344 VRZBPBXFQZWFMC-VEILYXNESA-N 452.982 6.615 50 40 JKGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)cc1 34764532 XVMCFZVEQUYXIN-AFUMVMLFSA-N 484.350 5.608 50 40 JKGB COc1ccc(C(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c(OC)c1 34864694 FQVJOAYKKGEGEU-MUFRIFMGSA-N 474.944 5.853 50 40 JKGB N#C/C(=C\c1cccc(OCc2c(F)cccc2Cl)c1)C(=O)NCc1ccc2c(c1)OCO2 59255523 JZMHNHDXDZDDFO-GIJQJNRQSA-N 464.880 5.010 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccccc1Cl 59536459 BLWZDZWYNWTXKX-XDHOZWIPSA-N 467.352 6.517 50 40 JKGB Cc1cc(C)cc(P(CP(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1 100249123 PPYKRIVFPTWIJA-UHFFFAOYSA-N 496.615 7.677 50 40 JKGB Oc1ccccc1/C=N\c1ccc(SSc2ccc(/N=C/c3ccccc3O)cc2)cc1 100892178 WORJHOARZNZREI-HJVIKEODSA-N 456.592 7.398 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408526903 HRVLHKZGJOYMNV-KKMKTNMSSA-N 493.774 5.764 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 408586210 LXHJEAABGKLPJO-IUXPMGMMSA-N 479.190 7.952 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1C 408611448 WHDLCXKFZZAOML-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1cccc(C)c1 408754003 LMAADFDARACIFM-HAHDFKILSA-N 487.397 6.611 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)c1ccc(F)cc1 408781304 CAKCYZHVSWLHCL-DHDCSXOGSA-N 462.786 7.263 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc2ccccc2c1 408794529 IVHVDVDCQLOVFT-YDZHTSKRSA-N 468.940 6.626 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Br 408795125 LBMHZBQEEHMATH-CXUHLZMHSA-N 488.179 5.386 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c1C 408798560 VSWSOQUKIRKRPT-UDWIEESQSA-N 479.349 6.330 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2C#N)c2ccccc12 408803453 PCGZRNMIOAIOIG-FYJGNVAPSA-N 450.929 6.069 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OCc1ccc(C(=O)O)cc1 408807680 DLCNGWMQBDACEE-HMAPJEAMSA-N 486.499 5.386 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Br)cc1)C(=O)Nc1ccc(Cl)cc1 408864842 AILDXUNKNZBDLM-XMHGGMMESA-N 451.751 6.239 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1cccc(Cl)c1Cl 408879340 FRQUZKUAUMXKCV-XMHGGMMESA-N 487.342 6.911 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1cccc(Cl)c1 408883580 VRPATOXUECEVNE-KBKYJPHKSA-N 468.167 6.643 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(OCc2ccccc2F)c1 408884883 YWTTUTAUFRVDCT-XDHOZWIPSA-N 450.897 5.921 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Br)cc1 408891555 SIXYZAVAPBAUGJ-DEDYPNTBSA-N 495.804 6.790 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2ccc(OCc3cccc(C(=O)O)c3)cc2)ccc1Br 408905217 VHZOOOYIGDRYMF-MXAYSNPKSA-N 482.334 5.190 50 40 JKGB COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1 408969004 FPNCTMGFIBGOAF-NDZAJKAJSA-N 495.535 5.155 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 409042679 OCDMCKGNVYPRMI-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1 409044981 WXBXIMXIWUUBTG-OQLLNIDSSA-N 476.168 5.631 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c(Cl)c1 409054339 VASCRUQWLHHRLO-LUOAPIJWSA-N 482.194 6.952 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3o2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409071204 IORMKQUZWMGBJU-FOWTUZBSSA-N 466.902 5.322 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)cc2c1 409188512 ZUIYOJGPODAADT-RHANQZHGSA-N 457.574 6.300 50 40 JKGB COc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2cccc3ccccc23)c1 409219622 OLFIWSXBXHXJIQ-NTFVMDSBSA-N 458.901 5.485 50 40 JKGB O=C(NN=Cc1ccccc1OC(=O)c1ccccc1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 409222110 BFDCSTDTRIZHFA-UHFFFAOYSA-N 497.938 5.575 50 40 JKGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc(Br)cc1)c1ccccc1 409223941 JJWAPQCYELKBLF-CFRMEGHHSA-N 457.711 5.086 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1 409366416 UYKIJHAFAWAMBR-NTFVMDSBSA-N 495.417 5.736 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccccc1Cl 1438743 SLCZMYOUPOPOIZ-UDWIEESQSA-N 476.916 5.562 50 40 JKGB N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2339869 KMJGMIXMDRBGIR-HVBJHMBASA-N 473.985 5.083 50 40 JKGB N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 2401485 BPTPCFPVSLOOFK-SCIJIFGBSA-N 495.938 5.683 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3cccc(C(F)(F)F)c3)c2C)cc1[N+](=O)[O-] 4062319 OKIOBRIMUQUPOY-UVHMKAGCSA-N 458.440 5.022 50 40 JKGB Cc1cc(-c2n[nH]c3c2[C@H](c2c(C)nn(-c4ccccc4)c2Cl)C(C#N)=C(N)O3)c(C)s1 4167868 PUUURLLNTVWUMK-SFHVURJKSA-N 462.966 5.121 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2cccc3ccccc23)ccc1OCc1ccccc1C#N 8874935 IRJKSSOHXSPVFV-FDAWAROLSA-N 495.604 5.932 50 40 JKGB CCn1c2ccccc2c2cc(N/C=C(\C#N)c3nc(-c4cccc(Br)c4)cs3)ccc21 9057807 PBTIWXCVUZQAND-OBGWFSINSA-N 499.437 7.677 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 9200746 ONBQKOCQHSIAJW-DHRITJCHSA-N 498.333 5.017 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1 10475927 KIJGQMUUNGVPFL-JFLMPSFJSA-N 457.357 5.664 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 10476051 XSFOLLDKSBHUDF-UXHLAJHPSA-N 472.972 6.164 50 40 JKGB C/C(=N\NC(=O)c1cccc(N/N=C(\C)c2cc3ccccc3o2)c1)c1cc2ccccc2o1 12564095 DAFUAZCCEMLBNM-POAOKBCDSA-N 450.498 6.169 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 28216151 PBJCPTJCGAONKY-OPEKNORGSA-N 491.400 5.693 50 40 JKGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 33383258 VVMDVSBQMZTXID-VULFUBBASA-N 456.483 5.024 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1ccccc1Cl 58823989 NOMMMIABNBDICA-VULFUBBASA-N 487.781 5.844 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 59281854 VZLXHGSUNSHDEV-LFIBNONCSA-N 482.279 5.666 50 40 JKGB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)/C(C#N)=C\c4ccc(Cl)cc4)cc3)sc2c1 97994588 RXYBWLOYBQZSTL-UYRXBGFRSA-N 487.968 6.014 50 40 JKGB CC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103527810 QPJJVQFWPGRKKQ-BYPYZUCNSA-N 452.045 5.694 50 40 JKGB CCO[Si](CCCCCCCCCCCON1[Si](C)(C)CC[Si]1(C)C)(OCC)OCC 198066025 WLIKIUQNZMMUPC-UHFFFAOYSA-N 491.938 7.203 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccc2ccccc2c1 408548619 JUZYBJLOMDVAQD-YUMHPJSZSA-N 490.400 8.399 50 40 JKGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408612902 XJESJPOQJDBCNL-RWPZCVJISA-N 498.366 5.226 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2)cc1 408762428 KJXNHBZLUDRRJY-AQTBWJFISA-N 497.370 5.071 50 40 JKGB N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)Nc1cccc(Br)c1 408782188 ILCBBFZDBYUGKT-RAXLEYEMSA-N 465.332 5.615 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)o1 408849776 YXQHSIIFXXSKAJ-KSEXSDGBSA-N 468.263 5.436 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3ccccc3F)c(OC)c2)cc1 408873738 WPVYFRTVOAHHFY-UDWIEESQSA-N 493.376 6.296 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c1OCc1ccccc1 408888889 CJZPUEJELFWCAN-LICLKQGHSA-N 498.322 6.035 50 40 JKGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 408906750 KAEYPQWSONFEJU-QVKATGLSSA-N 495.579 5.226 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1cccc(C)c1 408949627 IOBVMYUCOXDPNB-QRVIBDJDSA-N 499.998 5.983 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3F)c2C)cc1Cl 408985747 YHSHCXWLHHYSCQ-MFOYZWKCSA-N 486.772 6.503 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Cl)c1OS(=O)(=O)c1ccccc1 409068526 RUQOTFXOMQDZDT-SFQUDFHCSA-N 480.929 5.712 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1OCc1ccc(C(=O)O)cc1 409187249 OADNWQFOFTYCCQ-UYRXBGFRSA-N 462.889 5.171 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)NC1CCCC1 409194445 LMUGJTWDSBQRSK-CHHVJCJISA-N 484.210 6.845 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 409201066 LOTPKHQJSOYXQO-YVNNLAQVSA-N 450.303 5.404 50 40 JKGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1 409223382 ZGUNFKZLCCKOHJ-ODLFYWEKSA-N 467.447 5.445 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccccc2OCc2ccc3ccccc3c2)n1 409242702 SMPUGELKKCTYFL-JFLMPSFJSA-N 456.571 5.068 50 40 JKGB COc1cc(C(=O)N/N=C\c2cccc(OCc3ccccc3)c2)ccc1OCc1ccccc1 409316566 LMLBHKILSXCVFF-FSGOGVSDSA-N 466.537 5.617 50 40 JKGB CCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OC 409334689 MIPKNYGIYOJWAM-VEILYXNESA-N 462.546 5.226 50 40 JKGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 409366904 WZPYFBFACNOAGB-LGJNPRDNSA-N 472.770 5.244 50 40 JKGB COc1cc([C@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(Cl)c(Cl)c1 409369228 ILPBAALYQQTVGW-HXUWFJFHSA-N 476.429 5.924 50 40 JKGB Cc1ccc(C)n1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 409385809 KYDDEILLTQQHCO-DEDYPNTBSA-N 477.395 6.400 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 935249 YNYZFRDDVUFFGX-YMGIJWJESA-N 491.975 5.853 50 40 JKGB N#CC1=C2NC(=O)c3c(sc4c3CCCCC4)N2C2=C(C(=O)CCC2)[C@H]1c1ccccc1Cl 1065433 SFNNVRMYOKKVAX-NRFANRHFSA-N 476.001 5.760 50 40 JKGB O=C(c1ccccc1)[C@]1(c2ccccc2)SS[C@]1(C(=O)c1ccccc1)c1ccccc1 1702112 COXRUMPIUMQNQX-NSOVKSMOSA-N 452.600 6.938 50 40 JKGB CC(C)c1ccc2c(c1)/C(=N/NC(=O)c1ccc(CSc3ccc(Cl)cc3)cc1)C(O)=N2 3317308 XYSQMMCJHSCXBN-UHFFFAOYSA-N 463.990 6.491 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 6573657 GLSZKNUZCJEHNK-UVTDQMKNSA-N 482.290 5.562 50 40 JKGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 8809548 REXJFUCUJMDHHC-RWPZCVJISA-N 455.901 5.218 50 40 JKGB COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c([N+](=O)[O-])c1 9445022 HVUQPOXNTFCQPI-HMMYKYKNSA-N 454.511 6.370 50 40 JKGB N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 13778585 CQAFRFACGSHYDG-IQQNDYETSA-N 495.938 5.683 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)c2C)c1 28216856 GQHOXUDSFDJPAE-BIZUNTBRSA-N 476.624 5.725 50 40 JKGB CCOc1ccc(Br)cc1/C=N\NC(=O)COc1ccc(-c2ccccc2)cc1 30840612 ZJIFZBPHVVIKMM-MYYYXRDXSA-N 453.336 5.044 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 33660023 QGKPJZZFNNSWFB-QRQIAZFYSA-N 453.498 5.328 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(C(=O)O)c1 33732927 VRLPFVXSVDGIEL-ZDLGFXPLSA-N 467.308 5.816 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Br)c(OC)c(Br)c1 35103527 HXCFWTJBQRMSLP-FOKLQQMPSA-N 492.167 5.146 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1cccc(C)c1 35251869 CMANZEVUGHKFID-NHDPSOOVSA-N 493.357 6.708 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 58913287 RUVQDYQQZISXON-IPBVOBEMSA-N 497.304 5.509 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 59297416 HLBRKLFRQRHAPZ-MHWRWJLKSA-N 482.279 5.666 50 40 JKGB Cc1cccc(COc2c(Br)cc(/C=C(/C#N)C(=O)N(C)C)cc2Br)c1 59333944 BTOFHZGXAJNSNP-PXNMLYILSA-N 478.184 5.094 50 40 JKGB CC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=c1/cc(C)c2cc3c(cc2o1)OC1(CCCCC1)CC3 80324638 VWBLBGJUDGGAAQ-RMWQGCJTSA-N 483.609 5.004 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 108283698 UUOOTCGUXODFCH-HKWRFOASSA-N 489.443 7.677 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 408538128 JNHZBJQGBASNSJ-HKWRFOASSA-N 470.997 6.642 50 40 JKGB CCCCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1C(F)(F)F 408540337 QITRSWBAIQXOOZ-NTFVMDSBSA-N 454.920 6.862 50 40 JKGB N#C/C(=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1nc2ccc(F)cc2[nH]1 408570738 XXXOVQGWKCMCGB-UYRXBGFRSA-N 464.456 6.407 50 40 JKGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 408611447 QZHRYTWCYQTXOQ-RWPZCVJISA-N 498.366 5.226 50 40 JKGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1 408719882 NXDVADGROJNDGN-LQKURTRISA-N 485.565 5.711 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC 408725573 KTRVHLZDGFMBDJ-ATVHPVEESA-N 471.351 5.357 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1 408735857 YORIBZPNWRXXQC-LDADJPATSA-N 490.788 6.651 50 40 JKGB N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(I)cc1 408761448 FKVUJFSHZHTEHX-KAMYIIQDSA-N 485.237 5.005 50 40 JKGB Cc1c(Cl)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1C 408765458 PUMHEWUCSCYNMX-WQRHYEAKSA-N 468.782 6.364 50 40 JKGB COc1cc(/C=C(\C#N)c2ccccc2)ccc1OCc1ccc(I)cc1 408782531 HWMAXDGMODGOTO-DEDYPNTBSA-N 467.306 5.943 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1cccc2ccccc12 408787456 AIXKUSORYHEOQW-XQNSMLJCSA-N 464.521 6.069 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccccc1Cl 408810484 JEFDOEUOQZMONO-WQRHYEAKSA-N 485.342 6.656 50 40 JKGB CC(C)c1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)cc(C(C)C)c1O 408848331 UACCRTOVJOFYFM-NUGSKGIGSA-N 498.215 5.634 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1 408874847 DKIFNVBQZDFKQZ-FYJGNVAPSA-N 491.385 6.145 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 408888167 XLMHAMRDTQEAFK-GXDHUFHOSA-N 468.263 5.172 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCc1ccc(Cl)cc1 408971984 MZWSWXBQCOGHRL-MZJWZYIUSA-N 464.905 5.446 50 40 JKGB CCN(CC)c1ccc(/C=N\NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1 408973367 YRBOKDVNTADYAF-MYKKPKGFSA-N 454.810 6.472 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 409044292 BPUNWHRUHDWEOO-RQZCQDPDSA-N 459.716 7.198 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1OCc1ccccc1F 409071181 FQRVXAAIJGZTRY-PXLXIMEGSA-N 490.962 6.731 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1cccc2ccccc12 409132860 RTSDKWLVZXPJOS-SANMLTNESA-N 452.510 5.242 50 40 JKGB N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2339865 KMJGMIXMDRBGIR-GFPZRUSRSA-N 473.985 5.083 50 40 JKGB N#C/C(=C\Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)S(=O)(=O)c1ccccc1 6088299 SFEFHCXAHWISLZ-QGOAFFKASA-N 479.867 5.797 50 40 JKGB O=C1Oc2ccc([N+](=O)[O-])cc2[C@H]2c3sc(=O)n(-c4ccccc4)c3S[C@H](c3ccccc3)[C@H]12 9427791 INXHNHDHJSVIEL-NJDAHSKKSA-N 488.546 5.321 50 40 JKGB COc1ccccc1C(=O)NC1=C(C#N)[C@@H](c2ccc(Cl)cc2)c2c(ccc3ccccc23)O1 9434858 XIUWYRZZBBNWFX-RUZDIDTESA-N 466.924 6.191 50 40 JKGB C=CCc1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2)c(OC)c1 9762885 WAOJNXKOCIGWLL-HKOYGPOVSA-N 468.553 5.736 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)c(F)c1 9849487 RJPSOKGBLAUUSQ-XAZZYMPDSA-N 492.337 6.500 50 40 JKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1 10059557 LGYFUTWIHSLIMM-IUUQDGFPSA-N 494.975 5.610 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 10475961 NWHGPIMODWFKMC-JFLMPSFJSA-N 457.357 5.664 50 40 JKGB COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc(OC)c1OCc1ccc(F)cc1 12418891 OAYXSGSCZLKWGH-UDWIEESQSA-N 495.514 5.126 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1cccc([N+](=O)[O-])c1 12466012 NKOBWSMJWGCQEX-MTJSOVHGSA-N 494.023 5.025 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1cc(Br)ccc1O 14408664 PRCVOPMOBTWDMN-OPEKNORGSA-N 494.172 5.804 50 40 JKGB COc1cccc(/C=N\NC(=O)CSc2cccc3ccccc23)c1OCc1ccc(C#N)cc1 15945289 WNTOPDPHGAAXCU-LQNQUEJISA-N 481.577 5.541 50 40 JKGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C(C)=O)=C(C)N1 20347730 ZVSWKGOMWPGADH-DEOSSOPVSA-N 466.006 5.559 50 40 JKGB COc1ccc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(F)cc1F 23375189 ZLWJFBBPVXPLIN-NBGIEHNGSA-N 472.495 5.146 50 40 JKGB Cc1ccc2nc(/C(C#N)=C/c3cc(Br)cc(Br)c3OC(C)C)[nH]c2c1 32099439 RKWFYNZWGUBQDY-VGOFMYFVSA-N 475.184 6.248 50 40 JKGB CCOc1cc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)ccc1O 32576880 ZIAIKVJYYGBOEC-VYYCAZPPSA-N 495.004 5.085 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 33633007 XJJCOHACKLCJRB-PPDIBHTLSA-N 490.774 5.737 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12 33906471 KQTJAYKWAVKMCL-JVWAILMASA-N 455.470 5.100 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccccc1Cl 34779816 SLCZMYOUPOPOIZ-NDENLUEZSA-N 476.916 5.562 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)o2)cc1 58915828 GPJBUCZMAJARPB-PVLQNKMRSA-N 456.951 5.408 50 40 JKGB N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc(Cl)cc1 59117002 AIUSOUXTKZFXMZ-PTNGSMBKSA-N 471.727 6.412 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1 59292078 PLDUFXVQLGLZEI-RGVLZGJSSA-N 495.804 6.844 50 40 JKGB CCCCOC(=O)N/N=C/c1ccc(Sc2nc3ccc(OCC)cc3s2)c([N+](=O)[O-])c1 59459222 AURYWGXWBLYTTO-LPYMAVHISA-N 474.564 5.615 50 40 JKGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)o2)ccc1Cl 408535486 YNEZJYGCDHJSPS-XKJRVUDJSA-N 493.869 5.358 50 40 JKGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 408567425 NEZFSJLZUVUCSB-AFUMVMLFSA-N 484.350 5.608 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1 408724013 CHHZTLOZAGLDFF-OCSSWDANSA-N 485.374 6.763 50 40 JKGB COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3cccc(C)c3)n2)cc1 408725453 PDQDAGWSAFFNSV-ZCTHSVRISA-N 488.547 5.551 50 40 JKGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408738104 NWIABIRMYZLJSG-RPPGKUMJSA-N 491.744 5.350 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 408746746 GNRSBXXLCKQMNB-ONUIUJJFSA-N 496.010 6.550 50 40 JKGB CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1Br 408760494 ZQRKFILOBVNQCY-YDZHTSKRSA-N 491.183 5.165 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(I)cc3)c2C)c(C)c1 408771952 JGCAMVKBZJDLTM-MOSHPQCFSA-N 495.364 5.861 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2c(C)cc(C)cc2C)c(OC)c1 408805282 FTKQVECGBTVUBO-CIAFOILYSA-N 490.987 6.407 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1 408809552 HVEHQTNTTURRJC-XQNSMLJCSA-N 466.968 7.235 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 408811582 KKROHBBFGJQLTG-HAVVHWLPSA-N 494.522 6.280 50 40 JKGB Cc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc(C)c1OCc1ccc(Cl)cc1 408854203 ZPIXVNGEQLNVJZ-LGJNPRDNSA-N 483.977 5.686 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408858931 UPRIKNSFQGPWHS-WOJGMQOQSA-N 485.342 6.656 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)c(C)c1 408911782 OICMARIRNAJSCK-STBIYBPSSA-N 464.537 5.203 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2)c1OCc1ccc(Cl)cc1Cl 408925006 QAAPAYNICTVJDG-LDADJPATSA-N 453.325 6.127 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1Cl 408985118 VLWKAFDPNCHHDC-JYRVWZFOSA-N 452.810 5.271 50 40 JKGB N#C/C(=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(O)cc1 409080263 MNCAAKAMSUMPQN-RVDMUPIBSA-N 469.375 5.657 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1cccc(C(F)(F)F)c1 409090783 QDYAACZKQAXLGS-XNTDXEJSSA-N 498.373 5.860 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409092943 WZXAPQFILYGROZ-FOWTUZBSSA-N 483.402 5.960 50 40 JKGB C=CCOc1c(Br)cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1OC 409185366 XZTZJVCSCIMQIS-FOKLQQMPSA-N 483.815 5.059 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 409259530 AFTRBJVONPBEJG-ODLFYWEKSA-N 494.378 6.173 50 40 JKGB COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1OC 409311878 CGSOLOTVQSCRKG-ZMFRSBBQSA-N 459.329 5.354 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1OC 409323442 PAYAESZAEKESSI-QDTIIGTASA-N 491.346 5.883 50 40 JKGB COc1cc(/C=N/c2cc(Cl)c(Cl)c(Cl)c2)ccc1N(CCCl)CCCl 1711041 KEHASLBEEYULQT-BHGWPJFGSA-N 454.612 6.690 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c1C 4062325 UPRLOMROVYOVLI-UVHMKAGCSA-N 458.440 5.022 50 40 JKGB COC(=O)c1cc(-c2ccc(/C=N\NC(=O)c3cc4c(ccc5ccccc54)o3)o2)ccc1Cl 8437763 OIQGMNWKSIMYAR-MUXKCCDJSA-N 472.884 6.050 50 40 JKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c(Br)c1 9057805 SJWHKTXMBCYEQO-GXDHUFHOSA-N 475.209 6.620 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccc(Cl)cc1 9195761 DJBDFLDNKPYOEP-IMRQLAEWSA-N 476.005 5.529 50 40 JKGB C/C(=N\NC(=O)c1ccc(OCc2ccc(Br)cc2)cc1)c1cccc([N+](=O)[O-])c1 9227368 OGVQPPMFXKVDSZ-BUVRLJJBSA-N 468.307 5.090 50 40 JKGB CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCOC)cc1 9463006 YBFGGPPYPIQTAL-PYCFMQQDSA-N 474.630 5.491 50 40 JKGB CCn1c(SCC(=O)N/N=C(/C)c2ccc(Cl)cc2)nnc1-c1ccc(C(C)(C)C)cc1 9762483 GAVLCFXEHSKDBW-QQXSKIMKSA-N 470.042 5.548 50 40 JKGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12 19947824 QDMGOXIWAAMCOP-TWKHWXDSSA-N 493.588 5.339 50 40 JKGB C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1)c1ccccc1 28214880 VYSBIJPIRXITFD-XTFCHBONSA-N 496.032 5.229 50 40 JKGB Cc1cccc2c(-c3ccccc3)c(-c3ccccc3)n(CCC(=O)N/N=C\c3ccc(C(C)C)cc3)c12 32665880 ICEWSKUKKWJICK-NHYZDEDTSA-N 499.658 7.948 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCC(=O)Nc1ccc(C)cc1 34798950 UAORRQKZSZDKDV-WQRHYEAKSA-N 495.348 5.987 50 40 JKGB CCCCCOc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2cccc(C)c2)c2ccccc21 46085002 WOYHYUUHIDTSGV-PNOGMODKSA-N 485.584 5.010 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1cccc(Br)c1 58871380 NUFBTGGMFGJTHG-JVWAILMASA-N 459.343 5.945 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cccc(Cl)c1 59255739 SQPBQQMNKDXGFE-VXLYETTFSA-N 467.352 6.435 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc(C)c2)cc1 59272393 VGUNCLKWIADLEE-XKZIYDEJSA-N 491.385 5.569 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 59536275 IEZQCWGRTJSFOD-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 98010048 UJHJTMNUYJVQRO-WQRHYEAKSA-N 493.903 5.390 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccccc1O 100858482 ZLXYMPZHUNRETN-BUVRLJJBSA-N 480.640 5.322 50 40 JKGB N#C/C(=C/Nc1ccc(Br)cc1F)c1nc(-c2cc3ccccc3oc2=O)cs1 100934337 CBFNPNRLVRNUMC-RAXLEYEMSA-N 468.307 5.795 50 40 JKGB O=C1Oc2ccc([N+](=O)[O-])cc2[C@@H]2c3sc(=O)n(-c4ccccc4)c3S[C@@H](c3ccccc3)[C@@H]12 102705807 INXHNHDHJSVIEL-ACRUOGEOSA-N 488.546 5.321 50 40 JKGB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)[C@H](Br)[C@]2(C)[C@@H]([C@H](C)OC(C)=O)CC[C@@H]32)C1 118923873 AADCNQYPXUSRGN-HLUAALETSA-N 497.470 5.081 50 40 JKGB COc1cc(F)c(Oc2ccccc2)cc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1 408568817 LFBMDFGOCIFRJS-JFLMPSFJSA-N 498.601 5.634 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 408578782 AVLIOAJAIFCJPK-FYJGNVAPSA-N 467.974 6.187 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1C 408676703 MLVOOHNOTFGWSW-JVWAILMASA-N 450.970 5.120 50 40 JKGB O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br 408689525 SBGNIKIVFOLWBX-RCQJKQRMSA-N 478.342 5.142 50 40 JKGB N#C/C(=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408760576 BBIBUUXVAFZVAI-PTNGSMBKSA-N 482.279 5.666 50 40 JKGB CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CSc3nc4ccccc4o3)cc2)cc1 408762367 KJQABCCTXTZUEO-LQKURTRISA-N 487.581 5.587 50 40 JKGB N#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl 408799352 YSPWPYRYRNWYDF-XDHOZWIPSA-N 478.335 6.020 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1cccc(Cl)c1 408806438 DXWGPBGNRRXLFY-VCHYOVAHSA-N 453.325 6.127 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3F)ccc3ccccc23)cc1 408877638 WREPROUXEFBDAD-HAVVHWLPSA-N 464.496 5.902 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1 408900884 YPEAYGMCSNRVMK-LTGZKZEYSA-N 452.485 6.112 50 40 JKGB COc1cc(/C=N\NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc(OC)c1OC 408969935 XFRLOHVHLOGXQF-NYAPKIOYSA-N 473.765 5.651 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 408982127 GBYVNYUKMOIJDH-IUXPMGMMSA-N 489.761 7.219 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409007400 OKEUPHHEXNTMIC-CPNJWEJPSA-N 475.932 5.220 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 409044712 WUJDAAYSOJMPGD-GIJQJNRQSA-N 471.771 7.080 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1 409212873 RVIHSUMIFKZQIL-KKMKTNMSSA-N 493.387 5.963 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1 409227735 VXOQRWQUBXIFHR-LDADJPATSA-N 480.351 5.865 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccccc1 409229283 MOELCFYFPLAEHE-PRFTXADPSA-N 455.561 6.627 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1 409248758 INOGOVJKZQXKEX-UNOMPAQXSA-N 467.447 5.445 50 40 JKGB N#C/C(=C\c1cccc(OCC(=O)Nc2ccccc2Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 409253830 YKICAOLMVVKURJ-GZTJUZNOSA-N 499.876 5.922 50 40 JKGB O=C(CNc1cccc2ccccc12)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 409389970 BGXKASSXNYVWAC-DPNNOFEESA-N 493.994 6.788 50 40 JKGB O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Cl)cccc2c1-c1ccccc1)c1ccccc1 409395272 LVAXMPHUFXFYLR-UHFFFAOYSA-N 493.950 6.471 50 40 JKGB Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(F)cc1Cl 650538 HDZFRKCKADDSSL-QHCPKHFHSA-N 452.913 5.490 50 40 JKGB COc1cc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1cccc(F)c1 716159 JYHVMBPVCLDVEK-PXDATVDWSA-N 454.505 5.007 50 40 JKGB Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc(F)cc4)o3)s2)cc1Cl 959665 NEQLVMDKXQXRKE-LDADJPATSA-N 477.948 6.641 50 40 JKGB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 1455637 KANBGYUIGPSBNG-GZTJUZNOSA-N 480.517 5.294 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(F)cc2)N=C2CCCC(O)=C2[C@@H]1c1ccc(Cl)cc1 2310777 UJCZXUMUNPAGGH-JOCHJYFZSA-N 467.953 6.120 50 40 JKGB CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1 3142927 SRECIUANOZRPPU-AREMUKBSSA-N 492.579 5.317 50 40 JKGB O=C(CNc1ccc(F)cc1)N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 3237126 DUASTXKBLXZDAF-BIZUNTBRSA-N 462.528 5.999 50 40 JKGB O=C(N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1cc2ccccc2cc1O 3253617 MLKTXKDLYQKYEJ-NJZRLIGZSA-N 457.533 6.779 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 4196200 LJUDSSCUXQYKNJ-UNOMPAQXSA-N 497.378 6.525 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1csc(-c2cc3ccccc3oc2=O)n1 8387339 QNVANNZXDVVNSF-HMAPJEAMSA-N 462.530 6.560 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc(C(C)(C)C)[nH]n2)ccc1OC(=O)c1ccc(Cl)cc1Cl 9310992 YAMHRFSAJCBNMH-RPPGKUMJSA-N 489.359 5.006 50 40 JKGB O=C(CCC(=O)c1cccs1)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 13098382 ZZGAHYQWCHITCU-RWPZCVJISA-N 488.487 5.340 50 40 JKGB CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2C)C1=O 16741523 DHHIJOXAHGLUKL-ONUIUJJFSA-N 494.595 5.639 50 40 JKGB O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1sc2cc(Cl)ccc2c1Cl 20494026 ADZVQINTBNEXHZ-UHFFFAOYSA-N 469.147 5.057 50 40 JKGB C/C(=N\NC(=O)[C@@H](C)Sc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 58917140 QZBNTNJJGNFPJL-KIZZXKFTSA-N 467.638 6.534 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2)c1OCc1ccc(Br)cc1 59116676 UWGKHKMFASJCGS-XMHGGMMESA-N 463.331 5.582 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)c1 59201504 VVQGWFBPPVVRCE-FYJGNVAPSA-N 461.359 6.191 50 40 JKGB O=C(N/N=C\c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)c1ccccc1-n1cccc1 67197106 CTPJIHDMQHTDCM-ZMFRSBBQSA-N 458.732 6.461 50 40 JKGB C[C@H](NC(=O)COc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1)c1ccccc1 83293326 JIVTZQYSTSJUHB-PIGYUJDQSA-N 491.591 5.225 50 40 JKGB N#C/C(C(=O)NCc1ccco1)=C1/S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 100988937 UOLHEUCAQYTLRO-GHIWRQRASA-N 498.391 5.329 50 40 JKGB CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC 408538945 RWOYQPWEVNGLHD-XLNRJJMWSA-N 464.562 5.767 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccc2ccccc2c1 408552751 VBHLGMRKIQHTFJ-XYGWBWBKSA-N 480.394 8.943 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Br)cc1 408740727 DSIJOQFWENINOR-UYRXBGFRSA-N 463.331 5.582 50 40 JKGB COc1cc(/C=C(\C#N)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C(=O)O)cc1 408759547 GVAHJNSYNXDXQN-RGVLZGJSSA-N 453.416 6.055 50 40 JKGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OCC 408767611 YYLCLYMMOFZALT-DHDCSXOGSA-N 461.743 5.612 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c(C)c1 408789319 IYCMOXMZPINUHI-ULJHMMPZSA-N 454.574 5.093 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OCC 408794509 JLBSLFWRPFWKKC-KGENOOAVSA-N 476.960 6.262 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2c(C)ccc3ccccc23)cc1 408801698 VFUQHBGPXKCAFZ-KOEQRZSOSA-N 476.576 6.844 50 40 JKGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1Br 408818570 XGCUPKBRRJKVAW-NTEUORMPSA-N 464.157 5.544 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408820329 WVBHLBSBPZYJJN-RQZCQDPDSA-N 493.818 6.590 50 40 JKGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 408849230 ZEUNRUFBAONETE-DHRITJCHSA-N 477.933 5.879 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc(C)c1OCc1ccc(Cl)cc1 408849295 ZDYUKMLEDRFDNV-KBVAKVRCSA-N 486.015 6.707 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)cc2)cc1 408889133 DZAPQVOOOZKEPU-HMMYKYKNSA-N 477.358 5.972 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1OCc1cccc2ccccc12 408892033 XNGLMDGATZERCE-STBIYBPSSA-N 454.526 5.508 50 40 JKGB Cc1c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2n1Cc1ccccc1F 408908009 AHZYFWXKEYAWMV-FMFFXOCNSA-N 491.566 5.523 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1Br 408962355 HSAQYNREJRSVIT-RPPGKUMJSA-N 464.285 5.639 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1 408985668 XKZHOSZBVQHZHA-ZROIWOOFSA-N 476.157 6.870 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3cccc4ccccc34)c2)cc1C 409020852 USTSCPGNCYYHJM-STBIYBPSSA-N 451.526 5.238 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1)c1nc2ccccc2o1 409047180 NJZYRXISSZDDLT-LZYBPNLTSA-N 455.728 7.431 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 409072435 RXYUWSYFYHNARW-NYYWCZLTSA-N 459.207 5.021 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 409118176 SSFBQEVXLJZYMJ-DVQSINOTSA-N 483.033 6.257 50 40 JKGB O=C(O[C@H](C(=O)c1ccccc1)[C@@H](Br)c1cccc([N+](=O)[O-])c1)c1ccccc1 409205982 UKENXMFRRARYJD-FPOVZHCZSA-N 454.276 5.139 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccccc1F 409237948 JNDGMXOVRXCRIH-HMAPJEAMSA-N 478.951 5.723 50 40 JKGB CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 409242673 XOFRHHATGWFIPV-PBTLCFMXSA-N 452.860 6.090 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 409259745 DRCUXKVHZNGWIX-WKIKZPBSSA-N 486.355 5.092 50 40 JKGB CC(C)(C)[S@@](=O)N[C@@H](c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 1857795182 RTEPAEFPZJXJEI-QPQHGXMVSA-N 471.606 5.586 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)NCc3ccccc3)N(c3ccccc3)C2=O)cc1C 2225852 UWQAUBASAGTUEK-NJEMLTPYSA-N 467.594 5.046 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 2309002 PTVJCIVJWYTLTC-PTGBLXJZSA-N 480.999 5.599 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccccc1I 2669916 NWVUUJJFVKTVGL-XMHGGMMESA-N 480.305 5.416 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 3140654 IDGJOVVHWDVVNY-PGGKNCGUSA-N 458.128 6.089 50 40 JKGB COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 4083244 FLQKGMBTSUBDEP-AJBULDERSA-N 459.549 6.378 50 40 JKGB C/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 4155211 NWBZDLATUQPSSX-WKIKZPBSSA-N 470.312 5.128 50 40 JKGB Cc1cccc(CSc2ncc(Cl)c(C(=O)NC3=C(C#N)[C@@H]4CCCC[C@H]4S3)n2)c1 8917365 PFTRUSFYMKRDOL-MAUKXSAKSA-N 457.024 5.501 50 40 JKGB CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2scc(-c3ccccc3)c2C(=O)OCC)cc1 9428056 MEQKRCMXNYOAAR-OQKWZONESA-N 488.609 6.706 50 40 JKGB CCc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(Br)cc3)CC(=O)N2C1 9693401 PCYUSSRVWFNWKY-GOSISDBHSA-N 454.393 5.231 50 40 JKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 10059262 IHJNEXXYDRPQMZ-DXRBVMPTSA-N 499.394 6.255 50 40 JKGB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)c1c(-c2ccccc2)n(CC)c2ccccc12 13133720 CTLKFTDPWHZQEY-HIXSDJFHSA-N 470.572 7.670 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccc(C)cc1 20064720 ZUUMMPZZTNMUSO-VWLOTQADSA-N 473.598 5.101 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)cc1 33737869 DYWUOEZGPCXGBX-RGEXLXHISA-N 468.944 5.788 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1OC 38658448 VWHPAALJKQKGMU-HSZRJFAPSA-N 497.334 5.448 50 40 JKGB N#CC(=C\c1ccc(OCCOc2ccccc2Cl)cc1)/C(O)=N/c1nc2ccccc2s1 41108889 PNWSEIVXRAJZOE-OBGWFSINSA-N 475.957 6.603 50 40 JKGB C/C(=N\NC(=O)CSCc1cc(C)cc(C)c1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 58916800 JNIYAZRJIFKHGR-FBHFCYKPSA-N 495.692 6.904 50 40 JKGB COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 59117536 SUQDMIQYTBCVOU-GZTJUZNOSA-N 467.308 5.767 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(C)c1 59201910 QSUXDTRVDIGIOG-UDWIEESQSA-N 474.391 7.159 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1OCC 59473599 GHAUWTSGIVAMBA-MTDXEUNCSA-N 462.615 6.071 50 40 JKGB CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1 100987611 KJZSMISUUIIOIM-HKOYGPOVSA-N 473.642 7.019 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(Br)c1OCC 408533416 SCMOJNWXHXXZOY-DHDCSXOGSA-N 451.158 6.073 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccccc1 408566615 HZLIXIQUBKPHHV-ZDLGFXPLSA-N 492.348 6.506 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Br)c1OCc1cccc(F)c1 408581558 IXADNBXDOIKNFL-RGVLZGJSSA-N 482.349 6.639 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408583143 RVWMWAGPWCQXME-RGVLZGJSSA-N 494.931 6.307 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1sc2ccccc2c1Cl 408734363 YSQRXCYHJRBTCS-JFLMPSFJSA-N 478.957 5.937 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2ccccc2Cl)cc1 408769569 VRRFQSZOSXURSY-OGLMXYFKSA-N 492.000 5.147 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(I)c(C)c3)c2C)cc1 408781427 ADRIHVDNMFKIDB-ZMOGYAJESA-N 471.342 5.079 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccccc1Cl 408794912 KKEUVJGHEJBIIT-LICLKQGHSA-N 485.740 6.366 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1C 408799645 HGANGWURDKEHDZ-HZHRSRAPSA-N 477.520 6.490 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 408801876 WGWQVHVXEFRQCQ-CJLVFECKSA-N 496.950 6.404 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 408806240 IKXXKDPWBATAFJ-CJLVFECKSA-N 452.941 6.926 50 40 JKGB CNC(=O)/C(C#N)=C\c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C 408815914 SYZJHWUOWXCDFT-ZHZULCJRSA-N 472.614 5.248 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1ccc(I)cc1)c1cc2ccccc2o1 408851412 JVIUKYNXMPKBEG-QFEZKATASA-N 496.304 5.380 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(C)c1OCc1ccc(Cl)cc1 408851990 OWWIJFZSBOZTHL-UDWIEESQSA-N 484.905 7.100 50 40 JKGB O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NN=C1CCCCCC1 408862309 GSROWEFOHHUULD-UHFFFAOYSA-N 468.406 5.015 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(Cl)c2)c(Br)c1 408872856 KEDXUNUAHAPWOW-UDWIEESQSA-N 495.804 6.790 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1OCc1ccc(F)cc1 408878129 ZZRLKRZFPRJYMD-FYJGNVAPSA-N 478.951 6.565 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1Cc1ccccc1Cl 408882081 PFXUGRPSBPNEGJ-XDHOZWIPSA-N 451.353 6.529 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3)c(OCC)c2)cc1 408899159 NRNIUZWFYAOLEI-CJLVFECKSA-N 484.508 5.027 50 40 JKGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1I 408983034 JTSJGDUUZHDEFT-DHDCSXOGSA-N 478.717 5.364 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)cc2)cc1Cl 408988524 RCALGXDXLWUIBB-OYKKKHCWSA-N 452.941 6.926 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccccc2)cc1 409067922 DSKFPLGBEJPNTG-GZTJUZNOSA-N 487.364 5.615 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccccc1Cl 409089216 YTJUGWDBYZHTAF-NTEUORMPSA-N 499.266 6.148 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)C(=O)NC1CCCC1 409192365 BINIWBVHWAMFDF-STZFKDTASA-N 475.386 6.147 50 40 JKGB O=C(NN=Cc1ccccc1OC(=O)c1ccco1)c1cccc(NC(=O)c2ccccc2Cl)c1 409225478 QBYWILVDRDPYFS-UHFFFAOYSA-N 487.899 5.168 50 40 JKGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1cccc(C(F)(F)F)c1 409238475 AIDBNPGWXUCDLG-WQLSENKSSA-N 461.783 6.073 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1ccc(F)cc1 409254009 WEVMLNXRCGUGDI-LFIBNONCSA-N 484.314 5.696 50 40 JKGB COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 707863 BULQSZFUUNIHEJ-AYWVHJORSA-N 476.576 6.159 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)c1 3321801 HYEOJIPAJRKPSY-RCCKNPSSSA-N 469.541 6.847 50 40 JKGB O=C(COc1cc(Cl)ccc1Cl)N/N=C\c1ccc(-c2cccc(Br)c2)o1 8448769 MOKCRUBHTQWGEE-RMORIDSASA-N 468.134 5.545 50 40 JKGB Cc1nc2oc(C(=O)c3ccc(Br)cc3)c(NC(=O)CCl)c2c2c1COC(C)(C)C2 8926450 HNADZYGALKTJSQ-UHFFFAOYSA-N 491.769 5.158 50 40 JKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(Br)c1 9057846 GNZFOZOKHWBNLN-UKTHLTGXSA-N 465.203 7.164 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Br)c1OCc1ccccc1 9259501 CWOPMWKZWYEMIF-CCVNUDIWSA-N 496.336 5.201 50 40 JKGB CC[C@H](C)c1ccc(OCCn2c(C)c(/C=N/NC(=O)c3ccncc3)c3ccccc32)cc1 9886216 OXZPLDXHMDUFFM-MXEPNMHZSA-N 454.574 5.701 50 40 JKGB N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ccccc1I 12436487 DUAZBJXBQJHWBJ-QBFSEMIESA-N 474.685 5.750 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(C)n(Cc3ccccc3C#N)c3ccccc23)cc1 13939823 IWLSGTBDQCXSPS-XQNSMLJCSA-N 460.537 5.814 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)c(OCCC)c1 14356478 NAJJFSZGLOLYDN-NDZAJKAJSA-N 471.557 5.332 50 40 JKGB Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)c(C)c1 15277310 RSSXEUWZHATQJY-JJIBRWJFSA-N 460.533 6.530 50 40 JKGB C#CCOc1c(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc(Br)cc1OC 16195311 HQITYTHGBFDFPY-VULFUBBASA-N 477.314 5.133 50 40 JKGB O=C(N/N=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12)c1ccccc1Br 20761027 UYJNAOQJYOTPEP-RWPZCVJISA-N 493.788 6.599 50 40 JKGB COc1cccc(/C=N\NC(=O)c2cc(-c3ccc(OCc4ccccc4Cl)cc3)n[nH]2)c1 30742778 ZEAKGFNIYZSEIS-DICXZTSXSA-N 460.921 5.082 50 40 JKGB Cc1cccc2c(-c3ccccc3)c(-c3ccccc3)n(CCC(=O)N/N=C\c3ccc(O)cc3)c12 32665879 JSYSJHCJWNZQAI-QXPFVDMISA-N 473.576 6.530 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(I)cc1 33626752 SVBFXAGPRKVBGP-CVKSISIWSA-N 499.396 5.760 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1Cl 33759207 GHJFTRMXJMHXMS-VYYCAZPPSA-N 490.456 7.148 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 33850161 XDOQZZIVYGXXPR-STZFKDTASA-N 473.359 7.271 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 39383583 UYAYQJLSNZUNOA-NUGSKGIGSA-N 468.680 5.344 50 40 JKGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 59101705 OIKYRQUJEJJAAZ-MZJWZYIUSA-N 486.355 5.060 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1c(Cl)cccc1Cl 59117072 HKADPQRNUNTLMF-MHWRWJLKSA-N 487.770 6.780 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(Cl)c1Cl 59335925 SWOCWWCABDSJIS-XYOKQWHBSA-N 462.676 6.361 50 40 JKGB CC(C)(C)[Si](C)(C)O[C@H]1Cc2ccccc2[C@H]1NP(=O)(c1ccccc1)c1ccccc1 195753628 PQXOAQCUIRVWCB-IZZNHLLZSA-N 463.634 6.193 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1cccc(F)c1 408569826 QGZBXXCIHKRDSY-VULFUBBASA-N 469.607 5.241 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)N1CCc2ccccc21 408603706 GVKYUJADDAXWQZ-HYARGMPZSA-N 478.552 5.221 50 40 JKGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 408724828 DJRZPBPQFQJXIZ-LQKURTRISA-N 489.369 5.954 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1C 408745048 OZNLYFTZFFQKGC-JCMHNJIXSA-N 493.523 6.044 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OCc1ccccc1 408750283 ZFHNFOWSNTULGA-LQKURTRISA-N 489.369 5.954 50 40 JKGB CCOc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC 408756215 YEJPIQXMJODWSH-OGLMXYFKSA-N 454.611 5.477 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2cccc(Cl)c2C)cc1 408782069 FRYIQCBFVAKRCU-LQKURTRISA-N 498.048 5.426 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)cc1 408795498 LVUCLLUZNPXETL-XSFVSMFZSA-N 491.341 5.360 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1C 408816142 SPNXDUMFNORDCF-LPYMAVHISA-N 475.386 6.499 50 40 JKGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OC 408836402 QVKJLEQINAMEMM-VGOFMYFVSA-N 463.317 5.130 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c(OC)c1 408839245 PJBFVFQVMGSOFQ-LGJNPRDNSA-N 472.328 5.027 50 40 JKGB O=C(N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1cc2cc(Br)ccc2o1 408854243 ARSOAFVFANPIMX-MXAYSNPKSA-N 494.301 5.446 50 40 JKGB Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1 408867754 MXYGFDRVWJADMK-FYJGNVAPSA-N 479.805 6.856 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 408922521 FBYFNQZPOPCMEW-SFQUDFHCSA-N 477.860 5.022 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 408964720 DGVKYMUAPFNZLU-JFLMPSFJSA-N 482.422 5.927 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)c3nc4ccccc4o3)cc2Cl)cc1 409082259 RURWAOUOYZDUPE-SFQUDFHCSA-N 450.903 5.622 50 40 JKGB CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C2=C1CCCC2=O 409137851 ZDIUXTQXFRCOGR-JOCHJYFZSA-N 488.802 5.956 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2cc(C)ccc2C)cc1 409253400 FYPCPNPBYZOJTR-CJLVFECKSA-N 469.541 5.265 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc3c(c2)OCO3)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 409366907 XALSTDKEJSUWDO-KVSWJAHQSA-N 480.351 5.797 50 40 JKGB COc1cc(Cl)cc(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c1O 409406222 WHKITADDIPYVIY-UHFFFAOYSA-N 493.947 5.398 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(Br)c1 949383 YCEWSFGVVIZDIP-MDWZMJQESA-N 472.682 5.816 50 40 JKGB O=C(NC1CCCCC1)NN(C(=O)Nc1ccc(Cl)cc1)c1nc(-c2ccccc2)cs1 1415268 JRTGRGQOGHSCRI-UHFFFAOYSA-N 469.998 6.049 50 40 JKGB Cc1ccc2c(c1)[C@@]1(C(=O)N2)C(C#N)=C(N)N(c2cccc(Cl)c2C)C2=C1C(=O)CC(C)(C)C2 1422791 ZOUVVDBHDWEBIZ-HHHXNRCGSA-N 472.976 5.004 50 40 JKGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1cccc(Cl)c1 1835012 VRETWBFLSQYTHD-WYMPLXKRSA-N 485.059 5.879 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C 9259127 CJVUUQCXAVCEIG-HKOYGPOVSA-N 454.574 5.039 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1ccc2ccccc2c1 9323121 JQDRSCPTPFAMQE-OKCVXOCRSA-N 453.473 5.202 50 40 JKGB CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)cc1 9435231 WNQMGCGVKOSRJF-FXBPSFAMSA-N 461.594 6.602 50 40 JKGB CC[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=c1\cc(C)c2cc3c(cc2o1)OC1(CCCCC1)CC3 9531697 VWBLBGJUDGGAAQ-LCNAWROFSA-N 483.609 5.004 50 40 JKGB CC[C@@H]1[C@@H](C)[C@H](Nc2ccc(SC#N)cc2)c2ccccc2N1C(=O)c1ccc(C(C)C)cc1 9635881 HCLBIUVDGKKIDF-LVPRMVSMSA-N 469.654 7.611 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Oc2ccccc2)c(OCCC)c1 12658692 FYEREHZMNYGNBR-RELWKKBWSA-N 456.542 6.602 50 40 JKGB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=S)Nc1cc(Cl)cc(Cl)c1 32579230 BXGXVVUEVSPKGQ-CQSZACIVSA-N 460.386 5.446 50 40 JKGB Cc1ccc(-c2cc(C(=O)NNC(=O)CCCOc3ccc(Cl)cc3C)c3ccccc3n2)o1 33026442 WLIWCSAUUYAWSL-UHFFFAOYSA-N 477.948 5.385 50 40 JKGB Cc1ccccc1N1C(=O)[C@H](Cc2ccccc2Cl)S/C1=C(/C#N)C(=O)Nc1ccccc1 33904203 ZEDOXYMEMGZFED-RKZIHRPTSA-N 473.985 5.713 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1 34895895 JVKAFEYUCXLWOK-WJDWOHSUSA-N 488.849 6.341 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2cc(/N=N\c3cccc(Br)c3)ccc2O)cc1OC 100739040 FGZVHDQXFNHBCA-VMDJLEQSSA-N 497.349 5.280 50 40 JKGB Cc1cc(NS(=O)(=O)c2ccc(N/C=C(/C#N)c3nc(-c4ccc(F)cc4)cs3)cc2)no1 101179190 RCIMJXVLZLMJRL-VBKFSLOCSA-N 481.534 5.023 50 40 JKGB COc1cc(F)c(Oc2ccccc2)cc1/C=C(\C#N)C(=O)Nc1sc2c(c1C#N)CCCC2 107831744 QHYFLGBANHGPOA-GZTJUZNOSA-N 473.529 5.984 50 40 JKGB CC(C)(C)[Si](C)(C)Oc1ccc(-c2coc3cc(O[Si](C)(C)C(C)(C)C)ccc3c2=O)cc1 198121301 GZCZQFQHUYFLNW-UHFFFAOYSA-N 482.769 8.228 50 40 JKGB in-vitro COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(Br)c1OCc1ccccc1 206487534 HTMHGDPXBUPPSE-HYARGMPZSA-N 491.385 5.303 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1sc2c(c1C#N)CCCC2 408542308 KMJVHGCCAHWKGY-ODLFYWEKSA-N 470.554 5.150 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)cc2Cl)c1 408567735 PLXCELWEFVIPRA-IUXPMGMMSA-N 452.316 6.960 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(Br)c1OCc1ccccc1 408591997 WYYFAOJZXDCMIH-VULFUBBASA-N 487.781 5.844 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1cccc(C)c1 408676504 JLDSMTRJUZZMIJ-VUTHCHCSSA-N 457.574 5.337 50 40 JKGB COc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 408718913 VNOLXZGEODMRHB-JFLMPSFJSA-N 457.357 5.664 50 40 JKGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccc(Cl)cc1 408753641 KAPDIXXAMJUQOL-WGOQTCKBSA-N 464.930 5.025 50 40 JKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(OC(C)C)c3)o2)c(Br)c1 408779371 DIZAHWCGTXVIMN-SFQUDFHCSA-N 465.347 6.350 50 40 JKGB Cc1ccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)c3ccccc32)cc1 408792438 JYKQBFGSBRVMQC-ZXVVBBHZSA-N 497.598 7.123 50 40 JKGB N#C/C(=C/c1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1)C(=O)Nc1ccccc1F 408812500 OXFHLVMCTVOPEY-GHXNOFRVSA-N 490.672 5.955 50 40 JKGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 408862660 HHYGXYVYINHUBB-DFKUXCBWSA-N 467.613 5.470 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1Cc1ccccc1F 408873723 WNBOSAAOYTUYHK-YBFXNURJSA-N 479.349 6.042 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)o1 408885090 ZZMWKZMSESIJKH-KPKJPENVSA-N 487.255 5.924 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1ccccc1 408885585 CIFYNGRZHBYUTK-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 408893079 FHPUNNKMSLHZSV-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c1OCc1cccc(Cl)c1 408899535 QCVVPYXQJXDBHF-CJLVFECKSA-N 468.940 6.626 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccccc1F 408904203 GKDKBIREDFZNDI-PPDIBHTLSA-N 497.866 5.485 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2)ccc2ccccc12 408922515 FBPCCXJTWXODIL-CJLVFECKSA-N 452.941 6.926 50 40 JKGB CC[C@H](C)Oc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 408949914 STFQVYCUXPPZPX-QNEYSMKTSA-N 494.183 5.899 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OC)c1OCc1ccccc1Cl 409069735 VZTHVZGQFMYOIY-BUVRLJJBSA-N 472.972 5.879 50 40 JKGB C/C(=N\NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 409140366 DDEICJZFKQMJKH-OQIQZUQJSA-N 466.006 5.922 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1cccc(C)c1C 409253824 YJSWXOQYHGHRDU-HZHRSRAPSA-N 483.568 5.574 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Cl 409265855 UQDIAKUHNCVDBZ-LDADJPATSA-N 463.896 5.351 50 40 JKGB O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1)Nc1ccccc1Cl 409268466 UBBWBCGUBQEZTN-ZRGSRPPYSA-N 476.747 5.428 50 40 JKGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(I)cc1 409369772 WMAISUFOWIRTHR-GHRIWEEISA-N 479.346 6.270 50 40 JKGB CC[C@@H](C)Oc1c(Br)cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1OC 409392474 PQNYPHIKEJTOID-ATDKOCKZSA-N 456.340 5.584 50 40 JKGB O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1ccc(Cl)cc1 409395398 NDNDMPXDSFSDLD-UHFFFAOYSA-N 493.950 6.471 50 40 JKGB CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](OC(=O)CCl)CC[C@]4(C)[C@@H]3CC[C@]12C 504206733 QEAJZMPKEHYDQO-MATDDNNOSA-N 463.146 8.467 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(Br)c3)C3=C2C(=O)CC(C)(C)C3)cc1O 716491 DUMWBAVOIPAXQZ-QFIPXVFZSA-N 494.389 5.104 50 40 JKGB O=C(OCc1ccccc1)[C@@H]([C@@H](Cl)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 1634185 HFJBLPMMCYRPGA-URLMMPGGSA-N 470.012 6.781 50 40 JKGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)cc3)nnc2-c2ccc(C)cc2)cc1 1808548 OLQKYTSROGMNNB-JFLMPSFJSA-N 492.004 5.147 50 40 JKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1OC 1905875 TVVGEDGVXNRNAV-XDHOZWIPSA-N 482.005 6.120 50 40 JKGB CCCCCCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 8817487 QGLSJERJMGXCDX-KNTRCKAVSA-N 476.558 6.432 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 9311220 NWOAMTQKDZICIQ-KGENOOAVSA-N 488.418 7.413 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)C3=C(CCCC3=O)N2)c(C)c1 13174495 GLXWXOFTIHABRR-RUZDIDTESA-N 457.599 5.413 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 13943724 DSQMBEYAFNDEIB-RWPZCVJISA-N 465.336 6.450 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1cccc(C(F)(F)F)c1 14361456 CVEPLCGGEHYSOL-WSMCSGFASA-N 472.507 5.895 50 40 JKGB Cn1c(/C(C#N)=C\c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)nc2ccccc21 16735055 DATOJYUSAHSDAC-UCQKPKSFSA-N 459.597 6.291 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc(OC)c1OC(C)=O 31906017 IPWSRZZTJUUAFS-QRVIBDJDSA-N 482.561 6.484 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)Sc3nc4ccccc4s3)c2C)cc1 34706774 IVNVXKCLBMODJO-KGENOOAVSA-N 459.596 6.537 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(Cl)c1 59297477 RHKQKHTYAQIGNB-YBFXNURJSA-N 477.904 5.772 50 40 JKGB COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)C3=C(O)CCCC3=N2)cc1 102536892 MNQNFRYBBXWXAI-XMMPIXPASA-N 459.571 5.645 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OCC 206853690 NHKLUBCLGADKGY-JJBLJPBOSA-N 455.352 5.197 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 408742581 AZWQLMKKNJQVSA-LGMDPLHJSA-N 474.429 5.240 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(C)cc1 408797642 SVQLGGCJUGTOTN-FYJGNVAPSA-N 476.960 6.180 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1 408802604 ZHZYHUQUIPQLHF-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(F)cc1 408817436 LOUGTAXMBIMQPP-MTJSOVHGSA-N 494.950 5.689 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3c(C)ccc4ccccc34)ccc3ccccc23)cc1C 408818831 YMJXIISMDMSYNL-ZXVVBBHZSA-N 496.610 8.043 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1Cc1ccccc1Cl 408874474 CGHYHDAEFLVYIC-RGVLZGJSSA-N 465.380 6.755 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1 408882332 OQUZSNYQODBUSH-GIJQJNRQSA-N 482.323 6.335 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1OCc1ccccc1 408895599 LMYLJLTVCWGYAP-HYARGMPZSA-N 468.940 6.626 50 40 JKGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Br)c2)o1 408913395 QKVPPJZDNZTVPT-BHGWPJFGSA-N 461.743 5.508 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 409123760 IOFQZRHEEHUPRD-NRFANRHFSA-N 473.743 6.150 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409193283 IOGYSTNOFXTEAN-KCSSXMTESA-N 486.059 6.979 50 40 JKGB O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1F)c1ccccc1F 409272675 RLQZAAYGYJMOOH-UHFFFAOYSA-N 492.572 7.269 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccccc1Cl 409366578 WNFBVGSIKMSGIX-LSCVHKIXSA-N 498.760 6.483 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Br)cc1)c1cccc(F)c1 409391403 IBMOCIVNNXXRPR-ZDLGFXPLSA-N 487.166 6.994 50 40 JKGB N#CC(C#N)=C(c1ccccc1)[C@H]1[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)C2CC2)[C@H]1c1ccccc1 2313567 YCTYCODSHQCPSX-LYBRAKKWSA-N 467.572 6.151 50 40 JKGB Cc1cccc2c(C(=O)Oc3ccc([N+](=O)[O-])cc3)cc(-c3ccc(Br)cc3)nc12 2353492 NKZOCIOAABSUID-UHFFFAOYSA-N 463.287 6.100 50 40 JKGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 2553451 NOELJHMSHAOSEQ-LICLKQGHSA-N 472.397 6.375 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC 12139322 AYJGOVNXPWRCHC-DEOSSOPVSA-N 495.044 6.356 50 40 JKGB C/C(=N\NC(=O)c1ccoc1C)c1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2Cl)c1 20357138 DULFPJZDMCTTQX-VSWHYLHOSA-N 453.926 5.110 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 33609880 HGXWUOGMZUSDOT-IDUWFGFVSA-N 489.742 7.207 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1OCc1ccc(Cl)cc1Cl 59245234 VWZNQRDQYHJVLL-LICLKQGHSA-N 498.322 6.035 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1cccc(Cl)c1 59266491 ICKXGPWMNQPLEX-RQZCQDPDSA-N 498.322 6.035 50 40 JKGB Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c3ccccc32)cc1 59333203 VKZDVXDLVOWTQB-PLRJNAJWSA-N 460.581 5.254 50 40 JKGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc21 208244190 HVRFPFYIKYJULU-XKBFBRDOSA-N 462.808 6.914 50 40 JKGB COC(=O)c1ccc(/C=C(\C#N)c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1 408718992 DPWMOHIEMLKNPI-XDHOZWIPSA-N 462.336 6.242 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1-c1ccc2ccccc2c1 408724445 KLIDTVKEPURSLD-KBVAKVRCSA-N 499.401 7.072 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Br)c1OCc1ccc(Cl)cc1 408726184 QWDCQZNXLXBESU-BHGWPJFGSA-N 477.742 5.355 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 408726682 UWPVCJAUBJRERC-ODLFYWEKSA-N 458.772 7.689 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc(Br)cc1 408745569 SRMQUGRTSSAVFS-JWGURIENSA-N 483.365 6.727 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 408792719 CCSXGVGOXYLTET-XSFVSMFZSA-N 469.928 5.675 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 408799754 IIAUCRTZXSYOOC-XSFVSMFZSA-N 484.943 6.414 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3c(C)ccc4ccccc34)ccc3ccccc23)c1C 408808098 DYNPQIUJWDSWRW-ZXVVBBHZSA-N 496.610 8.043 50 40 JKGB CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)c1C 408846610 QKSDVYLLMQJWJU-VULFUBBASA-N 468.395 5.500 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1ccc(F)cc1 408886778 IZTHTXFHTUGCOX-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)c1OC 408887659 QDJCXGXSWGHHQP-UKTHLTGXSA-N 480.156 5.083 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 408888744 ZXXTUEVNJYVYJI-LICLKQGHSA-N 454.313 5.645 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(=O)Nc1cccc(Cl)c1Cl 408890993 JPPBYZYPMIAXKY-MHWRWJLKSA-N 479.279 6.111 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 408926637 XGULCUUWUJAAMV-CAOOACKPSA-N 454.313 5.645 50 40 JKGB Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1 408939022 MRUAHFIDSUPMKW-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1cccc([N+](=O)[O-])c1 408985388 WQZWADGGEDWJAS-YBFXNURJSA-N 477.904 5.690 50 40 JKGB O=C(N/N=C\c1cccn1-c1ccc(I)cc1)c1cc2cc(Cl)ccc2o1 409016264 QQBXPQTXYUDXHY-FMCGGJTJSA-N 489.700 5.245 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1ccc(Cl)cc1 409191955 QYKXFOUKBZRNAV-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1OCC 409304080 PTIXLSQCMQARPA-RHANQZHGSA-N 496.991 5.879 50 40 JKGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3Cl)=C2C#N)cc1Cl 409336465 SRUGWNIHJAICEB-CYBMUJFWSA-N 496.803 5.366 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1Cl 3116472 NMTKPUKNKKSNCD-MZJWZYIUSA-N 487.339 5.140 50 40 JKGB CC(C)c1ccc2c(c1)/C(=N\NC(=O)c1ccc(COc3ccccc3-c3ccccc3)cc1)C(=O)N2 3284310 PVIQZOVNRZBXQF-UHFFFAOYSA-N 489.575 6.142 50 40 JKGB Cc1cccc(C)c1NCC(=O)N/N=C/c1cc(/N=N/c2cccc(Br)c2)ccc1O 4077446 FLIKVOHHQSQRLB-AFDPEFSASA-N 480.366 5.749 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3cccc(OCc4ccccc4Cl)c3)[nH]n2)cc1 8972673 PVKCJGBEFGCFMA-JFLMPSFJSA-N 460.921 5.082 50 40 JKGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2Nc2ccccc2Cl)cc1 9235527 SFIQTQUXEUGIKC-VULFUBBASA-N 499.796 5.497 50 40 JKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)cc1 10059241 UZXGJEQPGUJEJN-SHEHFHRDSA-N 453.586 6.041 50 40 JKGB N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 13174071 FCIBAFDQBKGMBN-JOCHJYFZSA-N 484.408 5.794 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCc1ccccc1 13648045 CEJMATLYMIJXMC-UCQKPKSFSA-N 452.579 7.079 50 40 JKGB O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccccc1-n1cccc1 13922666 UWRHRBOXUVIKND-LQKURTRISA-N 464.352 6.127 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)c2C)sc2c1CCCC2 15932047 FGMCHSJNVSQXFW-RCCKNPSSSA-N 487.625 6.065 50 40 JKGB COc1c([N+](=O)[O-])cc(/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1OC 16194439 QQDZHZPBDDBYQQ-LDADJPATSA-N 461.430 5.163 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@H]1c1ccc(C)cc1 20065938 MNMTYFZXIDCRLD-AREMUKBSSA-N 487.625 5.409 50 40 JKGB Cc1cc(OCC(=O)N/N=C/c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)ccc1Cl 22637115 NVXFESAPHKHNTF-YCPBAFNGSA-N 472.155 6.398 50 40 JKGB N#C/C(=C\c1cccc(OCC(=O)Nc2ccccc2F)c1)C(=O)Nc1cccc(C(F)(F)F)c1 33786520 VYGQYDJKKATYOK-GZTJUZNOSA-N 483.421 5.408 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)C1c2ccccc2Oc2ccccc21 57476914 WWUXFWJYOYUNOZ-FDAWAROLSA-N 457.533 6.078 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1OC 408582003 KVVBZYMXDFOCGJ-LDADJPATSA-N 485.945 5.198 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 408599452 VBFMZHHMVMMPLI-BRJLIKDPSA-N 474.300 5.253 50 40 JKGB COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)COc4ccccc4OC)cc3[C@@H]3C=CC[C@@H]32)cc1 408751358 GLPZKOMTBNFBQR-SHYXHSDVSA-N 497.595 5.450 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)Nc1cccc(Br)c1 408758514 LKLFIMGQDMTUMP-UCQKPKSFSA-N 483.365 6.727 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OCC 408798681 WMXKJBOWHIDMBO-WOJGMQOQSA-N 453.336 5.022 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OC)c1OCc1ccccc1C#N 408818654 PYZNZZDIXHOXJC-YSMPRRRNSA-N 493.563 5.106 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1cccc2ccccc12 408850347 LWQMDDGREDVQED-DXJNIWACSA-N 460.533 6.657 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1cc(Cl)cc(Cl)c1 408926257 WOLNQZBBLNNRKU-GIDUJCDVSA-N 479.194 7.253 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OC(C)C)c(Cl)c2)cc1 408955422 YDPOHWCJEUHQPC-YKQZZPSBSA-N 471.988 6.657 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OCc1ccc(C(=O)O)cc1 408968408 YOYFOPSNNWIECY-UVHMKAGCSA-N 478.888 5.136 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(C)n(-c2cccc3ccccc23)c1C)c1ccccc1 408978321 IDNGTULXBNWPNX-SIMFPYGHSA-N 482.584 5.575 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccccc1F 409066397 ANRIJVJANWMJIT-FYJGNVAPSA-N 487.487 5.596 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 409085135 RIVXAWAXZCSCQM-LDADJPATSA-N 481.430 6.568 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1C#N 409248326 PRFKILUOJIHJPI-JAIQZWGSSA-N 477.442 5.710 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3Cl)c2)cc1OCC 409306098 YJEDSJQTKXUKEQ-QRQIAZFYSA-N 464.949 5.646 50 40 JKGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 409366785 YFQWHYMNJRHMCS-IPPBACCNSA-N 494.378 5.460 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(c1ccccc1)c1ccccc1 409390381 CTBPMNVAZXIXJJ-MNBJERMJSA-N 489.402 6.855 50 40 JKGB O=C(N/N=C/c1ccccc1Br)c1ccc(COc2cccc3cccnc23)cc1 3251204 WXJADEKZCNGXDW-JFLMPSFJSA-N 460.331 5.340 50 40 JKGB CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC 3672638 JAJUUYKASQFAHS-HXUWFJFHSA-N 451.320 5.228 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc(F)cc1 4196382 IGPJYFVXBCQRKG-YBFXNURJSA-N 495.348 6.030 50 40 JKGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1 8403029 BZTPANDNMLSXLA-MUFRIFMGSA-N 475.013 6.456 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1OC(C)=O 12140004 PMCPLXZTYKHMIQ-MKMNVTDBSA-N 475.353 6.124 50 40 JKGB CC1=C(C(=O)Nc2c(C)cccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1 12250162 YEOAHUBMXRDFDS-VWLOTQADSA-N 498.608 5.603 50 40 JKGB Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=C(\C#N)C(=O)Nc1ccccc1Cl 12657911 KNZJUXMJSCOCED-OBGWFSINSA-N 472.907 6.311 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)NCc1ccco1 18173400 SJGWUWVZAVLHEU-LICLKQGHSA-N 450.325 5.813 50 40 JKGB Cc1ccc2nc(N3CCOCC3)c(/C=C(\C#N)c3nc(-c4ccc(Cl)cc4)cs3)cc2c1 19891560 QYPRUAXKLCCCFU-KGENOOAVSA-N 473.001 6.221 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)OC(C)C)=C(C#N)[C@H]1c1ccccc1Cl 20136725 UXRLSWGMABSFPV-JOCHJYFZSA-N 497.016 5.421 50 40 JKGB CSc1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 32576870 KGGJHLCDVYHRMC-WGARJPEWSA-N 481.046 5.702 50 40 JKGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccc(Br)cc2)c2ccccc21 33438427 NFIJCIVMDTYFPO-MZJWZYIUSA-N 457.331 5.088 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1ccc(Cl)cc1 33764820 QXCTZWNJZUSEMY-ZDLGFXPLSA-N 464.352 6.830 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccc(Cl)cc1 34863723 KIZIPIDXXRQIFR-FYJGNVAPSA-N 457.961 6.875 50 40 JKGB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(O)c(OC)c1 34871731 MBAIMMGUMAISCU-WQRHYEAKSA-N 462.527 5.160 50 40 JKGB Cc1ccc(Sc2ccc(/C=C(\C#N)c3nc(-c4ccc(Cl)cc4)cs3)s2)cc1 36636022 HMOPAFUVMLRUQX-SFQUDFHCSA-N 451.041 8.049 50 40 JKGB C/C(=N\NC(=O)CSc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 58916983 HYLPAWPZLMQLDO-RGLNYDMWSA-N 488.056 6.799 50 40 JKGB O=C(CCCCCCCC[C@@H](F)CBr)OCc1cc(Oc2ccccc2)ccc1F 98174864 KOVNYXPRSDSLFK-HXUWFJFHSA-N 483.393 7.515 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccccc1F 107723457 JHLFEESJIYJIHL-NVMNQCDNSA-N 483.293 6.148 50 40 JKGB FC(F)(F)C[C@@H](I)CCC[C@H](I)CC(F)(F)F 169795284 WZCXGZJXUWLHSG-BQBZGAKWSA-N 487.991 5.669 50 40 JKGB CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1OC 408538975 SGAZTEUWBFIOON-VEILYXNESA-N 479.646 6.630 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1nc2ccc(F)cc2[nH]1 408568355 JCPCOESLEAUNSC-WQRHYEAKSA-N 488.349 7.805 50 40 JKGB CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccccn3)c2-c2ccccc2)cc1 408741198 HLXWFKHXYTZWBT-STKMKYKTSA-N 486.575 6.369 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)cc1 408794824 TUWXAZFMIJSSQJ-XDHOZWIPSA-N 492.329 5.790 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2 408797147 BKESIBPMYVFFFG-PXLXIMEGSA-N 454.599 5.172 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 408799310 YVXOFVJFOKVJTJ-VCHYOVAHSA-N 499.325 6.044 50 40 JKGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Br)cc2)cc1 408821129 CUNCZWLCDUCBTL-LTGZKZEYSA-N 489.369 6.139 50 40 JKGB CCOc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 408875596 GIAQVJSGIFLQGY-UDWIEESQSA-N 477.358 5.972 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 408879620 FNYZQIBZFBSEAA-LGJNPRDNSA-N 487.781 5.762 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(OCc2ccccc2Br)c1 408886867 JIYZONWEFZNODM-WOJGMQOQSA-N 497.776 6.236 50 40 JKGB COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1 408894672 KGOURQTWPNBEFO-GHRIWEEISA-N 467.308 5.767 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1c(C)cc(C)cc1C 408987014 UKWRNRIPIOTYEF-YDZHTSKRSA-N 489.015 7.097 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409201002 LCYNNVBIRNECLH-ODLFYWEKSA-N 479.876 6.198 50 40 JKGB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)cc1 409227060 XGBXPNJXIPBRSE-LICLKQGHSA-N 498.341 6.004 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1 409265133 NVYDBQMDVTWAGY-QDTIIGTASA-N 484.383 5.700 50 40 JKGB O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl)c1ccco1 2076648 SDXQGRSSFOYSAW-AUEPDCJTSA-N 482.117 5.332 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 3232155 KXRQYIYLDGQGFV-CAOOACKPSA-N 457.744 6.771 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)c(C)c1 8450438 LAXBIVGMLMZOEB-HZHRSRAPSA-N 499.571 5.001 50 40 JKGB aggregator COC(=O)CSC1=C(C#N)C2(CCCCC2)[C@H](c2nc(-c3ccccc3)cs2)C(=N)N1 8856862 UCXXGNUFACMINY-IBGZPJMESA-N 452.605 5.066 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCC(=O)c3ccccc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC 8934515 NOBVXUTUNBWGPQ-VWLOTQADSA-N 488.609 5.385 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 10475975 PWRPZCUQPRQEFZ-RWPZCVJISA-N 487.383 5.673 50 40 JKGB C[C@@H]1S/C(=N\NC(=O)c2ccccc2NC(=O)c2ccccc2)N(c2cccc3ccccc23)C1=O 12710058 UEFXYZGYYGRWHC-MJKIMAEFSA-N 494.576 5.261 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)c2C)cc1C 25901250 GUHAJQSECAVRKX-HNSNBQBZSA-N 490.651 6.033 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)[nH]c2c1 33721620 PGBQGDGSQIAAQG-JLPGSUDCSA-N 476.555 7.061 50 40 JKGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1ccc(Cl)cc1 40866659 VGQDHQZEZMVUQP-MZJWZYIUSA-N 452.938 5.074 50 40 JKGB CO[C@@H](C(=O)N/N=C(\C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2)c1ccccc1 58917333 FFYPURKZNPGNGM-LJZKTGFXSA-N 486.015 6.394 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccccc1Cl 59101431 SIIYQVSJHARJFA-RPPGKUMJSA-N 476.747 5.315 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1cccc(F)c1 59117272 OMXJDPHLBRWRMY-XDHOZWIPSA-N 450.897 6.002 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 59281495 RZDQOKYWZDPWCH-DEDYPNTBSA-N 495.804 6.790 50 40 JKGB N#C/C(=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 59291997 NCQPKIJHBAWRPD-LDADJPATSA-N 456.889 5.797 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1C 59297378 QDAHLPCJEHSXFM-UDWIEESQSA-N 451.353 6.735 50 40 JKGB CC(=C/c1ccccc1)/C=N/NC(=O)c1cc(-c2cccnc2)nc2c1c(C)nn2-c1ccccc1 89567371 KMFWGHZDMJGOEA-CDBDPFCUSA-N 472.552 5.610 50 40 JKGB O=C(COc1ccccc1Cl)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 105059014 XFCSYBDZVWLYMC-RPPGKUMJSA-N 463.748 5.755 50 40 JKGB Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Br)c3)nc2c1 107688739 PPBNQCOOXFSQST-WQRHYEAKSA-N 489.329 6.185 50 40 JKGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CC[C@H]2C2(CBr)OCCO2)C1 253617440 MSDUUFXAHQPGOH-KMDQZSAOSA-N 481.471 5.635 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OCC 408536725 AQZJUQFHOYZWDC-HMMYKYKNSA-N 472.988 7.163 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1 408544212 UEKIRAQFYJHPGN-FYJGNVAPSA-N 468.513 6.130 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(OCC)c1OCc1ccccc1 408544293 VCVFBFHQAFQMEO-XYGWBWBKSA-N 463.581 6.950 50 40 JKGB CCOc1cc(C)c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1C(C)C 408570668 XMYQIYUZRKMENU-AFUMVMLFSA-N 458.649 5.525 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2-c2ccc3ccccc3c2)cc1 408728038 ZIQZAATUSCUYKA-RDRPBHBLSA-N 475.508 5.673 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)ccc1Oc1c(F)c(F)c(F)c(F)c1F 408734632 AMOOTPFPUHGAJL-MDWZMJQESA-N 471.385 6.432 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1C 408763390 NOZJZAVENDRSMH-YVLHZVERSA-N 484.781 6.064 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 408766208 SNMTYEMBCWTKRY-UVTDQMKNSA-N 452.264 5.471 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OC)c1OCc1ccc(Cl)cc1Cl 408775250 ZVKPMFKFMLUGDC-GRSHGNNSSA-N 459.373 5.741 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1Cl 408776889 RRVSMAPDNYGIKX-QJOMJCCJSA-N 487.987 5.183 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1ccc(O)cc1 408791130 UNOHIFSNWVTFFW-CIAFOILYSA-N 489.358 6.977 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccccc1 408791840 DHJAYWNRMYDJNK-FYJGNVAPSA-N 491.385 6.281 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OC 408825290 RWLLKQHQNSUQJI-AWNIVKPZSA-N 495.757 5.073 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1Cl 408885925 BRRNDOAHKKTOKX-XDHOZWIPSA-N 462.889 5.171 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1 408886877 JOLIYYCFQWHTCQ-UKTHLTGXSA-N 452.810 5.271 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408994890 HNOKKOWEHCSUGK-RGXNXFOYSA-N 465.641 6.255 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCC(=O)Nc1ccccc1C 409007266 NIMYIZPWROXTSC-HMAPJEAMSA-N 469.541 5.184 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1ccc2ccccc2c1 409056440 RJIDLYJVJLZPPW-OCSSWDANSA-N 472.972 6.543 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(C)cc1 409067034 NLMRCNMWDCNCDJ-LFVJCYFKSA-N 486.999 6.900 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 409073217 VOIXCVOVKPSBSP-LFVJCYFKSA-N 497.551 6.155 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc([N+](=O)[O-])c(Cl)c4)c3C)cc2c1 409187678 SZLQNCGYPZUECV-ZMFRSBBQSA-N 480.908 5.565 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1 409221222 MUWIQFPQATVLEZ-CSMVZQPBSA-N 460.961 6.102 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1Cl 409270408 FNQTUJDYQWYKBO-PPDIBHTLSA-N 490.774 5.737 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1OC 409311693 HDOOLOXCWPUOAU-MBTHVWNTSA-N 487.383 6.134 50 40 JKGB O=C(COc1ccc(I)cc1)N/N=C/c1c2ccccc2cc2ccccc12 3192753 NRXGAINSGMAUAH-AFUMVMLFSA-N 480.305 5.127 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1C 8722637 WJFXIDPUPSWXKZ-ZHZULCJRSA-N 489.959 5.610 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)c1ccc(F)cc1 8812472 QVCPCKMZIQBSFF-LGJNPRDNSA-N 450.311 5.355 50 40 JKGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 9311162 SCAYROQLSWIWKT-FOKLQQMPSA-N 475.244 5.366 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 9909823 UMPOPSUABSYACQ-YDYXIROLSA-N 457.530 5.199 50 40 JKGB Cc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)n1-c1ccc(Br)cc1 12559693 WTEYCQDNTZEOFQ-XDHOZWIPSA-N 494.845 7.698 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1OCc1cccc2ccccc12 13892653 JISIKHJKLFWJLW-LQKURTRISA-N 483.618 6.271 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc2ccccc2c1 33482118 OTQRLTHJGSRIAT-JJFYIABZSA-N 464.779 8.443 50 40 JKGB CCCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 33871375 LCGSBRMAMZGISC-OQLLNIDSSA-N 497.311 6.201 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1 34746141 PDEMDYXFFLCPNL-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OC)c1OCc1ccccc1 59104293 JTGRLDYXYWHFNW-ONUIUJJFSA-N 491.591 5.750 50 40 JKGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(O)CC(C)(C)CC3=N2)cc1 104142461 MTSLAPOXSPBJEA-QHCPKHFHSA-N 493.654 6.424 50 40 JKGB Cc1cc2nc(/C(C#N)=C\c3cc(Br)ccc3OCc3ccc(F)cc3)[nH]c2cc1C 408543422 OZWWEBSWGHACGK-ODLFYWEKSA-N 476.349 6.725 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 408568630 VOTFCIXCCISRQW-MSXFZWOLSA-N 488.725 5.354 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(OCC)c1OCc1ccc(Cl)cc1 408568884 XGWSKIWQFPBUHI-BKUYFWCQSA-N 487.962 7.126 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1cccc(F)c1 408579825 KACIXNOXCGASQT-GIJQJNRQSA-N 472.741 6.893 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccccc1C#N 408788306 CDRCWZGBCUSEJC-CIAFOILYSA-N 457.917 5.735 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)cc1 408790655 QLDWACGJFRPWFA-VCHYOVAHSA-N 453.325 6.132 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c(C)c1 408792598 LIODSSKJBAYVIP-UDWIEESQSA-N 461.905 5.990 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1OCc1cccc(Cl)c1 408818575 YKUKSYIIRKVKJW-RPPGKUMJSA-N 463.748 5.755 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1 408886694 LISOJKZQCOWMLE-PTGBLXJZSA-N 490.515 5.781 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 408887955 VIXUQNCCOBUKAF-KBKYJPHKSA-N 468.167 6.643 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccc(C(C)(C)C)cc1 408966099 JWSYSCMBOROHOR-CVKSISIWSA-N 452.396 5.918 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(Sc3ccccc3)o2)cc1 409002489 NUKIUASJXRGZNL-CVKSISIWSA-N 494.414 6.365 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 409065008 KBZATVLBDWPIEJ-SFQUDFHCSA-N 474.763 5.934 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1ccc(C)cc1 409071963 AAFIWTXYJXHCFB-PCLIKHOPSA-N 454.526 6.674 50 40 JKGB O=C(COc1cccc(Br)c1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1 409101801 YUWCDZNHCVOFQC-CFRMEGHHSA-N 475.795 5.783 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1cccc(C)c1 409189656 MIPJFGBEUJHWKS-LGJNPRDNSA-N 487.781 5.762 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1cccc2ccccc12 409248570 HCZNERARWICLNU-UHBFCERESA-N 476.935 5.913 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 409250911 NJQZPBUVSYTLJI-UNOMPAQXSA-N 475.932 5.220 50 40 JKGB C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)NN(c1ccccc1)c1ccccc1 409336547 PBNYVVMXXKJSPQ-BWKNWUBXSA-N 475.589 5.355 50 40 JKGB CCOc1cc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(Cl)c(Cl)c1 409369197 HIWDTMWHROAORD-OAQYLSRUSA-N 474.388 6.149 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cccc(Cl)c1 409372571 FFGCXOTVRPSGFG-LDADJPATSA-N 472.932 5.697 50 40 JKGB N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1cc(Br)ccc1F 850011 OPLOKHAAZLNJTH-HNNXBMFYSA-N 479.231 5.011 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 1062721 IRKRBWDMJROOSQ-CPNJWEJPSA-N 463.331 5.582 50 40 JKGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 2553603 YVIUPLSFOMZDIY-QGOAFFKASA-N 471.504 6.087 50 40 JKGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(OCc2cccc(Br)c2)cc1 3175035 IHDCZHPGZYPUGC-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB COc1ccc(C(=O)N/N=C(/C)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 8400163 GYFBUJTYAZHBBE-MBTHVWNTSA-N 486.355 5.174 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)Nc3ccc(C)cc3)c2C)sc2c1CCCC2 8861415 CENMTDSDQBCOOS-JFLMPSFJSA-N 478.618 5.675 50 40 JKGB CC(C)(C)C1CCC2(CC1)C(C#N)=C(SCC(=O)Nc1ccc(F)cc1)N=C(O)[C@H]2C#N 9015487 QFLQZLSTWDSQSH-FOJWHLSFSA-N 454.571 5.565 50 40 JKGB CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1 9090403 NWMGLMUMQDGHCX-YYADALCUSA-N 490.611 5.195 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)cc1 9259018 IWVPKJRHYMGDIY-YBFXNURJSA-N 482.353 5.228 50 40 JKGB Cc1ccc(Cn2c(SCC(=O)N/N=C\c3cccc4ccccc34)nc3ccccc32)cc1 9380197 OBNLVMZNSIYKFN-RHANQZHGSA-N 464.594 5.789 50 40 JKGB CC(C)(C)c1ccc(OCCn2cc(/C=N/NC(=O)Nc3ccccc3)c3ccccc32)cc1 9680413 VHTBOAXRKCSDEZ-VUTHCHCSSA-N 454.574 6.173 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(Br)c1O 12140015 OIFWRNVCHPCWBB-AWNIVKPZSA-N 492.192 6.113 50 40 JKGB O=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)N/N=C/c1ccc(Br)cc1 28296646 WQZJDVKXVFWNEW-OGLMXYFKSA-N 473.374 5.520 50 40 JKGB N#CC1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@H]1c1cccc(Br)c1 34138505 OJEOKWUXUMATGV-NRFANRHFSA-N 457.327 5.551 50 40 JKGB O=C(N/N=C/c1cccn1-c1cccc(Br)c1)c1cc2cc([N+](=O)[O-])ccc2s1 35328118 RGERAMGLRNMCMN-WSDLNYQXSA-N 469.320 5.127 50 40 JKGB N#CC(=C\c1ccc(OCc2cccc3ccccc23)cc1)/C(O)=N/c1nc2ccccc2s1 41108882 XATXZILLWBKHKW-CJLVFECKSA-N 461.546 7.224 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1Cc1ccccc1F 59336398 SANRKMTYCRORTO-AQTBWJFISA-N 478.354 6.990 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cccc(C(F)(F)F)c1 209390633 BSNMSIDWDVYTSJ-WQLSENKSSA-N 461.783 6.073 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1 408581339 WGGMJDZISIRZHC-RGVLZGJSSA-N 468.778 7.063 50 40 JKGB O=C(N/N=C\c1ccc(Br)cc1)c1ccc2c(c1)CN(c1cccc(C(F)(F)F)c1)C2 408728639 QLIAGVGASUCCCL-NVJOKUIPSA-N 488.307 5.752 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408744348 XYNRHWQKVHACIY-YUMHPJSZSA-N 475.636 7.108 50 40 JKGB COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl 408794550 SOGKNUOPNFTVOF-DEDYPNTBSA-N 476.916 5.016 50 40 JKGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br 408809444 OABXJXQPLJDUCG-NTUHNPAUSA-N 454.151 6.089 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1 408820169 VTPCBBJLXASPMC-VXLYETTFSA-N 470.356 6.032 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc5c(c4)OCO5)cc3)cs2)cc1 408839225 OZGVTZOBEDSCGQ-LGJNPRDNSA-N 456.527 5.355 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(O)c1 408842342 JCRHEEXPVNYJFD-STBIYBPSSA-N 499.640 6.178 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(C)c1OCc1ccc(Br)cc1 408852093 ICZOCLPQUXENDZ-LGJNPRDNSA-N 471.782 6.062 50 40 JKGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1CC=C 408853882 ZBWIVYKEJUWONS-JDCMOKTRSA-N 475.592 6.510 50 40 JKGB CSc1ccc(/C=N/NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408862234 XSPISBKWEGVBIZ-WPWMEQJKSA-N 495.670 5.186 50 40 JKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2Br)c1 408866812 IQSNVJKAJWWGDK-SSDVNMTOSA-N 493.832 7.164 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccc(C)cc1 408891049 KLNUSMLEDOJZNK-YBFXNURJSA-N 477.904 5.690 50 40 JKGB CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408895428 KIZCFLOBKYSWIB-LFIBNONCSA-N 462.333 6.406 50 40 JKGB COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)c2)cc1 408898936 YMAQXAAAGHJNFQ-QGOAFFKASA-N 477.314 5.223 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1 408922042 CUYCUDRNNSFZLD-GHRIWEEISA-N 481.733 5.867 50 40 JKGB Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c1 408939928 NMVATQVLYAWJAI-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1C 409005570 FGTDTAGVYDVFAQ-HAHDFKILSA-N 483.568 5.574 50 40 JKGB O=C(N/N=C\c1cccn1-c1cccc(Br)c1)c1cc2cc(Br)ccc2o1 409012066 IXMZYJBJRYFWJW-FMCGGJTJSA-N 487.151 5.512 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1OCc1ccc(C(=O)O)cc1 409070192 DUWKIDGZMDBPQV-MFKUBSTISA-N 496.563 5.863 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(O)cc1 409070663 DKIZDSBANMRWSO-RQZCQDPDSA-N 483.307 5.522 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 409202669 SOCJLPUYHXUUDP-ZDLGFXPLSA-N 480.274 5.909 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(Br)cc2)cc1 409218814 HHOSIEZRCLUHIN-MXAYSNPKSA-N 471.738 5.394 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1OCC(=O)Nc1ccccc1 409240465 UAOQPGABILADQI-AQTBWJFISA-N 495.457 5.277 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc(OCc4ccc(Cl)c(Cl)c4)c3)CC2=O)cc1 409251146 OOXSIUBLXPFDRD-ZVEFNMQLSA-N 496.394 5.384 50 40 JKGB CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C2C#N)cc1 409322878 YKQXYEHYUIXBIA-HNNXBMFYSA-N 477.533 5.138 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC 409330506 AUWWWJOOERLJQU-NTFVMDSBSA-N 480.948 5.265 50 40 JKGB CC(C)(C)c1ccc([C@H]2[C@H]3CN(C(=O)OCc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1 662475 ARLBHVVJLDILMP-UIOOFZCWSA-N 491.595 5.046 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(C)c(Cl)c3)C3=C2C(=O)CC(C)(C)C3)cc1O 707306 QTSMAFVXJWDZRG-QHCPKHFHSA-N 463.965 5.304 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cn(CCOc3cc(C)ccc3C(C)C)c3ccccc23)cc1 2769324 JWXTYJFUEKDMAO-PTGBLXJZSA-N 493.607 6.706 50 40 JKGB Cc1ccc(S(=O)(=O)N[C@@H](c2cccs2)P(=O)(c2ccccc2)c2ccccc2)cc1 3214920 GTRWMAFNGAQUGM-XMMPIXPASA-N 467.552 5.048 50 40 JKGB O=C(N/N=C\c1cccc2ccccc12)c1ccc2c(c1)CN(c1cccc(C(F)(F)F)c1)C2 8385847 YBAXZDFWRPXMLY-BVMLUPFRSA-N 459.471 6.143 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1F 8721523 CMHFALJDBWLYAD-PDGQHHTCSA-N 485.342 6.656 50 40 JKGB COC(=O)c1cc(N/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc(C(=O)OC)c1 8744554 XJRLSIOLDSANMJ-XMHGGMMESA-N 469.522 5.513 50 40 JKGB O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 14166486 WNNSGHSGDFDFKT-OHUAGKJDSA-N 491.616 5.477 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Br)c1OC 16439535 WORYNKMQSRIMFI-KPKJPENVSA-N 470.150 5.709 50 40 JKGB CCC(=O)N/N=C(\C=C/c1cccc(O)c1)c1sc(Nc2ccc(C)cc2[N+](=O)[O-])nc1C 17210582 AYQGDCRHPBIPGC-JQYJAOMTSA-N 465.535 5.061 50 40 JKGB CC(C)(C)[C@@H]1CC=C2[C@H](C1)[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)C2(C#N)C#N 19853292 KPMDRDWXBMRHGE-AFBRZQFHSA-N 453.359 5.454 50 40 JKGB CSc1ccc(/C=C2\CN(C(C)C)CC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1 20528791 ZGKQIICFGDVMQM-VGNXUAKHSA-N 475.683 6.000 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1Cl 40846862 JJUZRNSLMAPHGB-LQKURTRISA-N 450.966 5.989 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C(F)(F)F)C3=C(O)CCCC3=N2)c1 100703127 GNJYRVOFKZVIEA-HSZRJFAPSA-N 497.542 6.655 50 40 JKGB C(=C\c1ccccc1)\C=N/c1ccc(SSc2ccc(/N=C/C=C/c3ccccc3)cc2)cc1 104313872 UTZIQCCOURHJMP-IZZGNXDQSA-N 476.670 9.317 50 40 JKGB Cc1cc2c(cc1/C=N\NC(=O)COc1cccc3ccccc13)[C@@H](C)CC(C)(C)N2C(C)C 223596023 BDZPDTAHAYOCHT-TVFHRURHSA-N 457.618 6.178 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)c3ccc(Br)cc3)cc2)cc1 408579257 FMCUUUJICXFKAQ-XMHGGMMESA-N 454.345 5.589 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1cccc(F)c1 408675797 BBAMPCUUSWDUCD-RDRPBHBLSA-N 461.537 5.168 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Br)c1 408735888 YYYFKXSIZPWKHQ-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)cc1 408745293 QWSRJCDECSOZNL-JAIQZWGSSA-N 492.362 6.388 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1 408757599 ASUVWQVGEISISD-OQKWZONESA-N 468.534 5.462 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)c3ccc(Br)cc3)c2C)sc2c1CCCC2 408769370 SDTQWBDFXUNJJB-UYRXBGFRSA-N 495.442 6.648 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccccc1F 408790658 QLJPDMCNQDHNSC-CIAFOILYSA-N 478.951 6.619 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c(C)c1 408791798 CQBUQRKXGVAIFD-VXLYETTFSA-N 485.798 7.388 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c(C)c1 408793592 FVGSOACAHYDAEF-UDWIEESQSA-N 495.804 6.844 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2c(C)ccc3ccccc23)cc1 408797694 GWKKTBZTCCGRLD-XQNSMLJCSA-N 496.994 7.325 50 40 JKGB CC(C)(C)C1CCC(=NNC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)CC1 408833923 XBLIDEGUWGBGMS-UHFFFAOYSA-N 460.666 5.327 50 40 JKGB COC(=O)c1ccc(C)c(-c2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)o2)c1 408859039 SGIGVSXVEMRESO-ROTLSHHCSA-N 481.302 5.314 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12 408883934 VIAQIAXUJCTMLO-CPNJWEJPSA-N 452.470 5.152 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCc1ccccc1F 409021620 QOUZZZGTIJDFFD-NVJOKUIPSA-N 487.314 6.230 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409082246 RSBQAKGSJGQFBM-KGENOOAVSA-N 466.497 5.851 50 40 JKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c1 409375024 DGLZKJZRKQYVSR-UNOMPAQXSA-N 477.923 5.659 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1C 2078254 CUAFZWJTESOGQL-JFLMPSFJSA-N 497.389 5.508 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)c1 2336103 CXCWGYVGQFOCMZ-YMGIJWJESA-N 473.985 5.713 50 40 JKGB COc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3Cl)N(c3ccccc3)C2=O)cc1 2336239 SYRMFWINOJYXLC-RKZIHRPTSA-N 489.984 5.414 50 40 JKGB COc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(Br)c1 3081110 GQTLPXOEVOUAQK-YSURURNPSA-N 498.160 5.554 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1Br 3236794 SVPYJYDQGCNJQF-UKTHLTGXSA-N 450.130 5.156 50 40 JKGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Br)c1 8722720 VQPNGUTWDSRJRT-FZVPUQAXSA-N 453.380 5.630 50 40 JKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1OC 8763837 HGBABEPYDRDEDB-HZHRSRAPSA-N 489.641 6.556 50 40 JKGB CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc(Cl)ccc3O)cc2)cc1 9434754 ABKKHAMBEDYTDT-JFLMPSFJSA-N 450.922 5.326 50 40 JKGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C(\C)c3cccc4ccccc34)cc2)cc1 12563817 BPPKCWPHNQBVKS-TURZUDJPSA-N 487.581 5.193 50 40 JKGB N#C/C(=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 15906548 ISUCRZNLJDVGGL-ATJXCDBQSA-N 466.478 5.897 50 40 JKGB Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1C 20243695 SAHGVCMUJRHUGF-BRJLIKDPSA-N 490.854 6.061 50 40 JKGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c1 28215954 NDMOYNASYQWYOK-KKMKTNMSSA-N 474.457 6.401 50 40 JKGB CC(/C=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)=C\c1ccccc1 30742773 LJHAETJSTOPXET-NWEAJZBKSA-N 475.064 5.781 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cccc(Br)c1 58914592 BNHLLLDKOQMFGL-RMORIDSASA-N 481.133 5.105 50 40 JKGB COC(=O)c1cc(NC(=O)c2cc(SC(Cl)Cl)c3ccccc3c2O)cc(C(=O)OC)c1 59662792 IFLZWGLVXDQWQY-UHFFFAOYSA-N 494.352 5.224 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)c1ccc(Br)cc1 408581740 ZCBSCHFHNRECMJ-LDADJPATSA-N 467.750 6.184 50 40 JKGB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@H]5[C@@H]4C[C@H]3[C@H]5Br)cc2)c1 408678132 BIMLEJZZEOIKPZ-OMIWWWDHSA-N 484.390 5.420 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 408743892 HZOCIAUVOBURGD-NVMNQCDNSA-N 499.767 6.675 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccccc1Cl 408772612 DLNKJWXCBDGDFX-LZYBPNLTSA-N 463.759 5.122 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1 408851781 GBXCPBAGBFMPNX-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)o2)c1 408856297 QDESSOWYHBDHFO-VROXFSQNSA-N 487.693 5.571 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1OCc1cccc([N+](=O)[O-])c1 408868279 PHGGDCYSAHVHQU-HYARGMPZSA-N 471.513 5.681 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2ccccc2)ccc1OCc1ccc(Cl)cc1 408870299 UHGHHYRNHTUEMR-CVKSISIWSA-N 454.979 5.560 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2cccc(F)c2)cc1 408878444 ATQKVTFBJRKNAN-DEDYPNTBSA-N 493.332 5.511 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccccc1 408889725 GFHPUFHGTLOTEK-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)o1 408904672 MWNMJCHAWPSZEX-JJFYIABZSA-N 473.283 5.090 50 40 JKGB N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccc(C(=O)O)cc1 408926197 VZDCKQZBGNNANF-XIEYBQDHSA-N 498.538 6.816 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1cccc(Cl)c1 408933869 BUPWPQRJIJQGKO-MFOYZWKCSA-N 457.744 6.771 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC 408985079 UYHKIKJLNMMARL-SXGWCWSVSA-N 475.770 5.920 50 40 JKGB Cc1ccsc1/C=N/NC(=O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 408995473 JMSKTDFVCJHVAF-TWKHWXDSSA-N 461.590 6.945 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1Cl 409022773 SKEKUFVUDFNZBX-OPVMPGTRSA-N 469.708 5.099 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(O[C@H](C)CC)c(OC)c3)cc2c1 409186569 DWXMLYPSPZQUHO-VLKICEKPSA-N 489.366 5.544 50 40 JKGB N#C[C@H](C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccccc1 409201769 XVOCWPHFGJEQAS-RBOCJAQVSA-N 461.352 5.754 50 40 JKGB COc1ccc([C@@H]2CC(=O)NC(SCc3ccc(Cl)cc3Cl)=C2C#N)cc1Cl 409303736 OGQMZSNJCWJMNQ-AWEZNQCLSA-N 453.778 5.927 50 40 JKGB CCc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 409363163 JYBZEVPGACMWEK-MBTHVWNTSA-N 471.384 5.836 50 40 JKGB COC(=O)c1cc(N/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(C(=O)OC)c1 2198128 UCDWBXHFMSKFDQ-GDNBJRDFSA-N 488.352 5.667 50 40 JKGB O=C(N/N=C/c1ccc(Br)cc1)c1[nH]c2ccc(Br)cc2c1-c1ccccc1 2202486 UQCUKRDBDZLQNE-DHRITJCHSA-N 497.190 6.124 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)c1 2305881 URJUEXMAFHYPGR-RCCKNPSSSA-N 469.972 6.596 50 40 JKGB Cc1cc(OCC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)c(C(C)C)cc1Cl 3173882 OOAWNEDFDOUFEW-UHFFFAOYSA-N 450.966 5.130 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cc([N+](=O)[O-])ccc1Sc1ccccc1 8383726 KJZFNCCVWLCDHI-MSXFZWOLSA-N 476.341 5.582 50 40 JKGB C/C(CC(=O)Nc1cc(Cl)cc(Cl)c1)=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 12629442 UQHLBYDKVDJZLY-IVWJEFBKSA-N 477.175 5.588 50 40 JKGB CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 13173872 CMLJHZLQJFKINW-DEOSSOPVSA-N 477.561 5.025 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 13387999 SAAGHUIJAWUEOL-LFIBNONCSA-N 465.849 5.231 50 40 JKGB COc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 19849165 LZGJMZSQQAGEFX-QRQIAZFYSA-N 479.005 5.379 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c(C)c1 20194978 SBDYNABXORPOEG-XODNFHPESA-N 475.803 6.535 50 40 JKGB COc1ccc(/C=N\NC(=O)c2ccccc2O)cc1COc1cc(C)c(Cl)cc1C(C)C 34379475 WQQAKWGXZBCEEC-MUXKCCDJSA-N 466.965 5.829 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(C)c1 59336037 IYJRCVAPMROWQC-MOSHPQCFSA-N 481.379 6.825 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59417169 VLNHWBSSCQLDFO-MZJWZYIUSA-N 473.407 5.569 50 40 JKGB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C/c1ccc(N(CCCl)CCCl)cc1 100788573 XUUKBNSAUFVPMU-LDADJPATSA-N 480.779 5.128 50 40 JKGB CC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C)o3)C3=C(O)CCCC3=N2)cc1 102878440 MBUKSOUOJLSZBY-HSZRJFAPSA-N 461.543 5.432 50 40 JKGB CC1(C)CC2=NC(SCC(=O)NC(C)(C)C)=C(C#N)[C@H](c3ccc(Cl)cc3)C2=C(O)C1 104165597 VJAAVVHFXLQDOP-FQEVSTJZSA-N 458.027 5.893 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 408544151 VBVAFQQUVJRYCU-XYGWBWBKSA-N 466.512 6.575 50 40 JKGB C=CCOc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Br 408569920 RBHQYAFFVPDOSR-YDZHTSKRSA-N 493.448 5.022 50 40 JKGB CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 408605731 MXCLVLWPXSGNSX-GOSISDBHSA-N 475.357 5.201 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Br)cc1 408725999 NWWCPXROTRMWLF-MOSHPQCFSA-N 477.358 5.891 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c2C)sc(C)c1C 408743609 HCEWYIXDDZJAQR-BKUYFWCQSA-N 461.587 5.803 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(OCC)c1OCc1ccc(Cl)cc1 408745263 QRLNPPSTWNOGJB-JLPGSUDCSA-N 486.999 6.900 50 40 JKGB N#C/C(=C\c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1ccc2ccccc2c1 408759628 IEXKFYGIEDWTLN-KGENOOAVSA-N 499.504 5.061 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 408772736 HQGNRRCBNQJUPT-QRQIAZFYSA-N 468.513 5.198 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2c(C)ccc3ccccc23)cc1 408806131 AWIPGAMCKCKICQ-HZHRSRAPSA-N 466.968 7.235 50 40 JKGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)o1 408846565 OBZBVDRLVOOYII-XFXZXTDPSA-N 458.257 5.716 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1Cc1cccc(F)c1 408875710 GZOXDDWXHNDHJQ-VCHYOVAHSA-N 497.339 6.262 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1c(Cl)cccc1Cl 408900553 WAHUPCVWFDNWAQ-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1cc2cc([N+](=O)[O-])ccc2o1 408961491 MPRFFVRRRIUOKZ-RPPGKUMJSA-N 484.295 5.991 50 40 JKGB O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)c1 409029720 AQUBKHSESACLMO-STBIYBPSSA-N 461.477 5.624 50 40 JKGB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)c1 409032590 CNSQWDUCAKTWFC-UHBFCERESA-N 495.922 6.277 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1F)C(=O)Nc1cccc(Cl)c1 409044405 BXTNYQPAYQAIAT-LZYBPNLTSA-N 475.734 6.911 50 40 JKGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 409047760 PJVOAXGRKPWVRJ-ZPDRWNALSA-N 491.429 6.458 50 40 JKGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1cccc(I)c1 409069852 XYQANAMRMMSCRZ-YDZHTSKRSA-N 492.769 5.860 50 40 JKGB COCCN1C(N)=C(C#N)[C@H](c2ccccc2OCc2ccc(Cl)cc2)C2=C1CC(C)(C)CC2=O 409130017 SXXCSRFKQOESRU-VWLOTQADSA-N 492.019 5.302 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1cccc2ccccc12 409148734 RAMIVNSWQAUYNW-HHHXNRCGSA-N 450.494 5.351 50 40 JKGB O=C(/C=C/c1ccccc1)Oc1c(/C=N\NC(=O)c2cccc3ccccc23)cccc1[N+](=O)[O-] 409225127 OQNXSXRCZHUKHL-ZQFCFKERSA-N 465.465 5.131 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)c1ccccc1 409232315 QBDACAYBHZRBJO-GRRFOWRYSA-N 456.285 5.946 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc(I)cc1 409372881 PMTWEQFISFPAFX-ZROIWOOFSA-N 475.669 5.967 50 40 JKGB COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2Cl)cc1 409378482 PYQHBTURPYURRU-UYRXBGFRSA-N 475.932 5.220 50 40 JKGB Cc1cc(C)c([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1CSc1ccc(Cl)cc1 651022 ZNGYNUWRUZPVOD-ZEQKJWHPSA-N 485.056 6.843 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1453288 CEBXPDWWNMZUKQ-UKTHLTGXSA-N 461.783 6.073 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCOc1ccc(C)cc1 1810835 COFGFMLHCNVYOI-CJLVFECKSA-N 461.945 6.486 50 40 JKGB O=P(C(=S)Nc1c(F)cc(F)cc1Br)(c1ccccc1)c1ccccc1 2561323 IYOXVOVLRPXEFO-UHFFFAOYSA-N 452.260 5.438 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 3083988 YSAIHWOGBVNBRR-MUFRIFMGSA-N 471.944 5.469 50 40 JKGB CCOc1cc(Br)c([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OCC 3672648 LMCFIHWQFVTCLK-QFIPXVFZSA-N 465.347 5.618 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1c(Cl)cccc1Cl 13922141 QJSOAIRVABIEKP-MUFRIFMGSA-N 494.378 6.136 50 40 JKGB CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)[C@@H](C)SCc1ccccc1 15135164 FXYIHCNCAVQPOJ-RAQUAXEKSA-N 470.639 5.485 50 40 JKGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 23411062 JLCVZHDIDPTOGU-LQKURTRISA-N 464.949 5.386 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c1OCc1ccc(Br)cc1 33535660 WZXAHACKXBJJGT-AQTBWJFISA-N 481.321 5.721 50 40 JKGB Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 59225082 RJKRRSXYEQDQEN-LDADJPATSA-N 461.861 5.322 50 40 JKGB N#C/C(=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)S(=O)(=O)c1cc(Cl)ccc1Cl 96669406 TZXBLFJMGNHGST-ZSOIEALJSA-N 493.353 5.181 50 40 JKGB C[C@@H](Sc1nnc(-c2sc3ccccc3c2Cl)o1)C(=O)/C(C#N)=C1/Nc2ccccc2S1 104805086 SRNKQBPWARYXKY-IVIHXBJOSA-N 497.026 6.607 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc(Br)cc1F 408543726 SLMLYNBFRLQNTD-MFOYZWKCSA-N 482.309 5.240 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408599550 WFEDZBSHYDIJPE-NVMNQCDNSA-N 499.748 6.662 50 40 JKGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408612582 VXCUFMOMKIWQDG-MZJWZYIUSA-N 470.356 5.224 50 40 JKGB O=C(O[C@H](C(=O)c1ccccc1)[C@@H](Br)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 408674384 ZPUOZWRHYRXUNT-FPOVZHCZSA-N 488.721 5.793 50 40 JKGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 408779910 NKHJGLPYNYIGOP-CHHVJCJISA-N 468.178 5.766 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)cc1C 408793476 FAPBOIJQYYJOCF-UFFVCSGVSA-N 476.363 6.607 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 408798209 VFUWXHKXGCSEHJ-LFIBNONCSA-N 465.849 5.231 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1 408801485 TZSHZYWNRABNOG-KGENOOAVSA-N 460.917 5.641 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2c(C)ccc3ccccc23)c(C)c1 408804104 VVDDTFCEVHTVMW-BUVRLJJBSA-N 480.995 7.543 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408842965 CLFKVXFMKOVGNE-FMQZQXMHSA-N 498.322 5.343 50 40 JKGB COc1ccc(OCC(=O)N/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 408847809 SEPWHVKJYDUZSC-KSEXSDGBSA-N 495.782 5.384 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1c(Cl)cccc1Cl 408883836 WXAKJODCDHEQER-FOWTUZBSSA-N 471.727 6.412 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Cl)c2)c([N+](=O)[O-])c1 408888349 UMJBFHGOMVVXCB-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(OCc2ccccc2Br)c1 408898505 WKTLDRRXHVEOLY-FYJGNVAPSA-N 491.385 6.199 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408899877 RJDCANFHZGZPJN-LFIBNONCSA-N 478.848 5.803 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)c(C)c1 408908794 SCFNKWLJFYUPKR-OGLMXYFKSA-N 495.417 5.818 50 40 JKGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 408955864 PLTFAJMKWULCBB-JCELIBCGSA-N 475.814 5.958 50 40 JKGB COc1cccc2cc(C(=O)N/N=C/c3ccccc3OCc3ccc(Cl)c(Cl)c3)oc12 408972084 RSQHWTOGOWRPAM-UVHMKAGCSA-N 469.324 6.091 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 408973333 LRPRVQIQZKUWPF-CZECRJHMSA-N 487.625 5.056 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(C)cc1 409007727 QNMAKPBCKCHQRT-HAHDFKILSA-N 483.568 5.574 50 40 JKGB N#C/C(=C\c1cc(Br)cc(Br)c1O)C(=O)Nc1cccc(C(F)(F)F)c1 409044093 AUAWQYLGHLSIBU-ONNFQVAWSA-N 490.073 5.482 50 40 JKGB N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccc(F)cc1)c1ccccc1 409059160 UOAPEPOVFBFNLE-VCHYOVAHSA-N 487.166 6.994 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc(C)cc1 409065125 HOPDHPHDYMNTPE-BUVRLJJBSA-N 497.551 6.155 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)cc1OC 409315556 JTNQWDCKIJBLHT-MBTHVWNTSA-N 487.383 6.134 50 40 JKGB C=C(/C(C#N)=C/c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1Cl)c1ccccc1N 409331172 CRDMIXPLMIPUDE-XDHOZWIPSA-N 454.788 7.356 50 40 JKGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccccc1OCc1cccc2ccccc12 409389926 AZLGGTHHDGSKHP-BIZUNTBRSA-N 459.549 6.134 50 40 JKGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)sc2c1CCCC2 1453390 KSIKMKIFXKBCQS-NTCAYCPXSA-N 450.491 5.358 50 40 JKGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 3666772 BITRHRDQESZPJB-XGVLDKRDSA-N 484.408 5.532 50 40 JKGB O=C(NC1CCCCC1)NN(C(=O)Nc1ccccc1)c1nc(-c2cccc(O)c2)cs1 8754528 OVFYABXCUAPDTF-UHFFFAOYSA-N 451.552 5.101 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 9187360 TVQNGUISTNXKAM-SSDVNMTOSA-N 482.584 5.099 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCc1ccc(C(=O)O)cc1 9323429 ZXDYXDZSICBQOA-UDWIEESQSA-N 464.315 5.799 50 40 JKGB N#C/C(=C\Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2cccc3ccccc23)cs1 11853142 INABZPVIYSSRHZ-NTCAYCPXSA-N 455.892 7.612 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)cc1 13286094 XYBDSWVWYGEJTA-YUMHPJSZSA-N 458.905 5.778 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1 27532479 FEDHXSXZRBVLHJ-LFIBNONCSA-N 465.849 5.231 50 40 JKGB C/C(=N/NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1ccc(-c2ccccc2)cc1 33762312 YTQXPPGNHMRRRG-ITYLOYPMSA-N 475.595 5.370 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2C(F)(F)F)c1C 58913236 PUVMTVGFFXPWHX-KVSWJAHQSA-N 476.886 5.164 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1cccc2ccccc12 59101787 RVSSHTRVAPOUNY-RUMWWMSVSA-N 489.575 6.372 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 59117592 AWPPWRHQCPAKQE-GZTJUZNOSA-N 464.327 6.681 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(I)c3)c2C)cc1 59335141 IEAPLASRNDDHCF-UNOMPAQXSA-N 481.337 5.553 50 40 JKGB O=C(N/N=C/c1cccc(Br)c1)c1ccc(OCc2ccc(Br)cc2)cc1 59499232 QITHUUABYFKSHJ-ZMOGYAJESA-N 488.179 5.555 50 40 JKGB O=C(N/N=C/c1cc(Br)cc(Cl)c1O)c1cc2cc(Br)ccc2o1 59679974 ZLQTVYZSVAILSW-IFRROFPPSA-N 472.520 5.081 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 107907934 LOSFCUBXAVICFQ-ZDLGFXPLSA-N 453.267 6.140 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 108275636 DYSRLHPSDHSNDI-YSMPRRRNSA-N 474.520 6.517 50 40 JKGB Cc1ccc(/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 408578664 AGRAUPGKPMXLJV-YBFXNURJSA-N 458.366 6.442 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1I 408789716 RMWBPVJFJKQWNN-GZTJUZNOSA-N 458.299 5.019 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1cccc(C)c1 408812969 CGYBSFVQTKGOTF-ODLFYWEKSA-N 495.348 6.030 50 40 JKGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)o2)c(C)c1 408851122 IPNUMYHUMLBPST-ROTLSHHCSA-N 481.302 5.314 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Cc3cc(C)cc(C)c3)ccc3ccccc23)cc1 408874208 ZJXZSOWYUGXWSQ-NLRVBDNBSA-N 474.560 6.380 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F 408880438 JVVJQHGCHAYTEB-LICLKQGHSA-N 454.860 5.751 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1OCc1ccccc1 408890310 RESUTLCWADNULS-DEDYPNTBSA-N 473.485 5.127 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1 408893789 FPWUOVKXOGIKQG-HAVVHWLPSA-N 496.588 6.078 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OC)c1OCc1ccc(C)cc1 409073148 XRIDAEAYDQOXQX-LFVJCYFKSA-N 468.553 5.865 50 40 JKGB N#C/C(=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1 409076659 BQHHIZSCYJVCOQ-GDNBJRDFSA-N 464.821 5.494 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2)cc1OCC 409315553 NQSAADVHFIPPQK-QRQIAZFYSA-N 466.965 5.870 50 40 JKGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3Cl)nnc2-c2ccc(C)cc2)cc1 1822911 SINGJEXQPNMVLB-JFLMPSFJSA-N 492.004 5.147 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(C)c1 3772273 QLMLXHITTQHDAP-DEDYPNTBSA-N 474.391 7.159 50 40 JKGB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)c1cc(-c2ccncc2)nc2ccccc12 8826367 AUMDKLXMCGDSIY-IBBHUPRXSA-N 498.949 5.406 50 40 JKGB COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)cc1 9210359 BCHWADCOWIKLGB-SAPNQHFASA-N 466.522 5.478 50 40 JKGB COc1ccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 9379773 ZZNZIFGWYYCZFR-PKAZHMFMSA-N 492.004 5.229 50 40 JKGB CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)cc1 9462207 VIZWVPFYJXVOFS-HKWRFOASSA-N 454.555 5.468 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)c3c[nH]c4ccccc34)N(c3ccccc3)C2=O)cc1 11851792 NBUYLIWBAPSQTH-YKMWHWIESA-N 463.562 5.786 50 40 JKGB COc1ccccc1NC(=O)C1=C(C)NC(SCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1 12250632 XNEDSAZXQITZLS-SANMLTNESA-N 467.594 5.963 50 40 JKGB C/C(=N\NC(=O)CSc1cc(C)c(Br)cc1C)c1ccc(C2CCCCC2)cc1 12562156 OYHMPMPJWATLTG-NLRVBDNBSA-N 473.480 6.746 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(Br)c1O 13648313 ZDOAXQHFCWRNPZ-LSCVHKIXSA-N 463.356 6.504 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCc2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccccc1Cl 20171370 BURGSTRZPOEYIL-JOCHJYFZSA-N 471.409 6.352 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12 22750123 JPTHHYYVVLTHRJ-BIZUNTBRSA-N 491.978 6.898 50 40 JKGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 28214213 FLKXDIUBUHPKAD-JZNDDVEWSA-N 485.968 5.128 50 40 JKGB CCOC(=O)c1c(NC(=O)N/N=C\c2ccc(Cl)cc2Cl)sc2c1CC[C@@H](C)C2 32511876 FPNUHSXWNMMWSU-LYBFXVFKSA-N 454.379 5.512 50 40 JKGB CC[C@H](C)Oc1ccccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1 33450599 ZDELXAQVUVCOOD-JXGPUUQSSA-N 485.584 6.207 50 40 JKGB N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1nc2ccccc2s1 33568778 QOIWGUPMZWCCFI-TXSZGURLSA-N 482.612 7.716 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccc(Cl)cc1Cl 35128402 XWLAFNPGYXXEKS-PXNMLYILSA-N 462.735 7.438 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccc(C)cc1 59117339 USPFTHBBAYEEPP-LDADJPATSA-N 481.335 6.075 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 59335677 NBSNQYLYIYGXKW-HAHDFKILSA-N 487.397 6.611 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)Nc1cccc(Cl)c1Cl 59336151 FTIVGJCGSAOUMZ-HMAPJEAMSA-N 473.359 7.271 50 40 JKGB CC1(C)CC[C@]2(C(=O)NN)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 96113537 APYOKISKLZLBOK-CIFLVUEOSA-N 486.741 5.110 50 40 JKGB biogenic CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N=C2CCCC(O)=C21 102503826 KZGXPYQEPPRPON-DEOSSOPVSA-N 494.016 6.380 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1Cl 207051730 IMBXHGKQLGIYMJ-SRZZPIQSSA-N 490.943 5.270 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1OCc1cccc2ccccc12 408527034 DRVRCMDBNHVKHE-HAHDFKILSA-N 470.366 7.254 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)Nc1cccc(C(=O)O)c1 408542755 KWOHSEOOZCSLKS-YBEGLDIGSA-N 497.385 5.650 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccc(C)cc1 408569467 NZLXDEFWDMPKKF-GRSHGNNSSA-N 461.924 6.706 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])cc2-c2ccc3ccccc3c2)c1 408724266 JFVMQOAYIPTCFS-RDRPBHBLSA-N 475.508 5.673 50 40 JKGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1Br 408745703 OKONBJLCIWYGDN-DHDCSXOGSA-N 461.743 5.612 50 40 JKGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc2)cc1 408759027 WRLOYHNWLSSLPH-OQKWZONESA-N 477.520 5.412 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1OCc1cccc(F)c1 408768371 FPHYSYMUZFKXNE-MTJSOVHGSA-N 460.505 5.746 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 408787470 AOSUEUXKVUOTCW-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)c1C 408787551 BTFUMMBOTVFQQT-UDWIEESQSA-N 451.353 6.735 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12 408801411 SWSAXWXYDRRRER-CJLVFECKSA-N 452.941 6.926 50 40 JKGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408817698 WEIXEEVCYSCGHX-FLYOJIJBSA-N 471.370 5.769 50 40 JKGB C#CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 408825163 ALOJMCXBWJGDEO-XSFVSMFZSA-N 477.347 6.130 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2ccccc2C)cc1 408834376 YIJJZMBGIZDGMS-UHFFFAOYSA-N 469.651 5.207 50 40 JKGB O=C(NNC(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1)c1ccc(Cl)cc1 408846078 QOSXIVQOQZBEGM-UHFFFAOYSA-N 484.364 5.535 50 40 JKGB Cc1ccc2nc(Sc3ccc(/C=C(/C#N)C(=O)NCCc4c[nH]c5ccccc45)o3)[nH]c2c1 408854664 AXFKINININFKQI-AQTBWJFISA-N 467.554 5.363 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1Cc1cccc(F)c1 408866648 HLYQOYQAVSSTBC-XDHOZWIPSA-N 483.768 6.687 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Cl)C(=O)Nc1ccccc1 408873479 UPNCMEUXLXNIOZ-CPNJWEJPSA-N 451.751 6.239 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Sc2cccc3cccnc23)o1 408993127 UREITRSASFDZSB-RPPGKUMJSA-N 472.353 5.815 50 40 JKGB Cc1ccc(C(=O)Nc2ccccc2SSc2ccccc2NC(=O)c2ccc(C)cc2)cc1 409247769 BBSYKBFSDNBQAL-UHFFFAOYSA-N 484.646 7.607 50 40 JKGB O=C(N/N=C/c1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)o1)c1ccncc1 409274996 RVFSCOYAMNPLQA-UVHMKAGCSA-N 469.448 5.066 50 40 JKGB COc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1OC 1808338 AUZJLOJCLPFCBU-SQMRXINWSA-N 475.928 6.049 50 40 JKGB CC(C)(C)c1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(O)c(C(C)(C)C)c1 2267795 XDUHEYNSVPUQIJ-BIZUNTBRSA-N 479.624 6.966 50 40 JKGB N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2311710 TXBRBMYFUFTBRY-OGCOBRASSA-N 488.012 5.125 50 40 JKGB COc1cc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC3=C2C(=O)CCC3)ccc1O 2340239 SGLUIYAWCXTSQE-QFIPXVFZSA-N 452.963 5.417 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3cccc(C)c3)N(c3ccccc3)C2=O)cc1 2363705 STIFKEYWQFARPY-NLTRVXJZSA-N 453.567 5.368 50 40 JKGB Cc1ccc(C(=O)NC(C#N)=C(Sc2ccc(Cl)cc2)Sc2ccc(Cl)cc2)cc1 3012956 PTSQBMFHAKCUBO-UHFFFAOYSA-N 471.434 7.309 50 40 JKGB O=C(NNC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1)c1ccc(Cl)cc1 3416971 BVQVLDUUEYDCFP-UHFFFAOYSA-N 471.365 6.107 50 40 JKGB COc1cc(/C=C(\C#N)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1Cl 4196230 QTOIEOXGGWLNCV-GIJQJNRQSA-N 489.196 7.408 50 40 JKGB COc1ccc(C2=CCN(c3ccc(C)cc3)[P@](=O)(N(CCCl)CCCl)O2)cc1 5461884 OARGNGAFOUYKAW-LJAQVGFWSA-N 455.322 5.769 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)ccc1OC(=O)c1ccccc1 8569242 OZANVJKSRHTCEO-DEOSSOPVSA-N 492.535 5.221 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21)c1ccccc1 8836361 RKXVPAYQXPNCKS-FJLSXJCYSA-N 476.580 5.286 50 40 JKGB COc1ccc(C(=O)N/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 9185452 VITTZIIAFNWYID-HIQWWTPOSA-N 474.564 5.815 50 40 JKGB N#C/C(=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21)c1nc2ccccc2[nH]1 15225962 SKVMFENZKBGGFR-VYIQYICTSA-N 452.517 6.133 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 20197939 ADDDMAVKXFTWIU-RWPZCVJISA-N 487.383 6.134 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 20764818 PNWYMWMZIMFKPI-JFLMPSFJSA-N 497.935 5.389 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc(OC)c1OC(C)=O 31906010 OERQBYWKXIFQBW-NHDPSOOVSA-N 462.571 6.015 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(F)c(Cl)c1 35374912 UYPNBFPVSVFROR-QNGOZBTKSA-N 462.956 5.142 50 40 JKGB N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 59333210 QQOWZOHWKHJVQE-MEFGMAGPSA-N 496.614 6.099 50 40 JKGB COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 59336049 GTNVAOVTGPYEKN-YHYXMXQVSA-N 471.094 5.218 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccccc1F 59536100 NSNFBKFVXOMOTI-XDHOZWIPSA-N 450.897 6.002 50 40 JKGB C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)c1ccc(Br)cc1 101544314 SXIDWJBEPRGXPC-JVWAILMASA-N 465.351 5.327 50 40 JKGB CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](C)Cl)CC[C@]4(C)[C@H]3CC[C@]12C 118918044 AAEWZCYGFQHOQA-XRAKKWNUSA-N 477.173 8.855 50 40 JKGB O=C(OCCCCCl)[C@@H]1CC[C@H]2[C@H](C1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 254309587 QNGXUOGPVMCDDM-FNIQBYOTSA-N 489.481 6.427 50 40 JKGB COc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1Cl 408531549 OLRGHQHEHAPFIW-VVEOGCPPSA-N 491.897 5.509 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(C(C)(C)C)cc3)c2C)c1 408587729 GUUMXMBQLOUWLU-RDRPBHBLSA-N 459.590 5.261 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c(C)n1-c1cccc(Br)c1 408600002 QOBLCWGZZIFTME-CVKSISIWSA-N 452.396 5.918 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(OC)c1OCc1ccccc1 408745522 NFHPBUKIIGCQIF-KQWNVCNZSA-N 454.526 5.557 50 40 JKGB COC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)o2)c1C 408753405 MOYMVMQJGYGJDB-PTNGSMBKSA-N 465.303 5.350 50 40 JKGB COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 408795160 URQDPVCGZIGPPU-VZUCSPMQSA-N 470.548 5.419 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1F 408816138 KOUFHQPZWLCCNN-BOPFTXTBSA-N 496.292 5.621 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1Cc1cccc(F)c1 408864995 BMQOSCBTASHINT-VXLYETTFSA-N 483.370 6.976 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1Cc1ccccc1Br 408865545 DBGFACYHVUGJRG-LICLKQGHSA-N 499.767 6.387 50 40 JKGB COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 408871338 YKSOLKCTVWUFSY-YBFXNURJSA-N 463.331 5.582 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Cc1cccc(F)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408873240 PGVMCIHSECQSCY-KOEQRZSOSA-N 496.969 7.195 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 408876924 RAKWBJWZGJHMGG-BYNJWEBRSA-N 491.657 5.359 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(Br)c2)cc1 408882575 REFYEDHBFGGXLP-DEDYPNTBSA-N 479.349 6.123 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)c1C 409065800 UHNUENDRDKXWOG-LDADJPATSA-N 472.907 6.377 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Cl)c1OCc1ccccc1C#N 409131707 JOZYAKATNAVOPX-XMMPIXPASA-N 473.916 5.113 50 40 JKGB Cc1ccc(NC(=O)Cn2cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)c3ccccc32)cc1 409232973 JHTAYQCZQPOWKN-MOHJPFBDSA-N 476.580 5.244 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1 409252796 DWNLSVMLLDUYMS-ZMFRSBBQSA-N 456.329 5.083 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)cc1 409267345 UYNCQJSVAHVBBM-MOSHPQCFSA-N 459.933 5.520 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 409272309 YBMQSHDRIPQWRJ-LDADJPATSA-N 463.896 5.351 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(Br)c1OCc1ccccc1 409364101 NBAKIJAJKYCDRZ-OCKHKDLRSA-N 464.315 5.830 50 40 JKGB N#C/C(=C\c1cn(CC(=O)NCc2ccco2)c2ccccc12)C(=O)Nc1ccc2ccccc2c1 6475521 WUTHGDPTQANZCV-HYARGMPZSA-N 474.520 5.250 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccccc1OC(=O)c1cccc2ccccc12 12590212 OGVLYSGDSHCBGM-LTGZKZEYSA-N 477.476 5.821 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)c1cc(C)c(C)cc1C 15982168 PASZDQAYGVQLFM-HYARGMPZSA-N 460.574 5.238 50 40 JKGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)[C@]1(C)CC[C@H](c2nc3ccccc3[nH]2)C1(C)C 22747080 RSKPKTQRNONGQM-PMYMXCQYSA-N 489.023 5.771 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)c(C)n1-c1cccc(Br)c1 28216006 BUCQBXXEIUVTEP-BRJLIKDPSA-N 490.854 5.894 50 40 JKGB CCCCc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 33763659 BXKZDUUCPLYYIL-MWLSYYOVSA-N 498.410 6.117 50 40 JKGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c1 58912690 AZODYEBAXRPPRG-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB CC1(C)[C@H]2CC[C@@]1(C)/C(=N\NC(=O)c1cc3n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N3)C2 103675734 FBMLHCJNVNTSAR-MZHKOTPXSA-N 477.506 5.615 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cc2cc([N+](=O)[O-])ccc2s1 107932709 GFYFGLWWNVOJKB-ZMOGYAJESA-N 476.470 5.061 50 40 JKGB O=C(O)c1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1 408678479 ZRWRZPXGCGSDDY-ZCTHSVRISA-N 493.563 5.481 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c(Cl)c1 408742210 VBIZQNHUSMAFHI-XODNFHPESA-N 486.786 7.078 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2Cl)cc1 408791788 CLPOOLRRBDBKSA-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1 408797320 RDBXIGZDMHTFTQ-YBFXNURJSA-N 467.352 6.517 50 40 JKGB C[C@@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1 408798295 VQQDVPDXNSILMI-ALDSOSFCSA-N 459.933 5.142 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OC(C)C 408807750 OPFLZKZSUDVMGG-OQLLNIDSSA-N 463.759 5.834 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)c(OC)c1 408872740 PLVCBSLGDRUXOB-FYJGNVAPSA-N 462.933 5.160 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)cc2)cc1Cl 408878523 AEMDGKSGDIYQEX-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OCc1ccccc1 408884586 XPVGHAJUGKATOJ-UDWIEESQSA-N 481.379 6.825 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1c(Cl)cccc1Cl 408888318 YZTDWYZBEPEBSO-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cccc(Br)c2)c1OCc1cccc2ccccc12 408893347 MLYYQIYTVLMNOO-LQKURTRISA-N 489.369 5.954 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(OS(=O)(=O)c2ccc(C)cc2)c1 408900655 XGBCADZXCSPCGM-CPNJWEJPSA-N 496.972 5.279 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)c(C)c1 409048251 SBIIIBYWFPHGFO-DJKKODMXSA-N 485.798 7.388 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)c(C)n1-c1ccc(Br)cc1 409070898 NOIIDMJEWHXEQI-KSEXSDGBSA-N 491.183 5.089 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1C#N 409142258 XFXYUXXVGAYSSC-QHCPKHFHSA-N 475.932 5.004 50 40 JKGB Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)c1 409219283 PCYKGPPYECYJRH-UHFFFAOYSA-N 477.520 5.230 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1 409267913 PXWWVZXLULYPLO-CJLVFECKSA-N 469.541 5.265 50 40 JKGB COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OCc1cccc2ccccc12 409390581 FLYGKYAWWRWNEZ-HNSNBQBZSA-N 489.575 6.143 50 40 JKGB CC(C)(C)c1ccc(Oc2coc3cc(OC(=O)/C(C#N)=C/c4ccccc4)ccc3c2=O)cc1 1777152 CFONYBBRBFGQAS-HMMYKYKNSA-N 465.505 6.395 50 40 JKGB CC(C)Oc1ccc([C@H](CCN(Cc2ccc(N(C)C)cc2)C(=O)CCl)c2ccccc2)cc1 1795587 FRYFEHAKTZZMLQ-MUUNZHRXSA-N 479.064 6.329 50 40 JKGB biogenic Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCc3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 1887720 AMPNWXBBLXGXLE-UZEPBSNMSA-N 467.594 5.046 50 40 JKGB O=C(N/N=C/c1ccc(Br)s1)c1ccccc1OCc1cccc(Br)c1 2185048 ULGJYBSTTSNTMZ-SSDVNMTOSA-N 494.208 5.616 50 40 JKGB Cc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N=C(O)[C@@H]1C#N 2293852 YZGIBELLBWJFLI-XLIONFOSSA-N 481.375 5.058 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)cc1Cl 2383135 YDWAOIDBWICRFF-GOHCDNDPSA-N 488.012 6.022 50 40 JKGB Cn1c(SCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1cccc(Cl)c1 2394227 KQRFWYVXPRXFRZ-CVKSISIWSA-N 477.977 5.170 50 40 JKGB N#CC(C(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1)=C1Nc2ccccc2N1 3368901 QMGVXFGTTKAOLN-UHFFFAOYSA-N 465.947 5.539 50 40 JKGB O=C(N/N=C/c1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)o1)c1ccccc1O 3667468 LYJCOJYRXHSNPB-WPWMEQJKSA-N 481.537 5.148 50 40 JKGB CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccccc1F)=C(C#N)[C@H]2c1ccc(Cl)cc1 9013018 OVXFSFRWZALDTM-HSZRJFAPSA-N 496.007 5.916 50 40 JKGB N#C/C(=C\c1ccc(-c2ccccc2Br)o1)c1nc2ncc(Br)cc2[nH]1 9805812 VBDFDLBFABPOGI-YRNVUSSQSA-N 470.124 5.807 50 40 JKGB Cn1c(C(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cc2cc(Oc3ccccc3)ccc21 9850930 XJRYQISWLCTTBL-UHFFFAOYSA-N 453.420 5.064 50 40 JKGB CCN(CC)c1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1 13068282 WYIUHFPWGILZHO-OGLMXYFKSA-N 479.964 5.178 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 13943670 JGZYVEPCNQRERQ-UXHLAJHPSA-N 470.956 6.115 50 40 JKGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1cccc(OC(=O)c3ccccc3Cl)c1)CO2 30696704 LATXTMYUKODGOA-XACFZUKVSA-N 492.959 5.147 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 33541962 RDUUTICIJGKSBB-WKULSOCRSA-N 479.363 6.498 50 40 JKGB Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c3ccccc32)c1 59332917 CBONGNSVZIZKBK-PLRJNAJWSA-N 460.581 5.254 50 40 JKGB CCOc1ccc2c(c1)C1=C(SS/C1=C\c1c3ccccc3nc3ccccc13)C(C)(C)N2 101452449 WNBGVVLKOYYLIT-XYGWBWBKSA-N 468.647 8.138 50 40 JKGB O=C(Cc1ccc(Cl)cc1)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21 101661308 YZCAYIVTTPPSSS-URGPHPNLSA-N 453.929 5.103 50 40 JKGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C)cc3)C3=C(O)CCCC3=N2)cc1 102588830 SAZHAFPXQGUJQR-VWLOTQADSA-N 457.599 6.199 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2c(OCc3ccccc3C#N)ccc3ccccc23)cc1 216067179 RSVVOROWNQMSMD-ZCTHSVRISA-N 463.537 5.843 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408581938 JUFPQIGYZLLZJP-SRZZPIQSSA-N 493.943 6.097 50 40 JKGB CCc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)CC2=O)cc1 408610951 VFKLMNKABILZDS-LJQANCHMSA-N 498.410 5.631 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)NCc1ccccc1 408747815 UDWGQFXVSIKBPK-PDGQHHTCSA-N 467.403 5.629 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 408760052 QRHCEDBDCOXLKI-YVLHZVERSA-N 465.307 5.311 50 40 JKGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC 408789844 RZIWOVSBDRAOGI-RIYZIHGNSA-N 494.172 5.712 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)Nc2ccc(C)cc2)c1Cl 408809775 HZVNEXZVDYXROL-BRJLIKDPSA-N 475.332 5.971 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccccc2)c2ccccc12 408813294 MVILLTGPNLCZTH-XSFVSMFZSA-N 455.945 6.206 50 40 JKGB CCc1ccccc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(=O)(=O)c1ccccc1 408840348 FDCJKVDRSLKNHE-UHFFFAOYSA-N 469.651 5.153 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3ccccc3C(=O)O)o2)cc1 408845313 LWMXJCSTUDNVTK-DXJNIWACSA-N 489.531 6.175 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)c(OCC)c2)cc1 408898608 XJSMHRPILHOFCV-PCLIKHOPSA-N 498.579 6.004 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(Sc2nc3ccccc3s2)o1)c1ccccc1 408987118 ALCVSMZPZILSNF-QVWJKXSPSA-N 494.598 5.368 50 40 JKGB COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)ccc1OCc1ccc2ccccc2c1 409022104 FAWDNCITIANNCW-CAQPMQTCSA-N 491.547 5.505 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCc3cccc4ccccc34)cc2c1 409187546 RSPXLQSCUUCJBE-YKQZZPSBSA-N 464.521 6.328 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4cccc5ccccc45)c(OC)c3)[nH]c2c1 409391437 JINAQOVIVKNKSJ-HMAPJEAMSA-N 461.521 6.376 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3)C(=O)N2c2ccc(C)cc2)cc1 935031 SMEQWGHPQWTGQW-FYAMCCBRSA-N 453.567 5.368 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)c1cc2c(ccc3ccccc32)o1 2162367 BWSJGKNJYQEPQZ-UVHMKAGCSA-N 493.744 7.026 50 40 JKGB CCCCCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1 2570592 JTEVMXZURCJHTD-UHFFFAOYSA-N 481.373 5.738 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(N)=C(C#N)[C@@H]2c1ccc(F)cc1 3666083 XTYURHJBDKVJQH-QHCPKHFHSA-N 472.589 5.579 50 40 JKGB CC(C)CN(Cc1cccs1)C(=S)SSC(=S)N(Cc1cccs1)CC(C)C 6134712 OZZKUIPAMPRSOC-UHFFFAOYSA-N 488.860 7.377 50 40 JKGB N#C/C(=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)S(=O)(=O)c1ccccc1 6162801 JVAWBGIHMYVMIW-RMNLPTLGSA-N 489.600 6.381 50 40 JKGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 8717774 VGWIQMDQZYYGSL-FBKQIBBUSA-N 491.794 5.092 50 40 JKGB C=CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)c(C(=O)OCC)c1C 9424337 BRIHPGGZGIFSIR-LGMDPLHJSA-N 479.583 5.676 50 40 JKGB O=C(N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1OCc1ccc(F)cc1 12565293 WWLRJTHCCVBCKL-FDAWAROLSA-N 463.512 6.317 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 14151707 AGIGUSWNQNRQLX-UKTHLTGXSA-N 468.365 6.611 50 40 JKGB O=C(N/N=C\c1cn(Cc2ccccc2)c2ccccc12)c1ccc(OC(F)(F)C(F)F)cc1 32565539 OGBHNKLDFOWGNC-CPDSRJINSA-N 469.438 5.690 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1 59296962 OBQYCLYRCCGTFC-NDENLUEZSA-N 495.804 6.844 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 59334626 VFRFKCMDJBQXTK-CHHVJCJISA-N 453.753 5.620 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc2ccccc2c1 59334678 YQQFDARAMKGADA-MTJSOVHGSA-N 479.374 5.575 50 40 JKGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 59336457 MTSWXZNXZJIZKD-ZROIWOOFSA-N 494.172 5.712 50 40 JKGB O=P(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 100115788 BXXYQIADDPAMGV-UHFFFAOYSA-N 477.484 6.093 50 40 JKGB ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@@H]4C[C@H](I)[C@@H](C4)[C@H]3[C@@]1(Cl)C2(Cl)Cl 103903024 NLGITZRGNAIORZ-BSSQEQABSA-N 492.826 5.908 50 40 JKGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(C)cc2)c1 107609604 BJIYMKXWFOCXEL-VULFUBBASA-N 480.362 5.059 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1 109030814 SHVDJCQZTHOPPM-QGOAFFKASA-N 493.922 5.441 50 40 JKGB C/C(CCc1ccccc1)=N\NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 211040620 BYFGGDQADXTDFK-ZXVVBBHZSA-N 484.021 5.045 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@@H]1[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]12 238937383 UYDDPTCNFUMGFE-XFBWMNOSSA-N 485.562 6.572 50 40 JKGB CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 408711879 ORECKXHQJMZXSD-MBTHVWNTSA-N 487.383 5.673 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 408726381 RDMYYWFHBGHHMV-MFOYZWKCSA-N 487.770 6.780 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)N1CCN(c2ccccc2)CC1 408783636 OACMRILOZAPIBG-NKFKGCMQSA-N 457.961 5.175 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408790094 NLLZACPHLZQMSU-YBFXNURJSA-N 485.798 7.334 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(=O)c1cccc(F)c1 408890140 ONRHUEXZDABOSN-CXUHLZMHSA-N 495.850 5.161 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1cccc(F)c1 409066991 OLJGXHZOKUTZNF-OEAKJJBVSA-N 458.489 6.504 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OCc1cccc(F)c1 409069371 IRILTNHZFMJCSI-CIAFOILYSA-N 476.935 6.341 50 40 JKGB COc1cccc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c1OCc1ccc(C(=O)O)cc1 409186398 BOJAQXJODFXCMJ-WQRHYEAKSA-N 454.309 6.343 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1ccc(Cl)cc1 409221214 MSELJJJWLOBVEN-UYRXBGFRSA-N 493.916 7.216 50 40 JKGB O=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 409223169 FIRLVGULSMKHBB-UHFFFAOYSA-N 495.379 5.051 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1 409239780 FDDFZTFCAMIGGR-PKIWBCANSA-N 474.391 6.781 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1cccc(C)c1C 409266816 ROJHBMFOTOLEAS-IWIPYMOSSA-N 497.595 5.882 50 40 JKGB Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 409268263 YRMAGOYZTWJUSL-WQRHYEAKSA-N 490.903 5.120 50 40 JKGB O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@H](Br)CBr 575359119 QUSYOJHRUUVKFB-HXUWFJFHSA-N 459.181 6.498 50 40 JKGB CC(C)(C)c1ccc(OCCn2cc(/C=C(\C#N)C(=O)NCc3ccco3)c3ccccc32)cc1 1835371 DMDWQYHSEZUNTH-HEHNFIMWSA-N 467.569 5.834 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3C)n2-c2ccc(C)cc2)cc1 2322554 VRWQCTIZHYQYGW-JVWAILMASA-N 455.587 5.102 50 40 JKGB N#C/C(=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2727006 QFRZQMMYVOLNOQ-LICLKQGHSA-N 495.888 6.965 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSCc2ccccc2C)ccc1OCc1ccc(Cl)cc1 3089314 FYMCKGKQOPWZOH-RWPZCVJISA-N 483.033 6.010 50 40 JKGB CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccc(Cl)cc1)=C(C#N)[C@H]2c1ccco1 12250249 MQGWBEAIMANUAQ-NRFANRHFSA-N 467.978 5.370 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccccc1 12468063 RRNLLMBPOLHIOY-IMRQLAEWSA-N 476.005 5.529 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccc(Br)cc12)C(=O)NC[C@@H]1CCCO1 59087127 NZRQLNJBJWPXPJ-YZILGEIOSA-N 498.808 5.308 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 59224669 LDJKBCLCKORFJX-LDADJPATSA-N 456.851 6.483 50 40 JKGB C/C(=N\NC(=O)CCSc1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1 59383070 DGUSDIIWLMPIIW-WPWMEQJKSA-N 451.979 5.615 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OCc1cccc2ccccc12 59447399 XAQMWXMVVHDJAK-RDRPBHBLSA-N 454.526 5.590 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1 59536451 RHDMGNPELCQOSL-CPNJWEJPSA-N 466.946 5.270 50 40 JKGB C/C(=N/NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 96399191 WWQVBLAEIUBBJZ-YSMPRRRNSA-N 469.954 5.101 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(N3CCCCCC3)o2)c(C(=O)OCC)c1C 408546305 GGNLCNDBVONROY-NBVRZTHBSA-N 498.601 5.102 50 40 JKGB CCCOc1c(I)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OC 408580887 SIGCPZVNGYFZPC-NTUHNPAUSA-N 488.152 6.460 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3)n2)c1O 408725498 QFVMHBPDYKWZAU-RDRPBHBLSA-N 462.509 5.171 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)c(Br)c2)c1 408744725 GVTGAIXEKPOSQO-MTJSOVHGSA-N 472.342 5.754 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Br)o2)cc1 408763955 HATNMRZUBBGFTA-GHRIWEEISA-N 465.303 5.431 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC(C)C)c2)c(C)n1-c1ccc(Br)cc1 408779111 RJMJGLPKTFADBB-DEDYPNTBSA-N 478.390 6.190 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1 408795148 URDUETFHRYRLPB-XDHOZWIPSA-N 462.889 5.171 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Cl)c2)cc1 408796475 OXRYZHUGJBYGLY-DEDYPNTBSA-N 478.907 5.780 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1c(C)ccc2ccccc12 408808539 QBJCPBZPVSTVQG-NLRVBDNBSA-N 490.603 7.234 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)cc1 408888044 SDSNPHSYMNXAGO-GZTJUZNOSA-N 467.308 5.767 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1OCc1ccccc1Br 408888421 ZSPDYCQPHCOSTA-KGENOOAVSA-N 491.385 6.145 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1cc(C)cc(C)c1 408890338 RPHXNJZGRAAUOJ-MFKUBSTISA-N 454.570 6.444 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1Cl 409052591 IPSWCUCUHMVZJT-LUOAPIJWSA-N 482.194 6.952 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OC)c1OCc1ccccc1F 409067141 PGSNVBIPBOACEC-BUVRLJJBSA-N 456.517 5.365 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1F 409070066 MVUPWQRWBMSRID-XQNSMLJCSA-N 486.543 6.086 50 40 JKGB N#C/C(=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1 409077760 FTBAOAQSTPHVSW-RVDMUPIBSA-N 471.366 6.091 50 40 JKGB Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 409212232 QFFBUWNSISVKQC-JFLMPSFJSA-N 454.039 6.287 50 40 JKGB COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1 409224764 MLPPCBFANSKPEI-RUDTZHBPSA-N 469.324 5.385 50 40 JKGB O=C(c1ccc([N+](=O)[O-])cc1)[C@H](Br)[C@@H](Br)c1ccnc2ccccc12 1754511 OVEVOPGYRGCOMR-DLBZAZTESA-N 464.113 5.225 50 40 JKGB in-vitro COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 2166025 JNUAUHDDZWCOIE-NDZAJKAJSA-N 479.536 5.290 50 40 JKGB CC(C)Oc1ccc(CN(CC[C@@H](c2ccccc2)c2ccc(OC(C)C)cc2)C(=O)CCl)cc1 9237513 PQBJVQIGJQEGAF-LJAQVGFWSA-N 494.075 7.051 50 40 JKGB biogenic O=C(N/N=C/c1ccc(OCc2ccc(I)cc2)cc1)c1cc2ccccc2o1 9259099 BULXGUXKWLIPJK-AFUMVMLFSA-N 496.304 5.380 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3c(=O)[nH]2)cc1Cl 9462920 HYPSVRZTEBWLKO-XMHGGMMESA-N 493.954 5.892 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C)NC3=C2C(=O)CC(C)(C)C3)cc1 13174327 IAZBTHHEQGNXNU-VWLOTQADSA-N 487.625 5.441 50 40 JKGB O=C(CSc1cccc2ccccc12)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 16545071 OIHCOMJPGWJXAX-WKULSOCRSA-N 495.431 6.968 50 40 JKGB CCOc1ccc([C@H]2C(C#N)=C3Sc4ccccc4N3C(N)=C2c2nc3ccccc3s2)cc1 16739766 SIHLRKMBHJWWJM-QHCPKHFHSA-N 480.618 6.467 50 40 JKGB C/C(=N\NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 19949202 IPWDSTTUQCDWPZ-YZSQISJMSA-N 490.412 5.038 50 40 JKGB Cc1cc(C(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccnc2)c(C)n1-c1ccccc1F 34772649 XZXSPCJCJJEAKM-KQWNVCNZSA-N 487.538 6.271 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 35128630 UPEIUDPXOFCPLZ-UVHMKAGCSA-N 486.355 5.303 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccccc1 59117417 FJKUDZGOFJGXOY-WQRHYEAKSA-N 453.325 6.127 50 40 JKGB O=C(N/N=C/c1cccc(Br)c1)c1ccc(CSc2ccc(Cl)cc2)cc1 59473562 SGFUERSBBGBLSR-ZMOGYAJESA-N 459.796 6.159 50 40 JKGB C/C(=N\NC(=O)CSCc1cc(C)cc(C)c1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 59473591 ICLLPHIGMURPQC-VUTHCHCSSA-N 480.033 5.983 50 40 JKGB COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)C3=C(O)CCCC3=N2)c1 100703113 QVFVEPJYXFYFOV-XMMPIXPASA-N 459.571 5.645 50 40 JKGB CCOC(=O)/C(C#N)=C\c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 105907961 KCXGXWQWDOHTBI-LVWGJNHUSA-N 476.516 5.966 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Cl)c1OCc1ccc(C)cc1 107550898 CABJQEVCGSTYEE-MTJSOVHGSA-N 457.961 6.875 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)c(OC)c1 138453797 SJNSONYQKCCMCS-VCHYOVAHSA-N 466.896 5.621 50 40 JKGB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](Br)CC[C@]4(C)[C@H]3CC[C@]12C 257348488 GCLRJMLUSNRQMO-BRKVWLPFSA-N 451.577 8.871 50 40 JKGB Cc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Br)c2)cc1 408579634 IWQLUFGYYWWKCW-XDHOZWIPSA-N 481.777 6.493 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1OC 408581892 ZTBKXIMCNCVONY-RGVLZGJSSA-N 480.358 6.118 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2-c2ccc3ccccc3c2)c1 408724031 CPHVFOMFZXBZHT-KBVAKVRCSA-N 499.401 7.072 50 40 JKGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1 408771314 GYBZWJLHSXQISM-NHDPSOOVSA-N 496.348 5.455 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 408788576 DPUDCBOMTBTCPH-XSFVSMFZSA-N 491.341 5.360 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408793928 QXEDQNZWVHZPAK-YBFXNURJSA-N 477.904 5.690 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OC)c1OCc1ccc(F)cc1 408820869 ZYXOFAOQAHJLNI-IWIPYMOSSA-N 486.543 5.374 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 408848101 OWQLUMCHDHNKHT-RHANQZHGSA-N 499.523 5.811 50 40 JKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Br)cc3)c(C)c2)c1 408851857 ATURQWSUTXHJRL-OEAKJJBVSA-N 489.413 6.807 50 40 JKGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 408873113 NAPQKPVUAFZODR-NELWTUKVSA-N 454.401 6.273 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccccc1C 408927055 ZJKFEYTTZYUDLZ-KKMKTNMSSA-N 477.775 6.307 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1OCc1ccc(Cl)cc1 409067560 RHFRLAXWQSLIOT-KGENOOAVSA-N 476.935 6.341 50 40 JKGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)o2)ccc1Cl 409149616 LHGLXETWNPILHP-OPEKNORGSA-N 465.720 5.847 50 40 JKGB O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cccc(I)c1 409231932 GERPIFRXIXVEGN-WGARJPEWSA-N 497.311 5.197 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2)c1 409253030 VQUXAYWNLRWVED-WKIKZPBSSA-N 470.356 5.392 50 40 JKGB C#CCOc1c(Cl)cc(/C=C(/C#N)c2ccc(I)cc2)cc1OCC 409374265 ZNZPPWNZISQXHT-YBEGLDIGSA-N 463.702 5.419 50 40 JKGB Cc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccccc1Br 650717 XBNCIQIGXJAYEC-NRFANRHFSA-N 499.430 5.849 50 40 JKGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OCC 1932485 QEDILIGGWHFXEY-XMHGGMMESA-N 495.000 6.580 50 40 JKGB CCOP(=S)(OCC)Oc1cc(CSCC)nc(-c2ccc(C(F)(F)F)cc2)n1 2555978 NYZNHGHLFSYJQQ-UHFFFAOYSA-N 466.487 6.092 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(SC(F)F)cc2)o1)C(=O)N/N=C/c1ccccc1Cl 2669588 SDYDWDFINGVSEC-DWDXQHJYSA-N 457.889 5.972 50 40 JKGB Cc1ccc(S(=O)(=O)N[C@H](c2cccs2)P(=O)(c2ccccc2)c2ccccc2)cc1 3214921 GTRWMAFNGAQUGM-DEOSSOPVSA-N 467.552 5.048 50 40 JKGB CC(/C=N/NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)=C\c1ccccc1 9272442 LJHAETJSTOPXET-CYYVMCAHSA-N 475.064 5.781 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(SCc2ccccc2)N1 13018455 SQSCUINWAVXDHT-RUZDIDTESA-N 482.565 5.863 50 40 JKGB N#CC1=C2SCN(C3CCCCC3)CN2C(=O)C[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 20348308 LCILILJBZORXFS-XMMPIXPASA-N 494.060 6.267 50 40 JKGB COc1cc(/C=N\NC(=O)[C@@H](C)Oc2ccccc2)ccc1OCc1cccc2ccccc12 32114688 VNESBUPXJQHFPC-ZDKKOKEMSA-N 454.526 5.345 50 40 JKGB O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C\c1ccc(OC(=O)c2ccccc2)cc1 33155117 HEJBSUXWHCLPGQ-YUMHPJSZSA-N 471.340 5.522 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 33247209 HJBKCGCZXNCKJI-ODLFYWEKSA-N 478.379 7.220 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(OCC)c1OCc1ccc(F)cc1 33653568 PAVPMHLHWFPIDL-HAHDFKILSA-N 467.544 6.781 50 40 JKGB CC1(CC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SCCS1 33793969 BXNLOFHBSUVEGC-FSJBWODESA-N 455.432 5.609 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccc(F)cc1 34914178 WLTLBJFNZQVGEA-WQRHYEAKSA-N 470.313 6.769 50 40 JKGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 58913523 IUGXESQYXQSDMD-KBKYJPHKSA-N 493.778 5.152 50 40 JKGB C/C(=N\NC(=O)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31)c1ccc(F)cc1 61963742 JJRLVVICGUGEEQ-AWLRXGSOSA-N 486.635 6.062 50 40 JKGB CCOCCCNC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 97990538 IVDYKBVFQBAQOO-ITYLOYPMSA-N 470.569 5.294 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 109026097 YRVFKZQECFSYPE-GRSHGNNSSA-N 454.309 6.343 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(OC)c3)c3ccccc32)c1 207047580 FECSVSHFQZTEOA-STZFKDTASA-N 465.509 5.030 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 408542276 KHGSYFACIJXBBQ-QNGOZBTKSA-N 466.468 5.802 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1nc2ccc(F)cc2[nH]1 408570325 UCGGENFWIGPHGJ-CHHVJCJISA-N 483.286 6.560 50 40 JKGB COc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)ccc1OCc1ccccc1 408719955 QHRDQIUIRMOMTG-VULFUBBASA-N 454.979 5.311 50 40 JKGB CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OC 408725510 KXGCIBYRXFNINL-YVLHZVERSA-N 490.341 5.251 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(Cl)c1 408742344 WDVKUBSKNFLMCD-UVHMKAGCSA-N 497.338 6.333 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OCc3ccccc3F)cc2)c1C 408742592 BEVGWIURZQKRCS-UQQQWYQISA-N 479.555 6.666 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 408758976 VVTQNPUBFMDTNU-CPNJWEJPSA-N 496.972 5.361 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(Br)c1OC 408763298 MOYVWHRKJXIMIA-VCHYOVAHSA-N 451.320 5.555 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408765627 ZBVACLOMBXBLGX-AUEPDCJTSA-N 462.383 6.106 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)cc1 408781244 AYGGYJLYMNKFLE-QJOMJCCJSA-N 487.987 5.183 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCC(=O)O 408799444 ZIBCRVHNIZMJLP-LFYBBSHMSA-N 469.708 5.055 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1ccc(Br)cc1 408806440 JFUJNZDQOYPDFP-IOQNOCSLSA-N 497.433 6.029 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)cc2)cc1Cl 408814376 ZCUXXBXHAFDWCZ-HZHRSRAPSA-N 466.968 7.235 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 408829989 QRSRUUVXZMDSER-INKHBPHZSA-N 481.684 6.615 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1Cc1cc(C)cc(C)c1 408877284 UEIYZTXWPRZWPO-LPYMAVHISA-N 489.413 6.601 50 40 JKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1 408882793 SGGRYVUFBIGENA-FOWTUZBSSA-N 492.211 6.245 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cc(C)cc(C)c2)c(Br)c1 408892593 CVENRRARWDBKJI-OEAKJJBVSA-N 489.413 6.753 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 409014162 FXRGPRKGTSSPSA-NUJZUDFISA-N 480.351 5.650 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2ccc(F)cc2)c(Br)c1)OCO3 409099869 MGLMLSOEJIZVMM-HSZRJFAPSA-N 495.304 5.114 50 40 JKGB O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2Br)cc1 409196007 YFNSTPBPXHEGKT-BRJLIKDPSA-N 487.737 5.144 50 40 JKGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)c1C 409209644 CZYWNMAGIOYPHS-LGJNPRDNSA-N 469.994 5.085 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)NC(=O)C[C@H]1c1ccccc1 409322502 KCWHSKDKCOWKIA-AWEZNQCLSA-N 465.884 5.069 50 40 JKGB COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 409360625 QRFDPUDQZFPAAS-KVSWJAHQSA-N 476.335 5.282 50 40 JKGB CC[C@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3ccc(OCC(C)C)cc3)c3ccccc3n2)cc1 2109411 SLMYABQFSNCART-ANRZLXOVSA-N 479.624 7.214 50 40 JKGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2c(C)cccc2C)NC2=C1C(=O)CCC2 2312673 QSVDKVYFNMXEQL-VWLOTQADSA-N 487.625 5.503 50 40 JKGB Cc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)c(C)n1-c1cc(Cl)cc(Cl)c1 2801198 ITQPNEGLAONVSG-OPEKNORGSA-N 473.385 5.785 50 40 JKGB N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 6148472 PYCBKRBIISYLLU-XNTDXEJSSA-N 458.768 5.695 50 40 JKGB Cc1ccc(C(C)C)c(OCCOc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2)c1 8842886 AVSFEYUYVHPNBD-OGLMXYFKSA-N 495.417 6.103 50 40 JKGB N#CC(=C\c1ccc(-c2cccc(Cl)c2)o1)/C(O)=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F 9057489 KKTRNFFUAMMQDN-UKTHLTGXSA-N 461.783 6.722 50 40 JKGB O=C(N/N=C/c1c(F)c(F)c(F)c(F)c1F)c1ccc(CSc2nc3ccccc3[nH]2)cc1 9636053 CTIVJHIYVCMVTB-HIUVJMHLSA-N 476.430 5.315 50 40 JKGB CCOc1ccc(N2CSC3=C(C#N)[C@H](c4c(Cl)cccc4Cl)CC(=O)N3C2)cc1 9693562 ILNRARPMGKRFOD-MRXNPFEDSA-N 460.386 5.612 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(CC(C)(C)CC3=O)N2)c1C 13080565 FHJWGCILRMMESC-HSZRJFAPSA-N 477.655 5.802 50 40 JKGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cc(Br)ccc1O 14408635 NUWOSVNJPNBXOY-LSFURLLWSA-N 454.107 5.485 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@H]1c1cccs1 20025931 AVZUHQSKNISAPS-QHCPKHFHSA-N 479.627 5.162 50 40 JKGB Cc1ccc(CNC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 22534684 APDQNEMEMLLNOM-JCMHNJIXSA-N 452.945 5.725 50 40 JKGB CCOc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)ccc1OCc1ccccc1C#N 41120610 HOGRSNKGMYYWMV-FYJGNVAPSA-N 480.549 6.341 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl 58913043 SHADEHKKCFRHTR-OPEKNORGSA-N 463.752 5.143 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Cl)c(Cl)c1 59202214 CVVUTWUWJOGBMS-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 97610446 FBSQFGOCSJAOBZ-PDGQHHTCSA-N 453.325 6.127 50 40 JKGB C[C@H]([C@@H]1CCC[C@H]1P(C1CCCCC1)C1CCCCC1)P(c1ccccc1)c1ccccc1 202559160 YCLRKHVADAQIPR-SDDUWZMOSA-N 478.641 8.824 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c(C#N)c1C 408547438 WWQQDTSNVKKSST-RIYZIHGNSA-N 499.375 6.390 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Br)cc2)cc1 408583843 XMTIOERLUUYSEZ-XDHOZWIPSA-N 499.202 6.863 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2-c2cccc3ccccc23)cc1 408724105 FKCXSKLUBPJILW-RDRPBHBLSA-N 475.508 5.673 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 408746371 YRFHQJMMRBQQDO-HKWRFOASSA-N 476.418 6.700 50 40 JKGB C/C(CCc1ccccc1)=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 408780935 NQKBWQQRFDFUDA-VFCFBJKWSA-N 498.048 5.277 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 408790134 UBTBWOWXBSBJMY-VXLYETTFSA-N 467.352 6.435 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 408798760 WVIMTNJYQJVCJI-DEDYPNTBSA-N 495.804 6.790 50 40 JKGB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccc5c(c4)OCO5)cc3)sc2c1 408849599 ZLQCQLWVZZIUOP-KKMKTNMSSA-N 491.956 5.608 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccccc1F 408853022 KMYWGXOZIFLKOC-WKIKZPBSSA-N 497.320 5.686 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1Cc1ccccc1Cl 408873438 RGSQLHGECSRAHQ-CIAFOILYSA-N 479.407 7.145 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC(=O)c1cccc2ccccc12 408890945 ISCNJGXXMQAUEV-CJLVFECKSA-N 462.505 5.922 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1 408981557 VTQQJCHIHVXKHV-FOGHPNEFSA-N 474.344 5.581 50 40 JKGB Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1 409047721 QGMAGXJAFLNXBE-SRZZPIQSSA-N 451.353 6.104 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)c2C)sc(C)c1C 409197943 SIAAEOUNWOTOPU-CIAFOILYSA-N 461.587 5.722 50 40 JKGB Cc1ccccc1NC(=O)COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 409265299 RZCGIGCLSYYVGM-XDHOZWIPSA-N 479.458 5.577 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl 409267163 SSGRWRILZOVKRB-LDADJPATSA-N 480.351 5.865 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)ccc1OC 409335451 OAHRBYVHMAIQPR-VYYCAZPPSA-N 473.356 5.744 50 40 JKGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 409351005 WTIDOLCBCXHDSK-YSURURNPSA-N 467.150 5.578 50 40 JKGB Cc1cccc(N2C(N)=C(C#N)[C@H](c3ccc(Br)cc3)C3=C2CC(C)(C)CC3=O)c1 1022598 QBKASLNLFLEENG-QFIPXVFZSA-N 462.391 5.698 50 40 JKGB CCOc1ccc([C@H](NNC(=O)C(O)(c2cccc(C)c2)c2cccc(C)c2)c2cccc(C)c2)cc1 1813941 QFSAWNLPACPVPT-PMERELPUSA-N 494.635 5.657 50 40 JKGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 1915649 YXUDPCJFEGQRAF-CIAFOILYSA-N 474.365 5.919 50 40 JKGB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1 2670116 GYDANUNGUYTPKP-MHWRWJLKSA-N 481.917 5.699 50 40 JKGB C[C@@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 3167060 GGEPHDCFUUODEW-QZLBSSPJSA-N 474.560 6.490 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1cccc([N+](=O)[O-])c1 8921329 KMNFVFMXQVPZIK-AFUMVMLFSA-N 498.996 5.254 50 40 JKGB CC/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(OC(F)F)cc1 12542016 LMIONOORRICZLZ-XAYXJRQQSA-N 474.960 6.778 50 40 JKGB O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cc([N+](=O)[O-])ccc1O 15945821 RSCCVECUSDEKJS-MZJWZYIUSA-N 475.888 5.450 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccccc1 18039422 ZVWWDFLJJVEKOM-VULFUBBASA-N 471.326 5.330 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 20198063 JJQSAFXUHTXOBG-UXHLAJHPSA-N 472.972 6.625 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccccc1Br 20760394 WMSGCAPFQJKLAN-ZMOGYAJESA-N 488.179 5.555 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccc(Br)cc1 33667162 KMAMCWMNDMRVIW-WQRHYEAKSA-N 486.768 7.283 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 59248041 DOBWCPXUCGUAFY-FMQZQXMHSA-N 455.297 5.862 50 40 JKGB C[C@H](I)C[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95677029 BQEKWBVYUIERMQ-IUYQGCFVSA-N 454.017 5.235 50 40 JKGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(C=O)=C(n5cnc6ccccc65)[C@@]4(C)CC[C@@H]32)C1 95936523 BYOULNBXJIWWLD-RYMBKWAASA-N 458.602 5.951 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1 107539919 IIBPJOZQAFTSTQ-UYRXBGFRSA-N 459.571 5.587 50 40 JKGB CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\NNC(=O)CCc1ccccc1 408531406 NXOKNXCKURGRBF-DIBXZPPDSA-N 482.628 5.014 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1nc2ccc(F)cc2[nH]1 408568698 WEBQROQHPZYJRG-CHHVJCJISA-N 456.279 6.791 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(N2CCCC2)c2ccccc12 408569812 QCMOOVVGBIHAIX-WPWMEQJKSA-N 477.655 5.448 50 40 JKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 408599440 HHHMZRXMFSAONW-FJEPWZHXSA-N 478.423 7.058 50 40 JKGB COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@@H](OC)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 408751369 IGPKQQMDXJQILW-RFKWJHNESA-N 481.596 5.750 50 40 JKGB CC(C)(C)c1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(C(C)(C)C)c1O 408761689 KTBAAGIMGMIBBJ-YBEGLDIGSA-N 455.396 6.295 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1 408771306 GWIZNUOIYVOQEW-MOHJPFBDSA-N 454.574 5.039 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2ccc3ccccc3c2)c1Cl 408810515 KWEIDBDLCFLWCM-CCVNUDIWSA-N 496.350 6.424 50 40 JKGB O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 408821115 CQRSZJNCVCQAFN-JFLMPSFJSA-N 459.889 5.744 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)c1 408849504 WIFGCFNDEAKRLS-IWIPYMOSSA-N 480.568 5.018 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3Br)ccc3ccccc23)c1 408876647 MVWMIJUMGLHDPQ-HAVVHWLPSA-N 481.393 7.047 50 40 JKGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br 408881891 KWTLDAIPLQTFIA-RIYZIHGNSA-N 453.258 5.801 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc(Cl)c1 408897011 PROLCBGPHYSPHZ-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1 408979959 OXJDDDMOUSTYPM-FCFFNXBQSA-N 495.579 5.746 50 40 JKGB Cc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1sc2c(c1C#N)CCCC2 408996085 KWNWKDGSOUIJCH-PPDIBHTLSA-N 471.413 5.977 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1cccc(Br)c1 408998027 PYWLUVFUJFWQJE-WYMPLXKRSA-N 460.759 5.039 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)c3nc4ccccc4o3)cc2Cl)cc1 409047948 QCWDDHXAMQLTAD-MHWRWJLKSA-N 485.348 6.275 50 40 JKGB O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 409048183 QZJIQDRZSYDUNR-UVHMKAGCSA-N 481.339 5.597 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(F)cc1 409211759 MXVYMEQAXALYTI-ODLFYWEKSA-N 497.320 6.538 50 40 JKGB O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 409220092 UDZSSULEIQGFGJ-GATIEOLUSA-N 492.702 5.538 50 40 JKGB Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)c2)c1 409221917 BPEBGRHNPNSFQW-UHFFFAOYSA-N 477.520 5.230 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccccc1C#N 409240078 JMHVTSFLETVYRY-MYYYXRDXSA-N 499.998 5.845 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 409251915 AJXBGKZFQKGBJL-UDWIEESQSA-N 489.959 5.529 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc2c(c1)OCO2 409363413 LSEBFJRUDAURLE-NVMNQCDNSA-N 468.734 6.474 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)sc2c1CCCC2 2199927 SEGGHSTUKIUPMY-SSZFMOIBSA-N 495.626 5.921 50 40 JKGB N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@@H]1c1ccc(F)cc1 2414678 IEBCRUXRLVVAIG-OAQYLSRUSA-N 454.555 6.208 50 40 JKGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3201015 SNDQEPSITFDZIS-RDRPBHBLSA-N 470.960 5.156 50 40 JKGB C=CCSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2OC)=C(C)N1 6015267 QYVVLMXRPDFJPH-JOCHJYFZSA-N 451.979 5.602 50 40 JKGB Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)c1 8590249 WCDYLVNQHAOIEA-NBVRZTHBSA-N 450.523 5.778 50 40 JKGB O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)NNc1ccccc1 8820191 STGAAFHAJGOHIB-CYVLTUHYSA-N 460.024 5.245 50 40 JKGB COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccccc4O)cc3[C@@H]3C=CC[C@@H]32)cc1 9010261 IKEZOTBPZRETAX-UTJAEOCZSA-N 481.552 5.159 50 40 JKGB O=C1Oc2ccc([N+](=O)[O-])cc2[C@H]2c3sc(=O)n(-c4ccccc4)c3S[C@H](c3ccccc3)[C@@H]12 9427788 INXHNHDHJSVIEL-QHAWAJNXSA-N 488.546 5.321 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)n2C2CCCCC2)cc1 9428736 MUCURBYSJFMOEX-WPWMEQJKSA-N 476.650 5.067 50 40 JKGB CC(C)CCCCCCn1c(SCC(=O)C(C#N)=C2C=CN(C)C=C2)nc2ccccc2c1=O 12805159 MIHULTKPQXQGHH-UHFFFAOYSA-N 476.646 5.457 50 40 JKGB COc1cccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)c1 13688853 KFMTYSBBPIKVPA-ZXVVBBHZSA-N 477.634 5.400 50 40 JKGB C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)c1ccc(Cl)cc1Cl 16137100 BJCYEOFSFNGDSB-RWPZCVJISA-N 455.345 5.872 50 40 JKGB CC(C)c1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 20060207 IDKBUKVOSJWXBT-JVWAILMASA-N 484.021 5.194 50 40 JKGB CC(C)[C@@H](Br)C(=O)Nc1nc2c(Br)cc(Br)cc2s1 20133338 LRUJRSNBMLCYES-SECBINFHSA-N 471.012 5.179 50 40 JKGB CCCCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N1 20348518 OJZDOEGINAVTIL-DEOSSOPVSA-N 496.032 5.751 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(F)cc1 34687427 PNHGODOMKZIOPC-GRSHGNNSSA-N 452.869 6.429 50 40 JKGB COc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)ccc1OCCCOc1ccc(C)cc1 41120652 XTABMPHBAOZWFA-LTGZKZEYSA-N 499.592 6.656 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 58912814 GZBNOICDPHTXHQ-UVHMKAGCSA-N 471.388 5.613 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccccc1 59104268 JXEXCIZJRAYKJO-UCQKPKSFSA-N 499.998 6.065 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(C(C)(C)C)cc1 59336070 LDPXAIKTQIBGNB-RGEXLXHISA-N 466.412 7.244 50 40 JKGB O=C(N/N=C\c1ccc(OCc2cccc3ccccc23)cc1)C(O)(c1ccccc1)c1ccccc1 83324909 GUNQLRMLDMHBDC-NVMPUMLXSA-N 486.571 5.805 50 40 JKGB COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(O)CCCC3=N2)cc1 102601131 QMKBTXKIUUUIBO-HSZRJFAPSA-N 479.989 5.990 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OC(C)C 408569850 QPEBVEAVLYJQRB-WYMPLXKRSA-N 481.039 5.144 50 40 JKGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)cc2Br)cc1 408676497 JKCSLBIGEGNKQZ-OGLMXYFKSA-N 492.417 5.701 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)ccc1OCc1cccc(Cl)c1 408719623 HZSBQJHCYHQBBY-UPHQNKNSSA-N 483.033 6.090 50 40 JKGB CCCC/C(C)=N/NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1 408728840 VDUCZSPSJBCVEZ-SGWCAAJKSA-N 493.629 5.387 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1cccc2ccccc12 408753974 LIXXBNFSRWBDRT-HMMYKYKNSA-N 499.504 5.061 50 40 JKGB N#C/C(=C/c1cc(Cl)c(O)c(Br)c1)C(=O)Nc1cccc(Br)c1 408758559 MNUGLHLEOYKRFA-WMZJFQQLSA-N 456.521 5.116 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCC(=O)OC 408791617 ZQOTWWPFQWSCHC-AWNIVKPZSA-N 483.735 5.143 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1C 408804760 BEDFQNIXEKTTDQ-UDWIEESQSA-N 451.353 6.735 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)Nc2ccccc2F)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 408805600 HEPBDUCAADOGET-QGOAFFKASA-N 478.354 6.990 50 40 JKGB N#C/C(=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1 408809283 GTIZTXDPJPMWNM-XSFVSMFZSA-N 483.911 6.526 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C)cc2)c(OC)cc1Cl 408833114 SYCKZHSRYRRGJE-VXLYETTFSA-N 497.378 6.444 50 40 JKGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)c(C)c1 408857694 VUWRBZDMDDZMOV-PTNGSMBKSA-N 455.297 5.894 50 40 JKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)o2)c([N+](=O)[O-])c1 408888177 XNOSLHVKPDGXRC-GXDHUFHOSA-N 499.264 5.314 50 40 JKGB N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1c(Cl)cccc1Cl 408894390 HTXPYQFTUZNCRY-KGENOOAVSA-N 473.359 7.271 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccccc1 408962933 WCOBZVRPLZAPGF-CVKSISIWSA-N 459.458 5.083 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccccc1F 409196693 YIGOCPJAEIOJRT-WQRHYEAKSA-N 487.369 5.532 50 40 JKGB CCOc1cc(Br)c(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OCC 409210061 DHNPYRZJIPQGLS-SSDVNMTOSA-N 471.804 5.142 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1ccccc1 409310905 CQGGMIDPOPAWOP-RGXNXFOYSA-N 494.591 6.316 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccco2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409373445 SZMLTTIKGFQQSL-YSURURNPSA-N 453.709 5.591 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccs3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 1768776 SWKUCSYOGSHGIQ-JVWAILMASA-N 489.670 5.844 50 40 JKGB Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 1888084 UHILWYMWFDSVEH-YMGIJWJESA-N 473.985 5.713 50 40 JKGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccco3)cc2)cc1 3085500 LBVSZLBKZXLOFK-STBIYBPSSA-N 476.573 5.742 50 40 JKGB N#CC1=C(N)Oc2c(sc3ccccc23)[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 3230007 NPKYOVWUTFJNAB-OAQYLSRUSA-N 452.564 6.034 50 40 JKGB CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)Cc3ccc(Cl)cc3)ccc21 8386947 PKEZZXUKXVGOGX-STBIYBPSSA-N 460.965 5.531 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccc(OC)cc3[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1 9263542 PAVXLIAHYTXOCM-XDHOZWIPSA-N 470.485 5.522 50 40 JKGB CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1c(C)nn(-c2ccccc2)c1N1CCCC1 9438812 DLVOHZLZXUIOBT-PTGBLXJZSA-N 453.590 5.451 50 40 JKGB CCCCc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OC)c(OC)c4)CC(=O)N3C2)cc1 9693540 UNONEVFJERAQSQ-NRFANRHFSA-N 463.603 5.266 50 40 JKGB Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C2=C(CCCC2=O)N1 13161175 LAVVGNRGJHIUHW-OAQYLSRUSA-N 453.951 5.042 50 40 JKGB CC(=C(/CC(=O)c1ccccc1)c1ccccc1)/C(=C(/C#N)c1ccc([N+](=O)[O-])cc1)c1ccccc1 16136433 RSHSXBIKEISXJX-MQSSHLNHSA-N 484.555 7.776 50 40 JKGB CCCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 35419736 CWJBFMBMQIMLNX-DHDCSXOGSA-N 474.311 5.090 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 58913181 DMZDNJQQCJIWTG-KBKYJPHKSA-N 477.779 5.452 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1Cl 59117258 METBDAIAGXFECC-QGOAFFKASA-N 467.750 6.227 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1c(Cl)cccc1Cl 59266283 YZGSYEUMDULMGR-ZHZULCJRSA-N 495.406 7.079 50 40 JKGB CCCCCCCCCCCCCCCCCC(=O)N/N=C/C(=C/c1ccccc1)CCCCCC 104166611 CGSZWHVBQYSBQA-KTCBFMJVSA-N 496.824 10.404 50 40 JKGB Nc1nc(N)c(-c2ccc(Cl)c(Cl)c2)c(CP(Cl)(Cl)(Cl)Br)n1 104169371 CJJRHNVCPYJIJF-UHFFFAOYSA-N 485.364 6.439 50 40 JKGB CC(C)(C)[Si](C)(C)O[C@@H]1Cc2ccccc2[C@H]1NP(=O)(c1ccccc1)c1ccccc1 195753627 PQXOAQCUIRVWCB-CLJLJLNGSA-N 463.634 6.193 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(I)c1O 408533966 UFQSDPKDFMJRDT-QPEQYQDCSA-N 470.104 5.222 50 40 JKGB CCc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)c2C)cc1 408552826 VUZBIHOOTLXNIK-KGENOOAVSA-N 454.599 6.014 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1ccc(C)cc1 408578962 CAMLCTNGRIEEPZ-CIAFOILYSA-N 482.805 7.453 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1OC 408579829 KCQGIRAGGYDBSL-GIJQJNRQSA-N 458.316 6.793 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)N[C@H](C)c1ccccc1 408602286 BMFKIQIWNVPCPD-MNQDVBFDSA-N 494.595 5.899 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)NC[C@@H]1CCCO1 408735657 VUGPPZLNALTXAH-FGGAIWKESA-N 491.385 5.383 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(I)cc2)o1 408743165 FAEDQIXLKUORSA-VBKFSLOCSA-N 454.267 5.405 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccc2ccccc2c1 408747158 JSDLHOITZWCRDS-QFEZKATASA-N 482.967 6.304 50 40 JKGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OC 408756370 QUTUEVKJCKELNF-QPEQYQDCSA-N 480.156 5.165 50 40 JKGB O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)c1ccc(Cl)c(Cl)c1 408759119 YAKRJYKKQJJSEE-JFLMPSFJSA-N 499.375 5.678 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccccc1 408775114 ODGCCSLPDHHJBE-UNOMPAQXSA-N 495.348 6.112 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408792649 BRUMRLJOHOFATN-LICLKQGHSA-N 498.322 6.035 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 408809622 IINIDNGGBBAUPH-JAIQZWGSSA-N 497.378 5.813 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1cccc2ccccc12 408813304 MWCOMJKSOAEAQS-ZXVVBBHZSA-N 476.576 6.083 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1 408813329 QDJIJPSAFGTTRI-LICLKQGHSA-N 457.744 6.771 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\C2=C(C)[C@@H](c3ccc(OCc4ccccc4)cc3)C(C)=C2)cc1 408818271 NKWNEWHVXPBALZ-CTHKJOMYSA-N 490.603 6.401 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1ccc2ccccc2c1)c1cc2cc(Br)ccc2o1 408856931 LQXBFRZZDZLNHG-MWLSYYOVSA-N 499.364 6.691 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2cccc(Cl)c2)cc1 408860295 XWHJZUDMGKNJLF-UHFFFAOYSA-N 462.015 5.060 50 40 JKGB Cc1ccccc1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 408971042 GHHMBFHBWLXNBQ-NXENVEDLSA-N 481.596 5.361 50 40 JKGB O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1c2ccccc2cc2ccccc12 408995811 DYTFKELBCCJCIO-FOALMQPLSA-N 469.544 6.409 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1)c1nc2ccccc2o1 409043740 AGEUHKYCMHMZST-CXUHLZMHSA-N 455.728 7.431 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1cccc(C(F)(F)F)c1 409220611 CCSCQZDWNJYLEB-WQLSENKSSA-N 461.783 6.073 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1OCC 409323387 NYGAQHNDSOFYCM-PKAZHMFMSA-N 477.517 5.125 50 40 JKGB COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(C)cc2)cc1OC 409337283 XPHZGAMVUXWFQC-WGARJPEWSA-N 483.362 5.118 50 40 JKGB COc1cc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(Cl)c(Cl)c1 409372187 LYSTYGQZBWFOJY-HXUWFJFHSA-N 460.361 5.759 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cccc(F)c1 409394299 YGELBEKDWDISLW-ZDLGFXPLSA-N 453.267 6.140 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(Br)cc1F 1096855 GDXGLUXDPCNSKE-YBFXNURJSA-N 452.327 5.219 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)nnc1-c1ccc(C(C)(C)C)cc1 1832462 RHPBYGBBSRTVTC-OGLMXYFKSA-N 477.678 5.802 50 40 JKGB C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C/c1ccccc1Cl 2097853 VAJOIOQCNJKAIG-WEPAEKJRSA-N 489.432 5.014 50 40 JKGB Cc1ccc(C)c(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1 2280149 JWHAMUXUMVZIMI-WJDWOHSUSA-N 478.371 6.272 50 40 JKGB N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 2774382 MPAGCHUGBHRZGC-FYJGNVAPSA-N 483.911 6.526 50 40 JKGB N#C/C(=C\c1cccn1-c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1Cl 2970196 IFGCRUIWENTJOO-JLHYYAGUSA-N 461.146 6.092 50 40 JKGB O=C(CCC(=O)Nc1ccccc1Br)N/N=C/c1c2ccccc2cc2ccccc12 3167745 XSYRTMJISFAMQY-JVWAILMASA-N 474.358 5.625 50 40 JKGB O=C(NNC(=O)c1ccc(CSc2nc3ccccc3o2)cc1)Nc1ccc(Cl)c(Cl)c1 3237221 MHJIGQHLUIVTOA-UHFFFAOYSA-N 487.368 5.893 50 40 JKGB CCc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)s1 8454673 SCXJHMLENNCBPT-UXHLAJHPSA-N 455.627 6.977 50 40 JKGB CCCCCCC(O)(CCCCCC)C(=O)NN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 9007771 VATDKLDKZZWTDX-UHFFFAOYSA-N 483.609 5.945 50 40 JKGB N#CC(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)/C(O)=N/c1ccc(Cl)cc1[N+](=O)[O-] 9057408 YWLUXMDNVZDBTB-DHZHZOJOSA-N 462.676 7.010 50 40 JKGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cccc(OCc2ccccc2Cl)c1 15018663 WWMIFSONGIXKEG-KBVAKVRCSA-N 495.966 5.537 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(Br)cc1F 15227021 HPHBIJDGPLUJJV-ROTLSHHCSA-N 454.299 5.506 50 40 JKGB COc1cc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)ccc1O 16311223 NKFHOBOXBQRYLL-OVVQPSECSA-N 493.633 5.105 50 40 JKGB CC(C)(C)[C@@]1(Cl)C(=O)C(Cl)=C(Cl)/C(=N/C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1Cl 26787311 WEAZOAIXOCOVEX-BYACCURGSA-N 452.121 5.079 50 40 JKGB CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)c(OC)c1 27563400 FUKKRUCBRBXMCP-SFQUDFHCSA-N 491.371 5.200 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)c(C)n1-c1cccc(Br)c1 58912842 PSLTWRDTGMGMPT-VULFUBBASA-N 481.394 5.069 50 40 JKGB CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OCC 59291982 FSAVBNSNHQONBL-OVCLIPMQSA-N 463.759 5.754 50 40 JKGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(O)CC(C)(C)CC3=N2)cc1 104142455 MTSLAPOXSPBJEA-HSZRJFAPSA-N 493.654 6.424 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 209656244 GMPGOPIACZLKLU-PTNGSMBKSA-N 478.371 6.067 50 40 JKGB CCCCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1 408538296 KMGHVJHJOVNMFF-LGMDPLHJSA-N 461.787 6.607 50 40 JKGB CCCCCCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 408541108 XSWRSNQQMKHLJG-LTGZKZEYSA-N 469.423 7.043 50 40 JKGB CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1OC 408541564 ZWYUILLZVDGJNO-OYKKKHCWSA-N 467.791 5.834 50 40 JKGB Cc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 408581899 ZUJUCTRAVBVMLA-RGVLZGJSSA-N 451.353 6.692 50 40 JKGB CCOc1cc(/C=N\NC(=O)OCc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 408718659 QHNWARMLTRCQHA-VYYCAZPPSA-N 487.339 5.872 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 408746450 DLSRIDNWYOPBCI-HAHDFKILSA-N 493.523 5.413 50 40 JKGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Br 408747464 OIMSHBYHABINPZ-JYRVWZFOSA-N 496.586 5.975 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c2C)sc2c1CCCC2 408784408 BNXDIHKZJOIQPW-ZHZULCJRSA-N 473.598 5.675 50 40 JKGB O=C(NN=C1CCCCCCCCCCC1)c1ccc(CSc2ccc(Cl)cc2)cc1 408787166 STZLLHGGCOPYPT-UHFFFAOYSA-N 457.083 8.023 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 408791551 YMFVYKCSBRKCHX-DEDYPNTBSA-N 491.341 5.360 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c1 408799211 YHHNVYPLRPQEKC-DJKKODMXSA-N 496.350 6.643 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(OCc2ccc(Cl)c(Cl)c2)c1 408800881 QBADZXDHBVYPDS-LICLKQGHSA-N 487.770 6.780 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)cc2)cc1 408804367 DZBFUHLZYCUFBA-JJIBRWJFSA-N 476.532 6.060 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1cc(OC)ccc1OC 408807248 KTWSDLCVRMQRDP-BFBBRHFKSA-N 478.589 5.283 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCc1ccccc1F 408814256 SGXOGFJTMLRXAE-JCMHNJIXSA-N 474.507 6.217 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc(C)c1OCc1ccc(F)cc1 408848803 UOTHKWXFRUEUFN-KBVAKVRCSA-N 469.560 6.193 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cccc([N+](=O)[O-])c1 408867375 KPMSXBMRMCZAKX-VCHYOVAHSA-N 497.429 5.747 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc(F)cc2)cc1)c1cc(-c2ccccc2)nc2ccccc12 409030251 CRCXRQFGBFNYNC-MZFJOGFUSA-N 475.523 6.384 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1OCc1ccc(C)cc1 409065190 GUJWOTRPQKTHHG-PCLIKHOPSA-N 452.554 6.165 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1 409080926 OIDCUFCVQGRUBH-XNTDXEJSSA-N 494.847 5.503 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1 409183352 BCCZWLNVPAANGS-PDGQHHTCSA-N 454.357 6.345 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)cc2c1 409186847 IOWVTWVNQSPZCX-MWLSYYOVSA-N 496.523 5.815 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2C)sc(C)c1C 409199708 JFDZZPYCNHRRGU-WOJGMQOQSA-N 451.523 5.244 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1 409219720 PJNUDONEIPQZRJ-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCc1ccc(Br)cc1 409252441 BSAVJSURQUBZKK-CVKSISIWSA-N 483.362 5.199 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)c(C)c1 409265812 PIZQIUVTTVJUQE-HZHRSRAPSA-N 453.542 5.483 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1ccccc1 409390052 DIISBULZCIALIA-JAIQZWGSSA-N 452.323 6.630 50 40 JKGB O=C(N/N=C/c1cccc(Br)c1)[C@@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1 2315257 IYTVYWROVYTMIT-XYGFXTTESA-N 488.212 6.212 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1cccc(F)c1 2876994 MLXPZXPPRLGORZ-VXLYETTFSA-N 452.279 5.930 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCc1ccc(Br)cc1 4291124 CEJFKDTXYCVJCQ-LDADJPATSA-N 477.383 6.711 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc(OC)c1OC(C)=O 9075674 ZBGZGCFWLABFJI-FBHDLOMBSA-N 456.523 5.970 50 40 JKGB N#C/C(=C\Nc1ccc(Oc2ccccc2)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1 9445068 VGOAKSOOWITDIA-KNTRCKAVSA-N 463.518 6.685 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(I)cc1 10118485 MPEHEKMBUVSSNL-LGJNPRDNSA-N 497.311 5.197 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(Br)c(Sc4ccc(Cl)cc4)o3)[nH]c2c1 34863559 SQQWSIMRKCKOSM-LCYFTJDESA-N 470.779 7.096 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 59297084 QQVXVBJUZFBSBK-AQTBWJFISA-N 497.378 6.525 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1C 59432688 APKOCGHYIFKIGN-UDWIEESQSA-N 451.353 6.735 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(Cl)c(Cl)c1 59534401 WALNPGHDSRQDTO-VCHYOVAHSA-N 487.408 6.256 50 40 JKGB Cc1c(/C=N/NC(=O)[C@H]2COc3cc4ccccc4cc3O2)c2ccccc2n1Cc1ccccc1 67197023 SGKZGCCILHFTOX-LEKIUAADSA-N 475.548 5.441 50 40 JKGB N#CC1=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)N=C2CCCC(O)=C2[C@H]1c1ccco1 102605375 PXHJQSCTEVRMJT-HXUWFJFHSA-N 474.369 6.228 50 40 JKGB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OO[S@](=O)c5ccc(C)cc5)CC[C@]4(C)[C@H]3CC[C@]12C 118925917 OHAPMUUAMJFVSA-PGZSHXIMSA-N 470.675 6.502 50 40 JKGB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](Br)CC[C@]4(C)[C@H]3CC[C@@]21C 123217591 GCLRJMLUSNRQMO-FBVYSKEZSA-N 451.577 8.871 50 40 JKGB Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c(C)c1 216040309 WAVNCSOVZYJXSY-VYYCAZPPSA-N 485.809 5.991 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCC 408551555 NIXGGTRCEOJHRZ-JAIQZWGSSA-N 469.322 6.306 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1OC 408583358 TZLRVLKFYTYAPZ-UDWIEESQSA-N 462.933 5.747 50 40 JKGB O=C(NNc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408601235 ANWPMMCACQGDKT-INIZCTEOSA-N 488.346 5.208 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1O[C@@H](C)CC 408678394 YIDGYZIFSSSLCO-GNYKCMPYSA-N 488.426 5.389 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c1 408745376 RDMSLZLYNMNSLD-ZDLGFXPLSA-N 471.771 7.080 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1cccc2ccccc12 408755536 OHODFIYVYMXYTR-HZHRSRAPSA-N 497.392 7.035 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC(C)=O 408767573 YPPOKLZIELDBAD-XGICHPGQSA-N 484.133 5.235 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 408793825 GTMIWRASBSCQSI-LPYMAVHISA-N 473.359 7.271 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1cccc(Cl)c1 408802432 DYPGWWUMCALZCY-VCHYOVAHSA-N 453.325 6.127 50 40 JKGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 408803020 KJUSKGIUKGJXQJ-XRXWLHDISA-N 458.312 5.219 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 408826368 DENFNVGSXUFRCM-BYNJWEBRSA-N 491.657 5.359 50 40 JKGB COc1cccc(C(=O)N/N=C/c2cc(C)c(OCc3ccc(Br)cc3)c(C)c2)c1 408855967 IEHVGBRPIURFBI-VULFUBBASA-N 467.363 5.417 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2ccc(C(C)C)cc2)cc1 408858748 LPTAEJWOLSICCD-STBIYBPSSA-N 491.657 5.389 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 408877538 SCZGCUVXEUUELO-XDHOZWIPSA-N 485.798 7.334 50 40 JKGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408892531 BVRUMRCNHIRSBY-RPPGKUMJSA-N 463.748 5.755 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408896405 QYCADBQEYILUKY-VCHYOVAHSA-N 497.334 5.825 50 40 JKGB O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1 409022859 GVGKQTJNPCBMHG-SSDVNMTOSA-N 481.824 5.844 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 409045279 IKDHQIVJWXFNHG-RQZCQDPDSA-N 470.268 6.453 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409091857 SQYTXKCSRNNJLK-MHWRWJLKSA-N 478.848 5.803 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1Cl 409145892 SJEYLXXDFANRAC-QFIPXVFZSA-N 471.340 5.396 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cn(CC(=O)Nc4ccccc4)c4ccccc34)cc2c1 409186653 GBBYPUJEYBWOGL-MWLSYYOVSA-N 480.524 5.189 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409213295 UAWOAEWOTOKXLE-NDENLUEZSA-N 491.931 6.037 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc2ccccc2c1 409394351 ZGMMRZWIHDSHTH-CFRMEGHHSA-N 457.932 7.674 50 40 JKGB C=C(C)c1cccc(C(C)(C)NC(=O)NNP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)c1 3205881 KOQQZJMDODQOKX-UHFFFAOYSA-N 499.551 7.064 50 40 JKGB C=CCSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1 6015266 OMCDQJLKPDUHGL-OAQYLSRUSA-N 456.398 6.247 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@@H](c3ccccc3)Nc3ccc4ccccc4c3[C@H]2[C@H]1Cl 6473955 MNJHTWREHWCETR-PTZYXVPDSA-N 487.024 7.787 50 40 JKGB N#C/C(=C\Nc1cccc(Br)c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 8994566 OIWMRDIEEJDIOD-JLHYYAGUSA-N 495.314 5.564 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1 9057452 SNARWEIIXPDXER-FMIVXFBMSA-N 483.234 5.071 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)n1CC(C)C 12633266 GZIKQUXGHQNQIS-CAOOACKPSA-N 481.902 5.522 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 14151804 OKCOKEIRDLFKQW-CPNJWEJPSA-N 484.537 5.531 50 40 JKGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OCc2ccc(Cl)cc2)c1 15277340 PNPTYPZGILKOSZ-WOJGMQOQSA-N 493.903 5.390 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)c1nc(-c2ccccc2)oc1NCc1ccccc1 17576962 RRUYDQVJSRLSBM-UHFFFAOYSA-N 450.478 5.593 50 40 JKGB Cc1c(Br)c(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c(C)n1-c1ccccc1 20243670 WLIUBSFHPCPXPW-BRJLIKDPSA-N 490.854 5.894 50 40 JKGB CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cs1 23215650 YKOWACHZFIHNEU-LICLKQGHSA-N 478.382 5.473 50 40 JKGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1C 58913483 JSWZERQHGPDEKV-UXHLAJHPSA-N 480.568 5.592 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 59254500 RLKGOXCMOPZODV-DEDYPNTBSA-N 451.353 6.680 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccccc1F 59297131 QFTVWEBRAIYSNR-PXLXIMEGSA-N 452.485 6.112 50 40 JKGB N#C/C(C(=O)c1c[nH]c2ccccc12)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 101178530 ZKCBSZUYPQOPOY-HEQFHQOESA-N 467.525 5.616 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 107885835 UYFNYFOHWBUSRQ-UNOMPAQXSA-N 464.924 6.268 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccccc2F)cc1 408569436 NMCROWZFRTUYLK-JFLMPSFJSA-N 482.602 5.412 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1cccc(Br)c1 408753938 OSZNIDYKILVQGT-WQRHYEAKSA-N 478.302 5.482 50 40 JKGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl 408788423 CWUXKMSOVMPYGZ-XDHOZWIPSA-N 467.352 6.517 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C)c3)c(Br)c2)cc1 408817445 WGJOBFUKEMOYFA-XKZIYDEJSA-N 491.385 5.569 50 40 JKGB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3C)c2C)cc1 408855302 CDEBEWNHAAPTGS-XQNSMLJCSA-N 490.003 6.559 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408884710 UYNPOFUVXXVHJQ-CXUHLZMHSA-N 486.286 6.165 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 408887202 MMVWWPGPXGLBCP-HAVVHWLPSA-N 466.968 7.180 50 40 JKGB Cc1cccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)c1 408995625 CVGQGMNVMQUXTR-NDZAJKAJSA-N 477.520 5.230 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc(I)cc2)cc1)Nc1ccccc1 409000299 YJKQWYZVFIFXRW-UCQKPKSFSA-N 471.298 5.026 50 40 JKGB O=C(N/N=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cc(-c2ccccc2)nc2ccccc12 409030429 DIJFZGONSKMRTR-FZKWRIDDSA-N 498.561 6.808 50 40 JKGB Cc1cccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1C 409252513 CBLMUDKQJNXHLR-ZHZULCJRSA-N 459.933 5.520 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2F)cc1OCC 409300713 AIHDXTAHZQTMDZ-MWLSYYOVSA-N 484.955 6.010 50 40 JKGB Cc1ccc(N2C(N)=C(C#N)[C@H](c3ccc4c(c3)OCO4)C3=C2CC(C)(C)CC3=O)cc1Cl 707320 YBXVHWQHLNWKQH-QHCPKHFHSA-N 461.949 5.318 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)c1 2672436 XKGMULGJXTTXRV-PNCDLBDQSA-N 490.607 6.421 50 40 JKGB N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 3239204 YZZUIJFRLNQLDB-LHHJGKSTSA-N 458.326 5.315 50 40 JKGB COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1 7059335 RDCSKINXPSIXCK-LUNPLWTBSA-N 475.552 5.210 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC 12139321 AYJGOVNXPWRCHC-XMMPIXPASA-N 495.044 6.356 50 40 JKGB C/C(=N\NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccc2c(c1)Nc1ccccc1S2 12499098 QVODVDYXDYJZFX-VUTHCHCSSA-N 452.583 6.456 50 40 JKGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Br)c1 15945091 VQPNGUTWDSRJRT-VDCHDYNVSA-N 453.380 5.630 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1 20197818 NIJMDRNCMZSLET-JFLMPSFJSA-N 457.357 6.125 50 40 JKGB CCn1c2ccccc2c2cc(/C=C(\C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc21 20215159 QCRWTTHIDXSGIT-LFIBNONCSA-N 467.878 7.032 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccccc3Br)c2C)c1 28216086 ZVZXBGMITJBTCC-DHRITJCHSA-N 470.436 5.549 50 40 JKGB CCOc1cc(/C=N\NC(=O)COc2ccc([C@@H](C)CC)cc2)ccc1OC(=O)c1cccs1 30820861 FOBNHZFPAPXLJE-GEGDGZKASA-N 480.586 5.409 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccccc1Cl 33364075 QKXZTHPMALPOSL-LFIBNONCSA-N 484.314 5.696 50 40 JKGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 34746283 LXEBWWOCHBZGAB-ZRGSRPPYSA-N 492.746 5.827 50 40 JKGB COc1cc(/C=N\c2cc(Cl)c(OC)c(Cl)c2)ccc1N(CCCl)CCCl 104094720 FAJLURRZPSGLNO-MSXFZWOLSA-N 450.193 6.045 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1 209605550 MRJCFHSRKJQPIF-YSMPRRRNSA-N 467.363 5.499 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OCC 408540289 PQMVDWULQSDFGL-LQNQUEJISA-N 498.973 7.261 50 40 JKGB N#C/C(=C\c1cccn1-c1cccc(C(F)(F)F)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 408554965 UTJJFIMVCMOZPE-RVDMUPIBSA-N 466.488 5.854 50 40 JKGB CCc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4c(Cl)cccc4Cl)c3)CC2=O)cc1 408604334 IEEIQKSOSUYUEP-GOSISDBHSA-N 498.410 5.631 50 40 JKGB O=C(NNc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)[C@H]1CC(=O)N(c2ccccc2)C1 408611847 XAVOSIFOENDAFN-KRWDZBQOSA-N 470.356 5.069 50 40 JKGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Br 408743899 IBJMVFOQGZXNKT-DHDCSXOGSA-N 474.152 5.078 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccc(Cl)cc1 408759004 WJBOCOIXZRBNDV-RWPZCVJISA-N 493.788 6.599 50 40 JKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)cc2Cl)c1 408789197 HMZFFIHFVDIRHU-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB O=C(N/N=C/c1ccc(O)c(Cl)c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 408840612 ZNOFCYMWBVFVLF-RPPGKUMJSA-N 483.380 6.330 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1c(Cc2ccccc2Br)ccc2ccccc12 408875202 HEMQNTPWJKXLGH-HKOYGPOVSA-N 495.420 7.301 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cc(C)cc(C)c2)cc1 408888052 WCZYEUFFTGDUCK-OEAKJJBVSA-N 470.525 5.223 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c([N+](=O)[O-])c1 408889267 BIAADPIEPWKAEH-LICLKQGHSA-N 469.328 6.163 50 40 JKGB O=C(N/N=C/c1ccccc1OC(=O)c1cccc2ccccc12)c1ccc(Cl)c(Cl)c1 408890807 ZNGPESDINQWWJB-RWPZCVJISA-N 463.320 6.130 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409229946 AFRVQYHHOATRAZ-QREGZJMFSA-N 491.931 5.620 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3cc(C)ccc3C)c2)c(C)c1 409256995 OOOAFBNRKCITDF-OEAKJJBVSA-N 453.542 5.483 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccco1 409368943 UCPAYDUGCGZRGS-SSDVNMTOSA-N 478.140 5.148 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)c1cccc(F)c1 409390069 DOEUHKBUADAUCI-ZDLGFXPLSA-N 473.260 6.213 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(OCc5ccccc5F)cc4)c3C)[nH]c2c1 409390501 DMEJQOIWYQSBDU-HAHDFKILSA-N 492.554 6.761 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(N)=C(C#N)[C@@H]2c1ccc(Br)s1 705715 JWPPTFHATRORKP-LJQANCHMSA-N 472.383 5.591 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1OCc1cccc(Cl)c1 2801062 DQXZIVVHQRCHQW-GZTJUZNOSA-N 498.322 6.035 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12 9311821 OFVUPFLLRUSPFH-MOSHPQCFSA-N 474.391 7.159 50 40 JKGB CC(/C=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1)=C\c1ccccc1 9360445 WBNFWSNJGKAXBF-RDHGSAAWSA-N 470.960 6.128 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 14152157 YCLJOZJKYIZLJO-CPNJWEJPSA-N 457.530 5.762 50 40 JKGB CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1 16735500 SJEWFGPMUZRDKF-OBGWFSINSA-N 498.970 5.983 50 40 JKGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N/N=C/C=C\c1ccco1 19800692 LDISEEMYQPSFHU-HQEPOXFTSA-N 463.950 5.088 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Br)c1OCC 20175624 NZGAHSNUIMMPBD-SSDVNMTOSA-N 494.436 5.099 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2cccc(Cl)c2C)cc1 20207109 SHQGQSODPVXXFV-RWPZCVJISA-N 498.048 5.228 50 40 JKGB CSc1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1 32576849 CNNBQRLJZGRIKY-WGARJPEWSA-N 481.046 5.702 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1cc2c(ccc3ccccc32)o1 33349204 LTJWJYGZKIFGDN-VULFUBBASA-N 459.299 6.372 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCc1ccc(Br)cc1 59116703 QSDSWPPKIBYDOL-CPNJWEJPSA-N 463.331 5.582 50 40 JKGB O=C(N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccc(CSc2ccccc2)cc1 59473068 QCZGREZLHBYWNW-VUTHCHCSSA-N 487.625 5.134 50 40 JKGB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1 59473481 FXYITKKMRAYAJC-HRJIBFCWSA-N 475.013 6.703 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1OC 100843769 CIPUEYGQUPIRCJ-JLHYYAGUSA-N 465.884 6.476 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)ccc1OCc1cccc2ccccc12 107766961 ACHXLXHXSVHGJL-UXHLAJHPSA-N 484.552 5.599 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccccc1Br 108233544 PXSSICKFTYELTH-ZRDIBKRKSA-N 462.130 6.562 50 40 JKGB CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccccc1 408773680 SXJZWTUDEBJQMV-XHLNEMQHSA-N 491.657 5.282 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408794026 RDTPODFDASORBP-XDJHFCHBSA-N 489.358 7.378 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408796873 QECQXXGBNCABMH-XDHOZWIPSA-N 481.335 5.905 50 40 JKGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC 408798247 VNYWSTPHAQMHHJ-RIYZIHGNSA-N 451.737 6.156 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408798600 WDRCGPNPDKAHPU-LICLKQGHSA-N 496.292 5.621 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)Nc2ccccc2)c1Cl 408812837 PPZKGRXVSOCCDQ-WYMLVPIESA-N 470.312 6.052 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OCC)c1OC 408842687 ALVISXOELSTREL-QXPFVDMISA-N 493.607 6.352 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc([N+](=O)[O-])cc1 408859102 WKMJFHDZSFBUJH-WYMPLXKRSA-N 481.306 5.275 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1Cc1cc(C)cc(C)c1 408876561 PZTSHUABOOXHDE-CIAFOILYSA-N 462.952 6.631 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Cc2ccccc2Cl)c1 408881454 MIGRGZPVEIWOCS-RGVLZGJSSA-N 451.353 6.447 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1cccc2ccccc12 408890569 VUHWBMRAHBNEEY-CJLVFECKSA-N 462.505 5.922 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(C)cc1 408899115 ZCNVUKKTMSXVCT-RDRPBHBLSA-N 452.510 5.530 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OCc1ccccc1C 408925877 UOWWTCZYPOZUOE-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NN(c1ccccc1)c1ccccc1)Oc1ccccc1 409000295 UYCAOPLCOWVPNK-NDEPHWFRSA-N 490.563 5.737 50 40 JKGB Cc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccccc1Cl 409067766 ZJFHLXYETNRAJG-OKCVXOCRSA-N 482.971 5.366 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409068711 UWDVJMGNQOHJKK-HZHRSRAPSA-N 483.524 5.765 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1cccc(Cl)c1 409084913 XWTQYNWTGCFCBE-RIYZIHGNSA-N 499.266 6.148 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)n1 409241322 RDHKUMUWAJIQSD-LUOAPIJWSA-N 498.439 5.646 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)cc1Cl 409247941 ISDMPZFOXOYECA-SXGWCWSVSA-N 478.301 6.965 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccccc2Cl)cc1 409258558 YAAZFGBBLSYTEI-XDJHFCHBSA-N 475.932 5.302 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 409268509 UWAWJNGUUWRNKZ-QDTIIGTASA-N 484.383 5.700 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2)cc1OCC 409306208 YYZJZWDCVQUEPK-QRQIAZFYSA-N 464.949 5.646 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccc(Cl)cc1 409356755 NSVSHTNFPPPFDI-WQRHYEAKSA-N 459.170 7.399 50 40 JKGB COc1cc(/C=N/c2cc(Cl)c(OC)c(Cl)c2)ccc1N(CCCl)CCCl 1707135 FAJLURRZPSGLNO-WYMPLXKRSA-N 450.193 6.045 50 40 JKGB CCOc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1 1774242 TVOPEGLXWYPBQP-SSDVNMTOSA-N 479.052 5.125 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)cc3C(=O)c3ccccc3)n2)cc1 1820100 XYRQCAUYYJKKTN-XDJHFCHBSA-N 471.969 6.680 50 40 JKGB N#C/C(C(=O)Nc1ccccc1Cl)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2318354 URJGSHVAOBKKAK-AEPTXUNZSA-N 477.948 5.544 50 40 JKGB O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccn(Cc2ccc(Cl)cc2Cl)n1 2734061 FXAJKZTZAAXRRF-JFLMPSFJSA-N 465.340 5.794 50 40 JKGB CCCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1 6162063 FJFCIWMOJBMEER-LYBHJNIJSA-N 482.536 5.798 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1 15945823 WZLYZSAVORNXDI-LGJNPRDNSA-N 488.327 5.182 50 40 JKGB COc1ccccc1OCC(=O)N/N=C/c1c(Br)c(C)n(-c2ccc(C)cc2C)c1C 20243727 QXPTUDDRCUEIFZ-LGJNPRDNSA-N 484.394 5.011 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@H]1c1ccccc1 20348514 COCHFTVGAQBHKX-XMMPIXPASA-N 494.016 5.446 50 40 JKGB CC(C)(C)[C@@H]1CC2=C(OC(N)=C(C#N)[C@@H]2c2cccc(Cl)c2)/C(=C/c2cccc(Cl)c2)C1 22002244 NVXPHPHALPJSSC-VTAQJHJQSA-N 465.424 7.595 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 33616141 AEVKGKZWWRIZKE-UHBFCERESA-N 493.519 5.177 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1ccc2ccccc2c1 33776757 LSWRUAJEEWJPTQ-YVNNLAQVSA-N 475.331 7.698 50 40 JKGB CC(=O)Nc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 35335041 VHNWJELUPMTJMA-IPPBACCNSA-N 493.394 6.027 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Oc2ccccc2)ccc1OC(=O)c1cccs1 35402729 GXSFFINLMICADT-SILNSSARSA-N 496.544 6.314 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 39884904 BHIMTKWYWWKIFQ-RVDMUPIBSA-N 465.849 5.231 50 40 JKGB Cc1ccccc1CS/C(Nc1ccccc1Cl)=C(\C#N)S(=O)(=O)c1ccccc1 56918330 WQTPKWVYUUDWRL-GHVJWSGMSA-N 455.004 6.160 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCC 59291912 DRLAOWBCJWBPAY-OVCLIPMQSA-N 463.759 5.754 50 40 JKGB COC(=O)CCc1ccc(N[P@](=O)(Oc2ccccc2)N(CCCl)CCCl)cc1 104392885 GEUIMFOJTWUHFH-LJAQVGFWSA-N 459.310 5.171 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1OC 105677995 SJSREAQKEMNYGI-LGJNPRDNSA-N 472.328 5.027 50 40 JKGB N#C/C(=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1 107598171 KEEQGACPYRZKKY-YBEGLDIGSA-N 484.314 5.696 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)C(=O)Nc1ccc(Br)cc1 408543239 OENWGTOFEIYKJK-PTNGSMBKSA-N 490.313 5.289 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1)c1ccc(Cl)cc1Cl 408579854 KQNLBXOSAKFGRX-CXUHLZMHSA-N 493.615 8.052 50 40 JKGB CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1 408607941 FUKDUQQLMDHHBY-XODNFHPESA-N 488.346 5.363 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1 408756572 ZYSQYFGZINUJAG-XQNSMLJCSA-N 468.534 5.462 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(OC(=O)c3cccc4ccccc34)ccc3ccccc23)cc1 408757623 AYMHWDDRSCSVSY-FCDQGJHFSA-N 498.538 6.766 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Cl)cc1Cl 408792134 IMCBWLBIXGHQCT-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 408796551 PFKNPZOZYUKDAJ-OVVQPSECSA-N 485.543 6.262 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(-c3ccccc3)cc2)c1C 408863211 MARAEUBFJSQCMD-PCLIKHOPSA-N 465.984 7.269 50 40 JKGB CCOc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1OCc1ccc(Br)cc1 408875825 LNSGNMVRLQCZRP-WPWMEQJKSA-N 481.390 5.510 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(OC)c2)cc1 408881138 JTSNNUFAARDMNB-HYARGMPZSA-N 458.489 5.147 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccccc1-n1cccc1 408882393 OYTWJIIORRFJSZ-WKULSOCRSA-N 498.797 6.780 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1cc(C)cc(C)c1 408889313 BQLMASWGAIYQTB-LPYMAVHISA-N 460.961 6.480 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1 408890529 VDQRDHRKDWVBEK-OQKWZONESA-N 482.561 5.770 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3)c2C)c(C)c1 408931383 KXPRKWCHTOFKJH-OCSSWDANSA-N 482.584 5.361 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccc2ccccc2c1 409054377 VHPYFLOIVUUHBH-OCSSWDANSA-N 472.972 6.543 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 409064982 JVHWMEZTSJBDEL-LFVJCYFKSA-N 482.536 5.637 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OCc1ccc(C)cc1 409069435 XRCISMOQYRZHOH-OEAKJJBVSA-N 472.972 6.510 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCc1cccc2ccccc12 409206739 WUYJXCUDOKEMNR-OCJNCGMCSA-N 463.537 5.575 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1 409244086 XJUZVZARGBFPMT-ZMFRSBBQSA-N 475.745 5.513 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3ccc(I)cc3)o2)cc1 409372466 MAJJLJFEKFKFFC-AQTBWJFISA-N 469.278 5.792 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)NCCc1c[nH]c2ccccc12 885612 MZUDRUZINQYTFM-GZTJUZNOSA-N 459.889 5.045 50 40 JKGB biogenic,in-vitro COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(Br)c1O 9444982 BJNNPNDHIPUYAW-UUILKARUSA-N 482.186 6.658 50 40 JKGB CCc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccccc5)cc4)CC(=O)N3C2)cc1 12251053 SDURVMNSDHGVBJ-SANMLTNESA-N 481.621 6.047 50 40 JKGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)cc1 12590242 DHHQZMVYUHHTBV-LDADJPATSA-N 463.877 5.381 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c(C)c1 20195314 OTCOOZGIVFWZJE-STBIYBPSSA-N 467.525 5.637 50 40 JKGB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1 20347777 WUJXUOWTZVAMIT-SANMLTNESA-N 498.608 5.603 50 40 JKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 30821989 WVHOGPAUFXQXQX-UWSVQNCHSA-N 464.949 5.602 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 33700052 JEEZRQPHKSMDTH-ZROIWOOFSA-N 480.307 5.833 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)c(Cl)c1 33797650 PDWMUCNRARMJPU-NVMNQCDNSA-N 455.297 6.553 50 40 JKGB CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1OC 35128214 BFZRGPUGKPYPNN-FLOSOGMCSA-N 453.970 5.697 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 39884899 YEQSPGAEZCVQES-RVDMUPIBSA-N 455.297 5.976 50 40 JKGB COc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2Cl)N3)cc1 58917482 XLCLGXXRTYQGAT-HWAIMUQYSA-N 471.988 6.329 50 40 JKGB O=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C/c1cc(Br)c(N2CCCC2)o1 59302510 PBIVKNAHQBQUHE-GZIVZEMBSA-N 495.588 5.132 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 59335904 MHJSACBYBNAZRQ-JYRVWZFOSA-N 482.161 5.875 50 40 JKGB COc1cc([C@H]2C(C#N)=C(SCc3ccccc3Cl)N=C3CCCC(O)=C32)ccc1O 100703057 OYHXNRPORPPREB-QFIPXVFZSA-N 452.963 6.257 50 40 JKGB ClCCN(CCCl)c1ccc(/C=N\c2ccc(/C=C\c3ccnc4ccccc34)cc2)cc1 104378068 HLSCFSNLCFKPKZ-FBPLOVAFSA-N 474.435 7.440 50 40 JKGB CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)ccc1OCc1cccc2ccccc12 108088159 MXEUMGHEDOBMLW-XQNSMLJCSA-N 494.641 8.084 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccccc1 408544726 XDOSQRLLHNYKGH-MOSHPQCFSA-N 452.514 5.270 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 408568241 SDQYCRPCFXICPH-LQKURTRISA-N 495.417 5.736 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 408585619 GLKWIXODAQHIBM-UCQKPKSFSA-N 488.374 8.040 50 40 JKGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 408608561 HQLQVDMGHLENAQ-MUFRIFMGSA-N 493.991 5.141 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccccc1C#N 408740393 BNFWFCQPXJIXET-JAIQZWGSSA-N 488.341 5.454 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(OCC)cc3)c2C)sc(C)c1C 408744515 LSPWZYQXMGZNFY-STZFKDTASA-N 491.613 5.894 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCC 408754296 PYJKDVKFMJXMNT-QPEQYQDCSA-N 484.177 6.099 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1OCc1cccc(C)c1 408781712 DEKKFQCARHCIKH-IWIPYMOSSA-N 470.569 6.306 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2ccc(C(C)C)cc2)cc1 408782879 KFGUJGHUJJMXHI-NDZAJKAJSA-N 499.636 5.617 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1C 408790806 YZTAQWUMAJCINS-UDWIEESQSA-N 451.353 6.735 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C)cc1 408792555 AXHZDXRGWIWKJV-YDZHTSKRSA-N 474.988 6.789 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1 408878547 AKJOSUNIGKAELU-DEDYPNTBSA-N 495.362 6.295 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Cl)c1)C(=O)Nc1ccc(O)cc1 408881744 MMNYBKBPNKVRPF-GZTJUZNOSA-N 483.749 5.933 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1Cc1cc(C)cc(C)c1 408884034 WMKDTCPIQXYRHU-ZMOGYAJESA-N 473.016 7.109 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)o1 408905376 YBJWWBSVGZWFGI-JJFYIABZSA-N 473.283 5.090 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1cccc2ccccc12 409191582 IKMAMOUDESGMNM-HMAPJEAMSA-N 474.988 6.437 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(C)cc1C 409261822 DGHCWFIVOLCFBU-IWIPYMOSSA-N 497.595 5.882 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)cc(OCC)c1OCc1ccc(Cl)cc1 409336978 RVHUYQWHWNTXPV-KQWNVCNZSA-N 479.020 6.402 50 40 JKGB O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(OC(F)(F)[C@@H](F)Cl)cc1 1795236 DSZQXKIFWWHAOJ-RHSMWYFYSA-N 498.832 5.653 50 40 JKGB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1cc(OC)ccc1O 2336815 XBKXXHMMKMIBFU-WOJGMQOQSA-N 462.527 5.160 50 40 JKGB COC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)sc(C)c1C 2438281 HAHNULKERPJJEO-GDNBJRDFSA-N 455.561 5.269 50 40 JKGB Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCOCC2)ccc1OCCC(C)C 9348186 RYSNVAHSEQWKCP-HKOYGPOVSA-N 484.600 5.038 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1ccc(I)cc1 10476082 LBKSUJJMOQWWGZ-ZMOGYAJESA-N 490.728 5.288 50 40 JKGB Cc1cc(C)c2c(-n3cccc3)c(C(=O)N/N=C/c3ccc(-c4ccc(F)cc4)o3)sc2n1 12446512 DRHDYLKLRJCYFO-MZJWZYIUSA-N 458.518 5.867 50 40 JKGB Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 13768300 XKHNUTHNPQBMCP-KGENOOAVSA-N 491.956 5.095 50 40 JKGB Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 13778349 CPRQTXPMMXTATF-QPQMVVSWSA-N 475.520 5.338 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)NCc1ccco1 15226241 MXUVZBCOZDJCLM-PDGQHHTCSA-N 460.331 5.268 50 40 JKGB N#CC1=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 20347872 AQYYVDIYTFTYLL-FQEVSTJZSA-N 473.476 5.099 50 40 JKGB CC(C)(C)c1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)cc(C(C)(C)C)c1O 33794270 XGQWIUHIIUFBML-MXAYSNPKSA-N 455.649 5.839 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc3c(c2)CN(c2cccc(C(F)(F)F)c2)C3)ccc1O 36020643 GAAYKKKZNQGPRJ-DBFSUHOCSA-N 469.463 5.094 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OC(=O)c1ccc(C)cc1 59272372 WKLIAPWXWKGLFS-WOJGMQOQSA-N 491.887 5.330 50 40 JKGB CCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)I 100501545 BMSIXFZFFSFTSA-QFIPXVFZSA-N 480.515 8.131 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 106332503 FHDOJRWKNXJAHF-QNGOZBTKSA-N 454.998 6.942 50 40 JKGB Cc1cc(C)c(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)c(C)c1 107901768 GZPFLKNDLTUWEM-LGJNPRDNSA-N 460.559 5.906 50 40 JKGB CN(CC[C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1 223504558 CFJHKTVISPLZAE-UHFFFAOYSA-N 490.547 6.222 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2C#N)c(Br)c1 408745202 QAWUIHCILUNGEY-MTJSOVHGSA-N 472.342 5.754 50 40 JKGB COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Br 408763640 JHEAWSXXRGBJRB-WZUFQYTHSA-N 470.548 5.419 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1C 408789257 HWRKBUOJUIFTHR-RGVLZGJSSA-N 479.349 6.330 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1cccc([N+](=O)[O-])c1 408796711 OVUYTWJTMUOZDT-LPYMAVHISA-N 471.513 5.735 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1OCc1ccccc1C#N 408799069 XTLIZRQJPMNEQG-BUVRLJJBSA-N 479.536 5.516 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1Cl 408802287 YVCAYSIEADQQNG-KGENOOAVSA-N 487.386 7.580 50 40 JKGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 408853993 VFHNZLPZEUSBOE-COEJQBHMSA-N 465.553 5.790 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2cccc(C)c2)c(OC)c1 408874634 CUWOACZFEADNAS-LPYMAVHISA-N 460.961 6.344 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(Cc2ccccc2Cl)ccc2ccccc12 408877763 YJJNXULGGHOEMO-PXLXIMEGSA-N 471.387 7.592 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC(=O)c1ccc(C)cc1 408883746 WIPGFGFQYYXADT-WOJGMQOQSA-N 481.335 6.075 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1cc(C)cc(C)c1 408893694 GURBDUVEKKOBBG-CIAFOILYSA-N 495.406 7.134 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1ccc(Cl)c(Cl)c1 408894812 IZZWBRDOXYFBLJ-CCVNUDIWSA-N 487.383 6.052 50 40 JKGB CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OC(C)C 408904931 QQFKWHVFLIFJSW-KSEXSDGBSA-N 468.779 5.752 50 40 JKGB CCOc1ccccc1NC(=O)N/N=C\c1cc(Br)c(Sc2ccc(C)cc2)o1 408911415 NFQPLEDPUMSMMP-QRVIBDJDSA-N 474.380 6.056 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4)c(OCC)c3)cc2c1 409185310 WRDPGSOTXMFXNQ-MWLSYYOVSA-N 492.959 6.227 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1ccc(Cl)cc1 409190482 OKHVOKRKMSDPAY-RWPZCVJISA-N 469.368 6.073 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)n1 409242157 NAVGVGURPKRWDX-NSKAYECMSA-N 493.391 5.361 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1cccc2ccccc12 409313498 CDSQORLPEHEMDY-STZFKDTASA-N 453.372 8.214 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccc(C)cc1 409389113 AKOSZJWWDGURQI-NHDPSOOVSA-N 466.350 6.939 50 40 JKGB Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(F)cc3)N(c3ccc(Cl)cc3)C2=O)c1 2410078 BPSCNQMYGTTWJJ-GPSDDGMOSA-N 491.975 5.853 50 40 JKGB N#C/C(=C\c1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3)c1cccc(Cl)c1 8782215 HJICOQFLCPAXCT-GHRIWEEISA-N 450.394 7.313 50 40 JKGB Cc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c1C 9201332 NVYIZHBWCIPBCY-OGLMXYFKSA-N 452.514 5.742 50 40 JKGB CCn1c(SCC(=O)N/N=C(\C)c2ccc(Cl)c(Cl)c2)nnc1-c1ccc(C)cc1 12463962 UZIKYWCAFKWUOR-ZVHZXABRSA-N 462.406 5.213 50 40 JKGB CCC(C)(C)c1ccc(OCCCC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)c(C(C)(C)CC)c1 12562124 YLQVCWJVSGZAPZ-ZTKZIYFRSA-N 481.637 6.669 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2cc(/N=N\c3cccc4ccccc34)ccc2O)cc1OC 13839145 QXTSVCVCVVSTAI-GCXICZBRSA-N 468.513 5.671 50 40 JKGB Cn1c2ccccc2c2cc([C@H]3C(C#N)=C(N)N(c4ccccc4[N+](=O)[O-])C4=C3C(=O)CCC4)ccc21 13882130 RZMQPYQSCYMVCC-MHZLTWQESA-N 489.535 5.544 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NCc1cccs1 18173402 CEFJCMABTJCGFH-LDADJPATSA-N 453.361 5.313 50 40 JKGB COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OCc4ccc(F)cc4)c(OC)c2)C(C#N)=C(N)O3)cc1 22818768 FJZAORFUSLEQAN-XMMPIXPASA-N 498.514 5.030 50 40 JKGB COc1ccc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(F)cc1F 23375193 ZLWJFBBPVXPLIN-CPJSRVTESA-N 472.495 5.146 50 40 JKGB C=CCn1c(-c2ccc(OCC)cc2)c(C)s/c1=N\NC(=O)c1ccc(Br)cc1 26442351 GCFXTFULDLECFI-LVWGJNHUSA-N 472.408 5.118 50 40 JKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 30821990 WVHOGPAUFXQXQX-TVEVAFHQSA-N 464.949 5.602 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1c(C)n(Cc2ccccc2C#N)c2ccccc12 33552846 LTQMNONRMNSYHT-KCSSXMTESA-N 472.548 5.795 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccc(F)cc1 33568436 HJJIAFNLTFEQNB-GZTJUZNOSA-N 469.285 5.852 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 33627513 KPZVTLBNAFCFSK-JCMHNJIXSA-N 458.489 6.504 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1 35074264 LLSSKPBRNRHUCV-MOSHPQCFSA-N 454.486 5.821 50 40 JKGB O=C(CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31)N/N=C/c1ccc(O)cc1 57076382 MSNZRLIJCGQZSO-MLEMOKSJSA-N 470.617 5.238 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1 59255358 PPNXZXLLRIHTFX-WQRHYEAKSA-N 456.851 6.483 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 59332976 ONDMRUAAPFRBLK-JCMHNJIXSA-N 492.406 5.828 50 40 JKGB CCN(CC)C(=O)CN(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102565246 CBORVDTXIYOXLV-UHFFFAOYSA-N 467.573 5.271 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc(F)cc1 408541703 FGZKLCGFBWRZNC-NVMNQCDNSA-N 480.879 5.311 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OC(C)C)c3ccccc23)c(C#N)c1C 408545956 AMRFMSCYPVNGJI-XDHOZWIPSA-N 472.566 5.764 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(OCC)c1OCc1cccc2ccccc12 408551139 LIXXDUAJGINXEM-RGXNXFOYSA-N 495.622 8.763 50 40 JKGB CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1 408568650 KTPXKWUICJLOLC-MFKUBSTISA-N 452.601 5.246 50 40 JKGB O=C(CSCc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 408726955 NYXQWCRPRFLCTH-DHRITJCHSA-N 469.950 5.211 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 408742568 AVOWSONEHOKRPS-ZDLGFXPLSA-N 455.316 6.566 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\C2=C(C)[C@@H](c3ccc(OCc4ccccc4)cc3)C(C)=C2)c1 408746634 UMQDCJFBNGATJR-XLHJEKARSA-N 490.603 7.113 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408774391 ZYHSIIDPGUUDPH-BOPFTXTBSA-N 474.429 5.158 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 408789212 HNYUCVDAETYGNG-GIJQJNRQSA-N 485.342 6.656 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408793055 CWPXYTGWXZSPKT-LZYBPNLTSA-N 486.286 6.165 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c(C)c1 408798590 VWOBKGYLMOXUKW-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1C 408810353 PHQKWWLUHJQPLA-UDWIEESQSA-N 477.358 5.896 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12)C(=O)Nc1ccc(F)cc1 408847559 NKYOCCHEMQDJRY-XMHGGMMESA-N 491.349 7.410 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1Cc1ccccc1F 408867929 LQNCSFHLCXDSBN-WOJGMQOQSA-N 497.339 6.262 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1Cc1cccc(F)c1 408877664 XKLYEJCEEBNEHZ-KEBDBYFISA-N 493.376 6.350 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1Cc1cccc(F)c1 408880370 IOPSSXGMSWDZBQ-VCHYOVAHSA-N 452.888 6.153 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)c(OCc2ccccc2C)c(OC)c1 408892410 BAKQFMOFVUGYCJ-MZJWZYIUSA-N 497.389 5.426 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c(C)c1 408909102 GKOGBFYAHROKOW-UXHLAJHPSA-N 498.583 5.696 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc(F)cc1 408924460 OLABHVLSXSKARQ-LUOAPIJWSA-N 481.738 6.137 50 40 JKGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC 408984066 POQVYOPYYQMKDK-OQLLNIDSSA-N 461.743 5.530 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409048128 QIIZVORSWUJCLH-VCHYOVAHSA-N 482.323 6.335 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(OC)c1OCc1ccccc1 409228201 VVBZLBLMAKUETD-XOASYVKCSA-N 452.554 5.787 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(Br)cc3)o2)c(Br)c1 409238178 WBEAESVRKBQZMQ-FOKLQQMPSA-N 492.167 5.309 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 409394081 VIRVWUYDZSVMCQ-IDUWFGFVSA-N 462.735 7.438 50 40 JKGB CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)c(C(=O)OCC)c1C 2373715 RQWNMCYWXRZPLZ-ATVHPVEESA-N 481.599 5.818 50 40 JKGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1 3083563 HFJDVBKWJHVTQD-ZTCXCAHESA-N 474.564 5.919 50 40 JKGB COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cc(Cl)cc(Cl)c2OC)cc1 3112129 MHZBQTFBRBQXBE-LGJNPRDNSA-N 472.328 5.027 50 40 JKGB O=C(N/N=C/c1ccc(-c2cccc(Br)c2)o1)C(O)(c1ccccc1)c1ccccc1 8893746 XPXPLJCAWGVSPY-WPWMEQJKSA-N 475.342 5.095 50 40 JKGB C/C(=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc(-n2ccnc2)cc1 12600757 DKQYFBXVAJVIAI-GZZLJNBRSA-N 486.575 6.272 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(C)c1 12621436 NPFKYMBSNOMZCA-PTGBLXJZSA-N 476.580 6.491 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1cccs1 13564153 LHVDZFGAXBDUQL-BWAHOGKJSA-N 461.616 5.245 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)cc1C 16735414 PPZSFCDRFOBVAG-NBVRZTHBSA-N 470.916 5.303 50 40 JKGB O=C(N/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl)c1ccccc1Br 20760637 XSEPAROAXGEYFL-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB CCOc1cc(/C=N/NC(=O)CCSc2ccccc2)ccc1OCc1cccc(Cl)c1 27528008 LEGXLANFDFAMHX-WPWMEQJKSA-N 469.006 5.950 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(Cl)cc1 59232796 YBYNPLURAYWXAQ-LDADJPATSA-N 491.887 5.412 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 59435232 PSVRAZBYTPPBLO-DHRITJCHSA-N 489.822 5.924 50 40 JKGB O=[N+]([O-])c1cc([N+](=O)[O-])c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 97983129 MYLRXZXMOHUDFT-UHFFFAOYSA-N 488.396 5.220 50 40 JKGB Cc1cc(N(CCCl)CCCl)ccc1/C=N\c1ccc(S(=O)(=O)Nc2nccs2)cc1 104126744 UVXKYOLWKULCIM-MYYYXRDXSA-N 497.473 5.287 50 40 JKGB CC(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(O)CCCC3=N2)c1 104159546 NVRHVRFSWNRBHY-DEOSSOPVSA-N 492.000 6.184 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OCC 408539242 GFUKMFNEAPFWIQ-XQNSMLJCSA-N 469.025 6.701 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(N)=S)cc(OCC)c1OCc1ccc(Br)cc1 408542171 HHYAXRKLLZLNOV-WQRHYEAKSA-N 457.393 5.348 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1 408580176 AYYQHTPTQIBONN-VXLYETTFSA-N 468.322 6.249 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 408742010 MKXQUZHJGJDAKO-HMAPJEAMSA-N 468.940 6.626 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)cc1 408745475 MPYPHXUKYMAXTB-GRSHGNNSSA-N 478.335 5.998 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cc1 408745895 WGCPMGMIJMMTAN-MOSHPQCFSA-N 473.485 5.127 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 408795410 LSEJTBDKKFLVEW-WOJGMQOQSA-N 467.308 5.816 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ccc(Br)cc1 408796181 OIIQDWWPHQOWGR-XMHGGMMESA-N 456.343 5.998 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Br)c1)C(=O)Nc1ccccc1 408801908 WSNZQOYXSDBYAU-WOJGMQOQSA-N 467.750 6.227 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1Cc1ccccc1F 408875376 DZOVGTHULRGOFD-YBFXNURJSA-N 479.349 6.042 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)c([N+](=O)[O-])c1 408897696 SPAMOXQGZPPVEK-CPNJWEJPSA-N 452.470 5.152 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1Br 408899273 OZONQLHZHASONQ-NTUHNPAUSA-N 498.602 6.118 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Br)c1)c1ccccc1 409086495 ZUXWZZBVBLELBW-MHWRWJLKSA-N 489.247 7.233 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)c1nc2ccccc2[nH]1 409087822 ZVQMJSMVNABUFE-NTEUORMPSA-N 461.821 5.889 50 40 JKGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)c1 409187657 SXCIHHSDRFSSPK-CVKSISIWSA-N 455.543 5.479 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)c1 409260388 PRELJPJCFVRFEA-UNOMPAQXSA-N 494.378 6.173 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 409366188 ZRHMAGYJHCUOHU-VFLNYLIXSA-N 490.362 5.672 50 40 JKGB CCc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 2219668 JMBLBEHRINBHRG-NJEMLTPYSA-N 467.594 5.622 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(F)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 2343780 SEVUFBHNSMBOIG-QPQMVVSWSA-N 491.975 5.853 50 40 JKGB CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc3ccccc23)sc2c1CCCC2 2357168 VIJNWSVQMHFKMS-CAPFRKAQSA-N 458.583 6.283 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 2774391 VKUDGVXAYDJQLD-PXLXIMEGSA-N 488.515 5.526 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1cccc2ccccc12 4062580 RULUKAXXABRKRS-FJEPWZHXSA-N 494.473 5.867 50 40 JKGB CCCCCCC(O)(CCCCCC)C(=O)NN(C(=O)[C@H](C)Br)c1ccccc1 9041565 ZBBHJIDCHJKLRH-IBGZPJMESA-N 469.464 5.506 50 40 JKGB CC(C)Oc1ccccc1/C=C(\C#N)S(=O)(=O)c1cc(Br)ccc1Br 12532964 ROWFVCMLJKHGSH-OQLLNIDSSA-N 485.197 5.337 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(CC(C)(C)CC3=O)N2)c(C)c1 13066903 ZHLBCVPYUNJADL-HSZRJFAPSA-N 477.655 5.802 50 40 JKGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\c1ccccc1C(F)(F)F 13582609 JRCUOGIOLILMOU-MBTHVWNTSA-N 481.503 5.196 50 40 JKGB Cc1cc2c3c(c1)[C@@]1(C(=O)N3C3(CCCCCC3)CC2(C)C)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 14162285 LVYSGLNMPNDHFH-WJOKGBTCSA-N 499.655 5.721 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(COc3ccc(Cl)c(Cl)c3)cc2)c1 18192481 UIAJMRLUUFFDMD-XDHOZWIPSA-N 467.352 6.517 50 40 JKGB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N/N=C/c2cccc3ccccc23)cc1 20060209 CNHJFLDDHAPURR-OGLMXYFKSA-N 492.000 5.223 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cccc(F)c1 33476989 VXDLZOSWEBLGMV-NVMNQCDNSA-N 453.267 6.140 50 40 JKGB O=C(N/N=C\c1cccc(OCc2cccc3ccccc23)c1)c1cc(Br)ccc1O 33490408 GFNJZUZHDWRERY-DICXZTSXSA-N 475.342 5.651 50 40 JKGB O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccccc1F 59249213 FTOKEFOEHNZBQO-LSHDLFTRSA-N 453.720 5.750 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)cc1Cl 102686502 GMIYLBNUHRIZDS-LTGZKZEYSA-N 493.998 6.932 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2)cc1 207155241 NALRTZWBMUTCKB-BKUYFWCQSA-N 477.358 5.260 50 40 JKGB CO[C@@H]1C[C@@H]2[C@@H]3CC=C4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@H]1C(C)=O 253613866 KUJXAJMABXMSCW-RGERIQEXSA-N 460.775 7.170 50 40 JKGB biogenic,in-vitro C=CCn1c(-c2ccc(Br)cc2)csc1=NNC(=O)c1ccc(Br)cc1 254312455 MFJZYPFKSFVPJS-UHFFFAOYSA-N 493.224 5.173 50 40 JKGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2cccc(OCc3ccc(Br)cc3)c2)cc1 408568336 SRYXXPKPKLKUTD-OGLMXYFKSA-N 479.418 6.018 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)ccc3Cl)c2C)c1 408744998 IVOXSUOCIKXUSE-ODLFYWEKSA-N 463.921 5.390 50 40 JKGB N#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Cl 408747352 MTZJDRBNQNWHJB-GHXNOFRVSA-N 451.107 5.204 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)o1 408766942 XHXDSRNESQDGBJ-KAMYIIQDSA-N 499.264 5.314 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)C(=O)N1CCN(c2ccccc2)CC1 408775861 VSPDPODQXALHBW-NKFKGCMQSA-N 457.961 5.175 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(Cl)c2)cc1 408788339 JPYUUYCBZKNCMD-OEAKJJBVSA-N 468.940 6.626 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc2ccccc12 408796238 OPKOIWIEFRMADC-HYARGMPZSA-N 479.492 5.881 50 40 JKGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 408803018 KJUSKGIUKGJXQJ-JBBLAHPTSA-N 458.312 5.219 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 408803419 OQYINZKVKOHCAB-CPNJWEJPSA-N 491.349 7.410 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(C)c(C)c1 408815604 XHHPPAMYFXVKIY-OEAKJJBVSA-N 474.988 6.789 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1cccc(I)c1 408856884 LVRKBFKIEKHRFL-CFRMEGHHSA-N 483.309 5.209 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Br)C(=O)Nc1ccc(F)cc1 408875670 LCOUWUBUBYUZEU-LDADJPATSA-N 469.741 6.378 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Br)cc1 408889204 FMURPGCZFSGKIE-XSFVSMFZSA-N 491.341 5.360 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408897487 XHLBFQLWLXNUAR-CVKSISIWSA-N 486.440 5.221 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1 408899451 PJZLRXFRHSEHHF-XMHGGMMESA-N 466.946 5.270 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccc(F)cc1 408967810 SGOSAZCQLQUDKQ-VFLNYLIXSA-N 469.875 5.231 50 40 JKGB COc1cc(C=C(C#N)C#N)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409006085 HOTSBJLDFUCTCE-UHFFFAOYSA-N 467.569 5.611 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1ccccc1Br 409024433 SMLWCUFLOLLIMS-ROTLSHHCSA-N 470.754 6.020 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1ccc(F)cc1)c1cc(-c2ccccc2)nc2ccccc12 409032009 BWKQXRIJMYCJFI-MZFJOGFUSA-N 475.523 6.384 50 40 JKGB C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 409050176 ZWWDLOGUNWJEMZ-CXUHLZMHSA-N 490.195 5.939 50 40 JKGB Cc1ccccc1CN(c1ccc(C(=O)NN=C2CCCCCCCCCCC2)cc1)S(C)(=O)=O 409113316 HQOFSXMPLNKNNW-UHFFFAOYSA-N 497.705 6.352 50 40 JKGB COCCN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)C2=C1CC(C)(C)CC2=O 409148862 SWBNNMOKFCJEMG-RUZDIDTESA-N 492.019 5.302 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)cc2c1 409185371 XZYWHFWVACOCKU-WYMPLXKRSA-N 453.838 5.417 50 40 JKGB COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)oc12 409245948 BHMWXKYATFXTMT-MUXKCCDJSA-N 486.459 5.256 50 40 JKGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1OC 409318351 VVAJVUPVCAGSKS-ZMFRSBBQSA-N 459.329 5.354 50 40 JKGB C=CCOc1cc(Br)c(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1OCC 409392534 QFFGWWDOCAFYMD-DHDCSXOGSA-N 454.324 5.362 50 40 JKGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCCc1ccccc1 948132 DKLIUXXZNFJLSL-PXLXIMEGSA-N 453.947 5.308 50 40 JKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)cc3C(=O)c3ccccc3)n2)cc1 2312870 SGKLSCVLHNSHEH-LTGZKZEYSA-N 469.997 7.233 50 40 JKGB Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)s1 2366291 YDNXCIMSINPJEU-JVWAILMASA-N 489.670 5.844 50 40 JKGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)cc1 2420805 RUMQXNCSSXLCDT-HZHRSRAPSA-N 485.565 5.059 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(C)cc1 2775202 WIDPEMPMGUENAR-JFLMPSFJSA-N 491.638 5.825 50 40 JKGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)Nc1ccc2c(c1)OCCO2 3329093 JCOUDHYYUCLLHF-XSFVSMFZSA-N 488.503 5.602 50 40 JKGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CSCc3cccc(Br)c3)c2C)c1 6194032 MNTHFTRMGXKYEW-LGJNPRDNSA-N 484.463 5.857 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)c1nn(-c2ccccc2)c(N)c1C#N 8855066 NWKYVUDMVSWUCG-XSFVSMFZSA-N 458.500 5.532 50 40 JKGB Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 9223191 KTFXEZRFIXWUKB-DEOSSOPVSA-N 450.542 5.299 50 40 JKGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 9246948 AUEGGTMNZOAMIB-BIZUNTBRSA-N 473.532 5.774 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC(=O)c1cccc2ccccc12 12566938 NXIYLCSONWUGBN-HMMYKYKNSA-N 493.475 5.521 50 40 JKGB C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1cccc(Br)c1 15910669 NDPKKXLOPYCIEL-MFKUBSTISA-N 473.823 6.549 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1ccc2ccccc2c1 33728659 DUITYDDDTZHILD-QRVIBDJDSA-N 479.967 7.330 50 40 JKGB COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)COc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 58917019 MYGHFHPDFQHGHC-DNDVPWARSA-N 495.579 5.219 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 59272282 AMFXSOKEKZRTFT-DEDYPNTBSA-N 451.353 6.680 50 40 JKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)c(Br)c1 59335930 FKIAFADDFSTTAG-JLHYYAGUSA-N 476.157 6.870 50 40 JKGB COc1cccc(C(=O)N/N=C/c2cc(OC)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 59417184 PQIACQFXTOCEEG-UVHMKAGCSA-N 489.406 5.187 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cn(Cc2cccc(C(=O)OC)c2)c2ccccc12 207057077 XRKBKXAREKULSK-KQWNVCNZSA-N 463.537 5.584 50 40 JKGB Cc1ccc(COc2c(Br)cc(/C=C(\C#N)c3ccc(C)cc3)cc2Br)cc1 209404623 KSBIFGZVGGPTOR-SRZZPIQSSA-N 497.230 7.472 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1cccc(F)c1 408541168 FCMBFWRXLJWQAU-OCKHKDLRSA-N 494.906 5.701 50 40 JKGB N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1ccc(Br)cc1 408579680 JMTMMNVVEBNCOK-XIEYBQDHSA-N 490.400 8.399 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1F 408580326 OJLPIJWQDOFVOQ-VCHYOVAHSA-N 472.741 6.893 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1 408587764 HECSRIUIUNVHMD-UVHMKAGCSA-N 477.775 6.388 50 40 JKGB CCOc1ccc(/C=C(\C#N)c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1OC 408720113 XNHUHINEPWIROQ-XDHOZWIPSA-N 478.379 6.863 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccc(C)cc3)n2)c1 408724115 FPBSIUBFRKSHNJ-NDZAJKAJSA-N 460.537 5.773 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1cccc2ccccc12 408735664 VWELRHWNXAFFKH-BUVRLJJBSA-N 496.994 7.325 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1cccc(F)c1 408743808 HMGWRLZBACIJBG-WQRHYEAKSA-N 481.321 5.721 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccc(Cl)cc1Cl 408776833 RTEHLOZYJXVGGC-UUASQNMZSA-N 498.204 5.775 50 40 JKGB N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408792159 IVUJJJLSFRKPHA-XMHGGMMESA-N 499.910 6.633 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1ccccc1C#N 408792819 CQBYNMQDDMPGRW-YDZHTSKRSA-N 485.971 6.297 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1 408803545 QIFGHQYPKZHXFZ-UDWIEESQSA-N 495.804 6.790 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 408809304 NSZFJFDPWGIAJK-HZHRSRAPSA-N 496.950 6.404 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1)C(=O)Nc1cccc(Cl)c1Cl 408852616 LYIXIDIVJZTXKV-FLIBITNWSA-N 473.228 5.615 50 40 JKGB N#C/C(=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1)C(=O)Nc1cccc2ccccc12 408878522 BQXFULRRSKGZGU-FYJGNVAPSA-N 460.449 5.958 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1Cc1ccccc1Cl 408884134 SSWCUBBWAJFJRE-WOJGMQOQSA-N 485.798 7.182 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc2ccccc2c1 408947580 CNPFQXLOMNQOMS-QQXSKIMKSA-N 458.565 5.995 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(F)c(Cl)c1 408956886 ZCGQOKPUYZQUAD-NDENLUEZSA-N 460.940 5.634 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OCC)c1OCc1ccc(F)cc1 409065828 NRTAWMYCJGTHAR-PXLXIMEGSA-N 453.517 6.472 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1OCc1ccc(C(=O)O)cc1 409187176 NBIWYURYBMPPQV-HMAPJEAMSA-N 456.498 5.135 50 40 JKGB O=C(O[C@H](C(=O)c1ccccc1)[C@H](Br)c1cccc([N+](=O)[O-])c1)c1ccccc1 409205980 UKENXMFRRARYJD-CTNGQTDRSA-N 454.276 5.139 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3)C(=O)N2c2ccc(C)cc2)cc1 935030 SMEQWGHPQWTGQW-NLTRVXJZSA-N 453.567 5.368 50 40 JKGB Clc1c(CBr)c(Cl)c(CBr)c(Cl)c1CBr 1560264 HPDQKOVPZSYIQQ-UHFFFAOYSA-N 460.218 6.332 50 40 JKGB CC(C)c1ccc(C(=O)[C@H](Br)[C@H](Br)c2ccccc2)c(C(C)C)c1 1671993 SZMRSEVTGQLZEF-WOJBJXKFSA-N 452.230 7.016 50 40 JKGB COc1cc(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(C(C)=O)cc1OC 1775218 CHQMKBWTMYLRLJ-GXDHUFHOSA-N 474.369 6.313 50 40 JKGB CC[C@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3ccc4c(c3)OCO4)c3ccccc3n2)cc1 2109444 ZTBHSOMNUZXTNB-DSWROXKMSA-N 451.526 5.908 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc(Cl)c1OCc1cccc(C)c1 2162518 VLFCWGOHBGBPDA-WCMJOSRZSA-N 498.966 6.899 50 40 JKGB N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(Cl)cc1Cl 4292588 LTFKSWDJGVVOSJ-HNNXBMFYSA-N 451.235 5.416 50 40 JKGB biogenic COc1cc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)ccc1OCc1ccccc1 8387333 IUFDPLOGNAMDJJ-LPYMAVHISA-N 492.556 6.568 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc1 13944097 AIZDVHXELMNKGL-WOJGMQOQSA-N 467.308 5.816 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2OCc2ccccc2)o1 14407495 ATJXSPXKIDPTMU-FOKLQQMPSA-N 492.167 5.456 50 40 JKGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)C(=O)NCc1cccnc1 27018032 ASBYKEPGCJBIGA-XYGWBWBKSA-N 455.521 5.311 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1cc2c(ccc3ccccc32)o1 33349205 JHRPRBYAIGLXHO-ZMFRSBBQSA-N 459.845 6.172 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)c3cccc(C(F)(F)F)c3)c2)cc1C 34720002 OCUXPNSDTDBOGT-MTJSOVHGSA-N 450.460 6.404 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)cc1C 58913258 ALQFVKOXOSABOV-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB C/C(=N\NC(=O)CCSc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 58917718 SIQOGTHLETUEAL-DNDVPWARSA-N 485.628 6.675 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1cccc(Cl)c1 59117269 GIEUMBMSFIMORN-XDHOZWIPSA-N 467.352 6.517 50 40 JKGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 96504326 APQVVVSYHTULMM-ZSOIEALJSA-N 483.284 5.811 50 40 JKGB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](Cl)CCl 103527225 JTSUUZHJOZHVIG-UWTATZPHSA-N 466.999 6.207 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 408550282 FLVWWSDQHLLNGY-YUMHPJSZSA-N 476.532 7.128 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc2-c2cccc3ccccc23)c1 408725386 OKBQNTGYMOZTHV-RDRPBHBLSA-N 475.508 5.673 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cccc(Cl)c1 408734566 IAPVMIZSBRFUMD-LDADJPATSA-N 467.750 6.227 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1OCc1ccccc1C#N 408788283 DNYGIUHWWFSFQR-OYKKKHCWSA-N 481.552 5.869 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408793039 CQRKRNDDYCICDL-DEDYPNTBSA-N 495.362 6.295 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)NC2CCCCC2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408793586 FLWQROLNDNYUIK-SFQUDFHCSA-N 472.372 5.367 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1Cl 408832967 SIMGZHAPJGFCPM-XSFVSMFZSA-N 479.363 6.683 50 40 JKGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OCc1ccc(Cl)cc1 408885828 BLEXXECCZYTCMZ-LGJNPRDNSA-N 459.329 5.110 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)o2)ccc1Br 408904091 DOKSTBIOGKWYKS-JJFYIABZSA-N 464.772 6.311 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1OCc1ccc(Br)cc1 408926125 XSPUGOMMXUZXPM-LQKURTRISA-N 489.369 5.954 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)c(Cl)c1 408961468 CKVBLKBQQIKVNM-XKJRVUDJSA-N 497.300 6.364 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408965214 UQVNSWJOMOHNBK-CCVNUDIWSA-N 487.434 5.355 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409064497 CYHQWHHXUSYPIX-BUVRLJJBSA-N 497.551 6.073 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1cccc(Cl)c1 409185140 JTONSHFFDNPMOZ-VULFUBBASA-N 467.909 5.298 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1 409221223 MUWIQFPQATVLEZ-JVMBGAFUSA-N 460.961 6.102 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc(Cl)cc2Cl)cc1 409222642 CUDYOBWIXOYTNK-ROTLSHHCSA-N 472.284 5.193 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)cc2Cl)cc1 409230141 BWLWNIORJVPRQO-KBKYJPHKSA-N 489.428 5.530 50 40 JKGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OCC 409251374 PUBKDYHSYZVPIW-BKAYVGFPSA-N 455.352 5.197 50 40 JKGB Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl 409258111 RKJYTPBYDYCMHI-LDADJPATSA-N 480.351 5.865 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)CNc2cccc3ccccc23)c1C 409391971 MDYUOHYFSXEQCT-WKULSOCRSA-N 460.965 5.472 50 40 JKGB CN(C)c1ccc(Pc2ccc(N(C)C)c(C(C)(C)C)c2C(C)(C)C)c(C(C)(C)C)c1C(C)(C)C 521825124 CHBQFBHTEQDXRQ-UHFFFAOYSA-N 496.764 7.638 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N1C(=C(C#N)[C@H]2c2cccnc2)N=C(N)c2c1sc1c2CCCCC1 716672 IGOQIKUZPGVCQH-OAQYLSRUSA-N 469.614 5.113 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)c1 2727079 OYWVAEMHSQPZRF-ZHZULCJRSA-N 455.945 6.206 50 40 JKGB CCOc1cccc(-c2cc(C(=O)N/N=C/c3cc(OC)c(OC)cc3OC)c3ccccc3n2)c1 2761242 MTMIKZSKQSEZCK-STBIYBPSSA-N 485.540 5.090 50 40 JKGB N#C/C(=C/c1ccccc1Cl)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12 3050180 YLALIUJPPUCXBL-DHDCSXOGSA-N 458.270 7.415 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cccnc1Cl)C(N)=C(C#N)[C@@H]2c1ccc(Br)s1 3645058 ZLYJSETVJMGPQI-QGZVFWFLSA-N 489.826 5.500 50 40 JKGB CC[C@@H](Oc1cccc(Br)c1)C(=O)N/N=C/c1ccccc1OCc1cccc(OC)c1 3664213 HTOPYRRIBSSVEC-PVPASAESSA-N 497.389 5.344 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)NC[C@H]1CCCO1 4090712 VKVLUHUEMZZPIV-DPWKNNTCSA-N 454.357 5.199 50 40 JKGB CCOc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Br)c1OCCOc1ccccc1 4207641 HDXZBHHKJFHKEJ-YZSQISJMSA-N 498.377 5.461 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2Cl)c2ccccc12 9311506 IIXXXKCCXKHRRL-UNOMPAQXSA-N 460.364 6.851 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cccc2ccccc12 15223751 CLMGJUIRZLQWLB-ZMOGYAJESA-N 464.275 5.534 50 40 JKGB CCOC(=O)/C(C#N)=C/C=C(/c1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1 16682006 HIZXSUCRLQLQGQ-NEFFYUIDSA-N 456.373 5.170 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)COc3ccccc3C)c2C)cc1 20243711 NDTIGHHDTYWCDM-DHRITJCHSA-N 454.368 5.003 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccccc3n2C)ccc1OCc1ccc(Cl)cc1Cl 33377466 HHFLLEIQCQXXRX-WQRHYEAKSA-N 464.352 6.532 50 40 JKGB Cc1cc(C)c([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(F)cc1Cl 33432349 PBROHSRWLHJUEW-QFQXNSOFSA-N 486.978 6.269 50 40 JKGB COc1c(Cl)cc(Cl)cc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c21 35316359 LXHHSKKEXBECQS-IBGZPJMESA-N 463.324 5.763 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSCc3cccc(Cl)c3)o2)cc1 58915638 FHUGIPIFSONULB-DHRITJCHSA-N 456.951 5.160 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccccc1F 59306248 WKNVMXHHJDJCEG-JAIQZWGSSA-N 450.897 5.290 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 59447427 KUUHBAAOPRVRPW-UXHLAJHPSA-N 472.972 6.164 50 40 JKGB CCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1 100879125 IIJPXXWNGPHUNT-CJLVFECKSA-N 494.060 7.282 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)c2C)cc1Cl 408534138 UYZHALUQPGVFCB-XKJRVUDJSA-N 462.903 5.637 50 40 JKGB CCCCCCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 408538482 NQZJZQRIVJLLKE-XDJHFCHBSA-N 473.386 6.873 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)c2C)c1C 408552396 SUCQZTVDVDVYQI-FYJGNVAPSA-N 454.599 6.069 50 40 JKGB Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408566876 BFIQVPIOWPEDIB-MXAYSNPKSA-N 490.626 7.642 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c([N+](=O)[O-])cc1OCc1ccccc1 408734428 GJUPOEUJCGDEPZ-YBFXNURJSA-N 477.904 5.690 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408737649 FTDQBKLPFCQVHG-MHWRWJLKSA-N 451.822 6.021 50 40 JKGB O=C(N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)c1ccc(Cl)cc1 408752492 AXKAROQIVPBNFA-FDAWAROLSA-N 478.935 6.630 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc(Cl)c1 408766898 WOROLMHSNIXEJP-MHWRWJLKSA-N 471.727 6.412 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2ccc(C)c(C)c2)cc1 408769132 OMZWHXZUWAHOTO-RDRPBHBLSA-N 485.609 5.111 50 40 JKGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br 408789419 QCJKYACLNLEHJY-NTUHNPAUSA-N 498.160 5.243 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OC)cc1 408793642 PUXBYEDCVMSQJO-MDWZMJQESA-N 480.156 5.165 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OCc2ccc(Br)cc2)c1 408800603 QDLOEVGPKPUKNR-FYJGNVAPSA-N 491.385 6.199 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)Nc2ccccc2F)c2ccccc2n1Cc1ccc(Cl)cc1Cl 408810821 MXXNLQTUZZQJML-LDADJPATSA-N 478.354 6.990 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 408819600 XYMOTPZSQKUEKC-DEDYPNTBSA-N 478.907 5.780 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(Br)o4)cc3)cs2)cc1 408844067 OKYXQKGWNDHDPS-WYMPLXKRSA-N 481.375 5.982 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Cl)c(Cl)c1 408851987 OWCJNNRBSZZWRK-MUXKCCDJSA-N 483.351 6.481 50 40 JKGB CCOc1cc(Cl)c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 408853593 QCZCYRGKXSRWSG-KSEXSDGBSA-N 465.731 5.410 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(Cl)c2)cc1 408872715 OTIJJLMXPCRUDU-FYJGNVAPSA-N 479.363 6.307 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)c(OC)c1 408876835 RCRDFQYKFVESLP-RGVLZGJSSA-N 497.378 5.813 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)o1 408881350 MUEMZDKWPZIZAS-UKTHLTGXSA-N 452.810 5.271 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cc(C)cc(C)c1 408886740 IRMGJXYGJHAUKQ-YDZHTSKRSA-N 474.988 6.789 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 408893254 DIIKSYCDJGYBEP-BRJLIKDPSA-N 474.300 5.253 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)c2C)cc1 408978617 JLAHOEFLIZRMOG-LUNPLWTBSA-N 478.596 5.414 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OC)c1OCc1cccc(Cl)c1 409073420 MXMMWCAFRXCILM-ZVHZXABRSA-N 472.972 5.879 50 40 JKGB N#C/C(=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 409090248 LNKVXMFOHOUXDD-RVDMUPIBSA-N 450.376 6.346 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1cccc2ccccc12 409122904 CHFKWKXPRSCGBM-MHZLTWQESA-N 466.537 5.632 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)CSc3nc4ccccc4s3)c2C)cc1 409186718 GYELHLAGLMQQOR-QFEZKATASA-N 464.616 5.345 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2)cc1 409223038 GBCQNPYMJHFHSZ-CPNJWEJPSA-N 475.932 5.220 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(N(C)C)cc1 409228527 BEVNDHIPVZZZIT-UYRXBGFRSA-N 452.480 5.725 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)n1 409231736 LYEJHMDGLOFJBF-CCVNUDIWSA-N 474.561 5.207 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1cccc(F)c1)c1ccccc1 409251394 PXERVMGCPDCAGY-WBRURWICSA-N 479.349 5.952 50 40 JKGB CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OCC)c1 409331402 CXOFTOJZVYBVLS-YUMHPJSZSA-N 497.389 5.589 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1OC 409336016 ZYVOPWWGLDXOEP-DXJNIWACSA-N 498.579 5.989 50 40 JKGB O=C(CNc1cccc2ccccc12)N/N=C/c1cccc(OCc2cccc3ccccc23)c1 409393461 XMBKRAMLOAUYOX-BIZUNTBRSA-N 459.549 6.134 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1OCc1ccccc1Cl 2078417 MRPFYUUNQHNOCW-OGLMXYFKSA-N 459.933 5.482 50 40 JKGB N#C/C(=C\Nc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2cccc(Br)c2)cs1 2285480 SQCVPPDOGOIHDV-FMIVXFBMSA-N 484.728 7.221 50 40 JKGB N#C/C(C(=O)Nc1ccccc1)=C1/S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 2339038 SPHJCYJRVLPWDH-AEPTXUNZSA-N 494.403 6.058 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1 2774018 LYKIUQFINJEEMU-GXDHUFHOSA-N 468.263 5.172 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)c1 8811131 OZIPONYGOORLLZ-UVHMKAGCSA-N 489.355 5.362 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cn(Cc2ccccc2C)c2ccccc12 8812700 MUBIQPMGLMXPBI-MZJWZYIUSA-N 476.374 5.533 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 9263140 QMOYGQJCXKDFEM-VULFUBBASA-N 499.817 6.693 50 40 JKGB Cc1ccc(SCc2[nH]nc3c2[C@@H](c2cc4ccccc4nc2Cl)C(C#N)=C(N)O3)cc1 9272047 VZCZUDFGANMJRJ-FQEVSTJZSA-N 459.962 5.430 50 40 JKGB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCl)[C@H]3c2cccc(F)c2)cc1 9380733 APKWIDAXTUYRLM-GDJIYFAZSA-N 490.962 5.974 50 40 JKGB CCOc1ccc([C@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)cc1 9693144 UHNPVKPZUQWQRR-LJQANCHMSA-N 470.392 5.067 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 12555884 NLHRPGHGGWEFOO-KGENOOAVSA-N 457.486 5.427 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1nc(-c2cccs2)cs1 12561607 CUFGFUXRJFHMHM-GXDHUFHOSA-N 471.485 6.696 50 40 JKGB CCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)cc1 13037815 XGZOYEAQIWWCLE-HEHNFIMWSA-N 493.592 5.284 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2ccccc2OC)ccc1OCc1c(F)cccc1Cl 13075923 XDYKMIOULFHBQZ-IPPBACCNSA-N 485.943 5.028 50 40 JKGB CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OCc3ccc(Br)cc3)cc2)c1C 16268450 QYKYICFSTQIQDK-DEDYPNTBSA-N 464.363 5.089 50 40 JKGB CCSC1=C(C#N)[C@H](c2ccccc2Cl)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 19866748 HFKBYHDNFZKCMU-FRQCXROJSA-N 472.941 5.327 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 20197937 CKNPIQIFMBWPCC-JVWAILMASA-N 452.938 5.480 50 40 JKGB C/C(=N/NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1Cl 33467898 MUQSAXGGHCUJCF-WGARJPEWSA-N 463.817 7.093 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OC(C)C 33608472 ODJLGEBKPDGIMM-DHDCSXOGSA-N 451.279 5.680 50 40 JKGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 59336180 ZCZXPTIZFQOAIV-GHXNOFRVSA-N 486.580 6.520 50 40 JKGB N#CC1=C(SCC(=O)Nc2nccs2)N=C2CCCC(O)=C2[C@@H]1c1cccc(Cl)c1Cl 104155011 RJGAGPISISJBQG-QGZVFWFLSA-N 491.425 6.091 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Cl)cc1Cl 105063076 HANXCYKXMAOOQW-WKIKZPBSSA-N 469.324 6.091 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2sc3c(c2C(=O)O)CCCC3)c1C 107942443 XKBFAPIHZLOGFL-UYRXBGFRSA-N 459.571 5.587 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1OC 408583520 VLFIGTDRIIUVKA-RGVLZGJSSA-N 492.959 5.756 50 40 JKGB O=C(NNc1cccc(OCc2ccc(Cl)cc2Cl)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408613258 ZWSHIELIAQIWDP-MRXNPFEDSA-N 488.346 5.208 50 40 JKGB Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)c1 408746009 QEICFUBTQFPYGJ-UNOMPAQXSA-N 481.777 6.536 50 40 JKGB Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1C 408801502 UDEITBSXRCKTTF-CIAFOILYSA-N 465.380 7.043 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)c2C)c(C)c1 408931908 RXYZXXCOOHJOIS-ZMFRSBBQSA-N 497.393 5.416 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)c2C)c1 408963925 BFEMHPKIKPBFNX-LGJNPRDNSA-N 458.345 5.342 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2)c1C 409040714 HTJZGXOYTDTVRS-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1Cl 409057123 UFFLDLYDVAZWRJ-BRJLIKDPSA-N 458.301 5.553 50 40 JKGB N#C/C(=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl 409091600 RSMAWRBFOKPLIU-RVDMUPIBSA-N 464.821 5.494 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc(Br)cc1 409131097 NAVUOANHSXNTSX-QHCPKHFHSA-N 495.373 5.242 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccccc4Cl)c(OC)c3)cc2c1 409187590 SFOWQGZGERYDKK-MBTHVWNTSA-N 478.932 5.836 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(C(=O)O)cc4C)c3C)cc2c1 409188163 XAEXIPSTAZYTJG-VYYCAZPPSA-N 459.502 5.010 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccc(Cl)c(Cl)c1 409190652 UOGZOJFULOYQGH-WQRHYEAKSA-N 459.373 5.937 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 409215044 ZKSIEBAPQPBGSB-GRSHGNNSSA-N 479.286 5.699 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409237328 VZLCFLSRVIUWTG-CTPANLQCSA-N 491.931 5.620 50 40 JKGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)cc1OCC 409321506 GUVLLBDLLJVHRQ-QQXSKIMKSA-N 460.958 5.255 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c(OC)c3)[nH]c2c1 409392564 QVGZPZAUZATKSN-DHDCSXOGSA-N 487.428 5.253 50 40 JKGB c1ccc([C@@H]2N=C([C@H]3CCCCN3P(c3ccccc3)c3ccccc3)O[C@@H]2c2ccccc2)cc1 1988188008 IRYXEIDYJWFGAJ-MJSOWUPRSA-N 490.587 6.800 50 40 JKGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1F 1915656 NWEIFNWKTPXHTJ-UDWIEESQSA-N 457.910 5.405 50 40 JKGB CCc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(OCc5ccccc5)c4)CC(=O)N3C2)cc1 12251020 JIAMLESGXHGRPP-AREMUKBSSA-N 481.621 6.047 50 40 JKGB CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)c1c(C)[nH]c(C)c1C(=O)OCC 13134773 OZTVSYVPTOCOAZ-MHWRWJLKSA-N 459.340 5.149 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)cc1 16158220 JQDPGWLBLSPZOW-HMAPJEAMSA-N 485.971 5.675 50 40 JKGB CN(c1ccc(C(=O)NN=C2CCCCCCCCCCC2)cc1)S(=O)(=O)c1ccccc1 20059320 YRTIZONVKZOURE-UHFFFAOYSA-N 469.651 5.902 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccccc1 20347849 KCCTYGUUMJKVBD-HSZRJFAPSA-N 464.974 5.381 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 58913030 WCBSBTQPVZCUKA-OPEKNORGSA-N 463.752 5.143 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C)cc2)cc1 59255395 MNXGANKCJLHCHD-HYARGMPZSA-N 475.386 6.445 50 40 JKGB COC(=O)/C(C#N)=C(/Cc1ccccc1)C1=C(N[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)CCC1 95951355 NKPZCNZWDHYXLY-QBZNKXKHSA-N 486.612 5.203 50 40 JKGB CC(C)(C)c1ccc(Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1 96398826 NEUXZZRQDOJJAL-JXAWBTAJSA-N 475.932 6.884 50 40 JKGB CCC[C@@H](P(=O)(c1ccccc1)c1ccccc1)[PH](CC)(c1ccccc1)c1ccccc1 104157678 ZJGQKNZIYGUENV-SSEXGKCCSA-N 472.549 6.548 50 40 JKGB CC(C)=CCC/C(C)=C/C=N\NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C/C=C(\C)CCC=C(C)C 104385038 NBVXLNMQFFNYMV-RDYVDBJYSA-N 474.715 6.086 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2s1 107980920 MLZQOWXKYHAVLB-UVHMKAGCSA-N 488.956 6.230 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)C(=O)Nc1ccccc1Cl 408607934 FTQGEOPYYJJDOA-RPPGKUMJSA-N 476.747 5.315 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1Cl 408608828 PWWHRECILATTTD-KKMKTNMSSA-N 490.774 5.623 50 40 JKGB C/C(=N\NC(=O)CCSc1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1 408719247 AKYXVUDXDGOWGN-WPWMEQJKSA-N 451.979 5.615 50 40 JKGB COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccc(C)cc3)n2)cc1 408724122 FSLAMWJHOHHGLS-ZCTHSVRISA-N 488.547 5.551 50 40 JKGB Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c3ccccc32)c1 408743232 FGCUGVJPFMGKAY-ZHZULCJRSA-N 470.370 6.306 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OCC)c2)cc1 408744643 MJKAJGXRXRGLHE-JCMHNJIXSA-N 486.524 5.307 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 408747938 VXZSQKDVLFGMFA-ONUIUJJFSA-N 479.555 6.036 50 40 JKGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 408754330 QFOBFFRKPIPAQC-IPPBACCNSA-N 489.881 5.069 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(I)c1OC 408764480 UAGNSPJYGXZEKW-GZTJUZNOSA-N 498.320 5.397 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(OCc2ccc(Br)cc2)c1 408801695 BBRUSTWZBQYMBR-DEDYPNTBSA-N 477.358 5.891 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 408815823 SHXVSZMMXKWPGK-JLPGSUDCSA-N 472.972 5.879 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(Cl)c2)cc1 408872234 BOXGLJLSANDBBR-DEDYPNTBSA-N 451.353 6.529 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)c1 408879575 FIHBINUPVNNYCZ-RGVLZGJSSA-N 495.804 6.844 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1ccc(C(=O)O)cc1 408892420 BDNQEKFKOOPNAE-RCCKNPSSSA-N 462.461 5.303 50 40 JKGB Cc1cc(NC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1Br 408904861 PQNUEXWFTDKVTQ-AUEPDCJTSA-N 467.150 6.480 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 408938404 QITNIACVOMPDJK-ODLFYWEKSA-N 481.335 5.905 50 40 JKGB Cc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)c(C)n1-c1ccc(C(C)(C)C)cc1 408968880 ZWIUAFXVVRQDPD-DICXZTSXSA-N 476.671 6.244 50 40 JKGB CCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(C)cc23)c2cc(C)ccc21 409037593 SXXRTDPXQXAWLM-KYHGBAKBSA-N 495.026 7.219 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc2ccccc2c1 409250742 RXSKXMHIKXFAJJ-XKZIYDEJSA-N 459.471 6.812 50 40 JKGB CCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1Cl 409310019 PDONRGMCKCGNFD-QRQIAZFYSA-N 466.965 5.870 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(F)cc2)cc1 935089 DFIGKHHWVHIIPP-YMGIJWJESA-N 491.975 5.853 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1OC(=O)c1cccs1 1088497 HOFAGYLVKCKHHH-XMMPIXPASA-N 468.534 5.737 50 40 JKGB Cc1ccc2nc(/C(C#N)=C/c3cc([N+](=O)[O-])c(N4CCCCC4)cc3N3CCCCC3)[nH]c2c1 6281425 CMILYSXWKWNERJ-RCCKNPSSSA-N 470.577 5.824 50 40 JKGB O=C(N/N=C/c1c(O)ccc2ccccc12)/C(=C\c1cccs1)NC(=O)c1ccccc1Cl 8427199 HBKJSGCWJDEUIZ-USLDOAAOSA-N 475.957 5.182 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1ccc(F)cc1 9019077 HTNATRYWNCOIDU-JVWAILMASA-N 486.016 5.875 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 9057468 WZPFKSLNLYGYPG-LDADJPATSA-N 478.302 5.482 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(NC(=O)c3ccccc3OC)Oc3c2ccc2ccccc32)cc1OC 9435008 DQFAPLOSMVXRRS-HHHXNRCGSA-N 492.531 5.555 50 40 JKGB COc1cccc(/C(C)=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)c1 12467262 MBKZFGQMCDMLNI-LPYMAVHISA-N 479.052 5.125 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1C(=O)O 12469221 URSOZQBCFPUGHR-RVDMUPIBSA-N 481.291 5.456 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OC(=O)c1ccc(OC)cc1 12590778 RWFUTTYMJNWVAS-XMHGGMMESA-N 456.523 5.987 50 40 JKGB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@@]21C 12660846 XDHSPKUJYNEBHS-ZHIQNIDPSA-N 481.471 5.308 50 40 JKGB biogenic N#CC(C#N)=C(C1CC1)[C@H]1[C@H]2c3ccccc3C=CN2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 15905878 XGMRBSIJVDWHQT-UJOGNLFBSA-N 467.572 6.433 50 40 JKGB COc1c(Br)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(OC)c1Br 27531981 LKVVBCQMZLRHIS-YRNVUSSQSA-N 463.129 5.169 50 40 JKGB CCCCCCOc1ccc(/C=C/C(=O)Oc2cccc(/C=C(\C#N)C(=O)OC)c2)cc1OC 27563875 JAGIHWPCOLXJGO-LOMPOVAFSA-N 463.530 5.353 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccncc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 30742917 BNPKTUFWQLSPQW-RHANQZHGSA-N 484.629 5.178 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1 33782925 HZONFGHBOHMBNO-WYMPLXKRSA-N 488.725 5.354 50 40 JKGB COc1cc(/C=N\NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc(Br)c1OC 33921968 UBZDBKMVJINONP-FVYAXXHLSA-N 459.384 5.018 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc21 223517078 CVZAEMYMDVSKEE-MUXKCCDJSA-N 494.433 6.678 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1Oc1ccc([N+](=O)[O-])cn1 408543822 RCXZIBSIFYKQAN-WQRHYEAKSA-N 455.474 5.738 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1Br 408549496 UMXQZGMGOZEPIW-NVMNQCDNSA-N 457.165 6.828 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)c1nc2ccc(F)cc2[nH]1 408569200 ZKZNEXWMJBTKLM-NVMNQCDNSA-N 473.305 5.979 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccccc1 408579720 JTWDXHSXAFTFLP-DEDYPNTBSA-N 498.398 5.988 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1cccc(F)c1 408579826 KAIWQWKGDKAABX-GIJQJNRQSA-N 472.741 6.893 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1 408692126 DXTUPVXONSILFZ-BRJLIKDPSA-N 459.775 5.072 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)C(=O)Nc1ccccc1 408744539 YKYUIZNLVOYDLF-RGEXLXHISA-N 480.305 5.416 50 40 JKGB Cc1sc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)c(C#N)c1C 408747259 LFEPZHQUPDISSU-ZDLGFXPLSA-N 479.403 5.952 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccccc1Cl 408763706 JOUFLDSZRFOKQS-BOPFTXTBSA-N 454.755 6.056 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(C(=O)O)cc1 408812515 NGLVRVHDPSRCFA-MOSHPQCFSA-N 460.461 5.047 50 40 JKGB CCOC(=O)[C@@H]1[C](n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccco3)c2C)SC2=C1CCCC2 408831801 WSQYSNFYMONTDR-CAVPUYEOSA-N 464.567 5.335 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cc1 408852848 JICQSWPQMBBEGJ-NVMPUMLXSA-N 485.587 6.796 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1F)C(=O)Nc1ccc(F)cc1 408879268 CQEMWIHMPRCYAF-LDADJPATSA-N 453.286 5.864 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409068314 AGQSJNXFCPKABV-XMHGGMMESA-N 496.972 5.361 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1 409071296 NOKOOJXMLSMWIX-XNTDXEJSSA-N 491.327 5.446 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1ccccc1Cl 409071372 NXJJUNVPFWGASA-HZHRSRAPSA-N 474.944 7.019 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OCC)c1OCc1ccc(Cl)cc1 409076083 XNYQUOKBTHOVKD-PXLXIMEGSA-N 469.972 6.987 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 409194685 QIANNWOYLQEVAR-PXNMLYILSA-N 479.791 6.200 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F 409238461 DJYDCIRYYQONAF-MUXKCCDJSA-N 458.892 5.289 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)NCCCc1ccccc1 409243613 XCYLICNSHQPHSX-HMAPJEAMSA-N 465.380 6.228 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409262808 HNTOXWARWKHOGN-BUVRLJJBSA-N 497.595 5.882 50 40 JKGB COC(=O)c1ccc(Cn2cc(/C=C(/C#N)c3cccc(Br)c3)c3ccccc32)o1 409392394 LZQCEWPVHPCHNK-BOPFTXTBSA-N 461.315 5.896 50 40 JKGB Cc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)c(-c3ccccc3)c2c1 409395359 MQRAWRDKBNYHOS-UHFFFAOYSA-N 473.532 6.126 50 40 JKGB Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)cc1 409396257 XIWDOLOETAFBPM-UHFFFAOYSA-N 473.532 6.126 50 40 JKGB Cc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(Br)cc1 647815 YBJUXNJBZGNGGQ-NRFANRHFSA-N 499.430 5.849 50 40 JKGB O=C(NNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)c1ccccc1Br 1498235 GBDFDTXAVIHRPH-UHFFFAOYSA-N 453.727 5.470 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1)c1ccc(-c2ccccc2)cc1 3089292 BQGGKOZEHFOHBY-UXHLAJHPSA-N 468.940 6.033 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)c(C)n1-c1ccc(Cl)c(Cl)c1 3232379 JTXZTBCWSDSDMA-MHWRWJLKSA-N 489.200 6.709 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)cc1 3322964 AAAWYWDGWKEUQP-CYVLTUHYSA-N 471.513 6.239 50 40 JKGB COc1ccc(/C=N/NC(=O)[C@H](C)Nc2ccc3ccccc3c2)cc1OCc1ccc([N+](=O)[O-])cc1 8780823 VWUXVOZAYKBRLG-HJHSVFMCSA-N 498.539 5.286 50 40 JKGB CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(Br)ccc1OCc1ccccc1 9296306 UKINFNIAZCRRNN-DEOSSOPVSA-N 476.374 5.312 50 40 JKGB N#C/C(=C\C(Br)=C\c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 13027758 MVEOJJPYPPBNEA-FZNZPSIXSA-N 472.205 6.916 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCc1cccc(Cl)c1 20195157 LKZZBCSSHLOHJH-CCVNUDIWSA-N 471.384 5.891 50 40 JKGB N#CC1=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)NC2=C(C(=O)CCC2)[C@H]1c1ccco1 20347874 AQYYVDIYTFTYLL-HXUWFJFHSA-N 473.476 5.099 50 40 JKGB C/C(=N/NC(=O)c1ccc(CSc2cccc3cccnc23)cc1)c1ccc(C(C)(C)C)cc1 33669612 OUUZUVSFBLSWRN-GTWSWNCMSA-N 467.638 6.979 50 40 JKGB N#C/C(=C/C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2)CC1)C(=O)Nc1ccccc1F 33688532 WYIWEKXQKQANMX-HZKYKWALSA-N 463.940 5.331 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc2c(c1)OCO2 34263090 NMBMBLYHZSKROV-YVLHZVERSA-N 464.319 5.131 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Br)c2)c1 59432969 VOKSTBVQRMZBOT-FYJGNVAPSA-N 461.359 6.191 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1F 107652507 JJZDMPPYWFMAAQ-STZFKDTASA-N 458.330 7.385 50 40 JKGB N#C/C(=C\c1ccc(Cl)cc1Cl)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 408719276 KNYSAJZFIBMYQB-CXUHLZMHSA-N 473.190 7.762 50 40 JKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12 408805973 DFIHLYXMCAAOFN-RCCKNPSSSA-N 469.972 6.514 50 40 JKGB CCOc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1 408867104 IUBWKJDSGSRYCK-NTUHNPAUSA-N 450.130 5.156 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c([N+](=O)[O-])c1 408887953 VITVDPBWTXZGBU-FMIVXFBMSA-N 458.257 5.716 50 40 JKGB Cc1cc(/C=N\NC(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408934826 DFAYYPUMTSZJKT-MYKKPKGFSA-N 489.757 5.364 50 40 JKGB Cc1cccc2c(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c(C)n(C(C)C)c12 409036535 LMFXIMYLOZLFEL-MNBJERMJSA-N 460.581 6.818 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 409054310 FJIPDRAYCFOXRD-XSFVSMFZSA-N 489.959 5.610 50 40 JKGB CN1C(N)=C(C#N)[C@H](c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C2=C1CCCC2=O 409133219 PHFNGPGLBSZGCG-NRFANRHFSA-N 472.347 5.441 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1cccc(I)c1 409191530 YJTAJXJOJMDJLU-FSJBWODESA-N 477.733 5.116 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2)cc1 409225282 NZIAKWIWLDUULZ-XSFVSMFZSA-N 489.959 5.610 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(Cl)c2)cc1OC 409323899 RNRHLZNFLLKNGJ-VYYCAZPPSA-N 456.901 5.229 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Br)c1OCc1ccc(Cl)cc1 409368056 QSPPQCDWYSCSLQ-WOJGMQOQSA-N 489.797 5.610 50 40 JKGB COC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)O[C@@](F)(C(=O)F)C(F)(F)F 1772820753 VFEAQWYBINWEKS-VKHMYHEASA-N 494.097 5.100 50 40 JKGB COc1ccc(-c2ccc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)o2)c([N+](=O)[O-])c1 659722 NGXWYRMOGNOAPV-VULFUBBASA-N 455.426 5.527 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 935076 HNVTZMXHPJUIBI-YDYXIROLSA-N 457.530 5.199 50 40 JKGB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1cc(OC)ccc1O 1453718 IRXNIHTYAWBMOB-MHWRWJLKSA-N 482.945 5.505 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc(Cl)c1O 2162165 MIFPNXQIWNMBNZ-NSKAYECMSA-N 498.914 5.356 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3c(Cl)cccc3Cl)n2-c2ccccc2)cc1 6143228 GFUSQXAFXZNOMD-VYYCAZPPSA-N 496.423 5.792 50 40 JKGB C/C(=N\NC(=O)c1ccc(NCc2ccc(Cl)cc2)cc1)c1ccc(Br)cc1 8875240 WEDRPXNOJVOLBM-CVKSISIWSA-N 456.771 5.869 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 10476054 ZNVBBAPVHCRHGB-UXHLAJHPSA-N 456.517 5.649 50 40 JKGB Cc1c(/C=N\NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc2n1Cc1ccccc1Cl 16249819 CVRWEYBYEHOEER-TWUOJQIPSA-N 493.810 5.934 50 40 JKGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc3c(c2)OCO3)cc1OCc1cccc(C(F)(F)F)c1 20259322 IVVNWDLNWGDJSQ-NVMNQCDNSA-N 496.441 5.567 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccccc1Cl 20760161 OPABKZLKOQIVAA-VULFUBBASA-N 487.781 5.844 50 40 JKGB CCOc1ccc(Oc2c(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2-c2ccccc2)cc1 33424139 KKHSUNBFHNRCJP-PKAZHMFMSA-N 485.500 5.044 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc(Cl)cc1 33534894 FFYQTGLVMYOZFH-NVMNQCDNSA-N 497.334 5.825 50 40 JKGB COc1ccc(-c2nnc(SCC(=O)N/N=C\C(C)=C\c3ccccc3)n2-c2ccccc2)cc1 33794905 ZMWOASKYCLQGEY-NINPINDZSA-N 483.597 5.241 50 40 JKGB Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 59117475 LEGZYVNZIBAZRW-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Cl 59145793 ARWXMWFZNKQEEJ-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1 59536566 PXTBFJNQULEDSD-UVHMKAGCSA-N 477.775 6.388 50 40 JKGB Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)cc2Br)c1 408541871 GINNGLAIVPJGTA-JAIQZWGSSA-N 491.341 5.580 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1ccc(C)cc1 408549832 ZXFALZLYWHQAGZ-QFEZKATASA-N 484.393 7.563 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1ccc2ccccc2c1 408550862 KKJQHDGCYPXESY-UCQKPKSFSA-N 474.785 7.899 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCc1ccc(C(=O)O)cc1 408579388 GQTRSLOLIPTDJJ-FYJGNVAPSA-N 478.342 6.189 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1cccc(C)c1 408583681 WLFKULOSIJXTNL-HYARGMPZSA-N 472.541 5.493 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)Sc1nc2ccccc2[nH]1 408599477 VKRKOAXCMAAVAS-GZTJUZNOSA-N 459.443 5.828 50 40 JKGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccccc1 408606696 AGIXJIDQQNEEAW-MZJWZYIUSA-N 486.355 5.060 50 40 JKGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 408607511 DKNCZUSXRPIMQP-LQKURTRISA-N 463.965 5.133 50 40 JKGB CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 408711975 SZCNVHVJNZYFBN-QRQIAZFYSA-N 466.965 5.409 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1)C(=O)Nc1ccccc1 408752340 AASCAWSINPJOSY-SFQUDFHCSA-N 466.324 5.557 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 408791456 XTDNZCOUKMIQHQ-GIJQJNRQSA-N 482.323 6.335 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1cccc2ccccc12 408796730 PRWAMFCBPKRACI-ZVHZXABRSA-N 496.994 7.243 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(OCc2cccc3ccccc23)c1 408809133 KCFWKXHGKYSVAJ-OEAKJJBVSA-N 482.967 6.935 50 40 JKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Br)c1 408870391 VCQRXSOSJMAJEA-ZMOGYAJESA-N 473.414 6.819 50 40 JKGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)c(Br)c1 408891538 SEJKBXBXWGYHOG-GXDHUFHOSA-N 463.173 5.132 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccc(Cl)cc1 408964100 FVTPWVLEUXSFFD-LGJNPRDNSA-N 479.876 5.346 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1CC=C 408991946 RQKXCBIOGNQLML-WQRHYEAKSA-N 471.782 6.250 50 40 JKGB CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NN(c1ccccc1)c1ccccc1 409000331 VMXQCHQMETXJNH-VWLOTQADSA-N 470.573 5.473 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCC#N 409039884 XEVLHBXRTHIRDB-MWLSYYOVSA-N 470.916 5.230 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1)C(=O)NCc1ccccc1 409045397 YGTCNRUEUCFAEJ-VXLYETTFSA-N 471.771 6.449 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Cl)c1OCc1ccc(Cl)cc1 409050397 VIVIXFRHWBTHCL-LIFJFEPXSA-N 475.416 6.248 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1OCc1ccccc1F 409069255 IFGFVXBLHALOKM-KGENOOAVSA-N 476.935 6.341 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2Cl)cc1 409191175 CYVPMCJGIIEEQT-LGJNPRDNSA-N 456.329 5.083 50 40 JKGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccccc1Cl)c1ccc(Cl)cc1Cl 409217586 DMRYKHNNHLPLCK-RAWMCFOBSA-N 482.150 6.283 50 40 JKGB COc1cc(OC)c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br 409220463 AAXKAFJUVVTQJC-SDQBBNPISA-N 455.230 5.031 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc2ccccc2c1 409242622 XEWHVVJYQLVFPZ-ZPPBPVQNSA-N 462.549 6.212 50 40 JKGB N#CC1=C(SCC(=O)Nc2cccc(Cl)c2Cl)NC(=O)C[C@@H]1c1ccc(Cl)cc1 409323422 OYVRNPPSPIOUMY-CYBMUJFWSA-N 466.777 5.357 50 40 JKGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)c1 1764477 OPRHULMYIGCVNF-OCSSWDANSA-N 453.586 5.959 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 1820119 ALXDIIZQXXXWLV-UVHMKAGCSA-N 452.341 5.526 50 40 JKGB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(O)c(OC)c1 2320913 MBAIMMGUMAISCU-WOJGMQOQSA-N 462.527 5.160 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c(C)n1-c1ccc(Br)cc1 3255544 CPPZEVWDVMZSPH-SFQUDFHCSA-N 488.307 6.421 50 40 JKGB N#CC(C#N)=C(C1=C2C=CC=CN2[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 8844862 XYBATOCFWBCVRD-PQHLKRTFSA-N 485.974 6.829 50 40 JKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2cc(/N=N/c3ccccc3Cl)ccc2O)cc1 10059258 LDPXPOPKZDEWMT-UUVHNDCZSA-N 464.953 6.504 50 40 JKGB C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1nc2ccccc2[nH]1 13576976 IXRCQKWXMUASIR-MDWZMJQESA-N 459.141 5.717 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 14152039 WKRFHDVZZGIDPU-UDWIEESQSA-N 483.549 5.321 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)c1 16735983 CMDHLVWZOUYTMR-NBVRZTHBSA-N 470.916 5.303 50 40 JKGB O=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccccc2OCc2cccc3ccccc23)n[nH]1 16971168 RZBYFZFZGCCTEZ-STBIYBPSSA-N 462.509 5.278 50 40 JKGB COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc(Br)c1OCc1ccccc1 28217738 VMOLKHSGQPPBEN-AEIQVQRHSA-N 499.430 5.668 50 40 JKGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 33730931 FBFMPPFEEQOJDQ-OCSSWDANSA-N 460.537 5.565 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 58835102 BRAHAJUXHWDGJL-MZJWZYIUSA-N 473.356 5.500 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccccc1 59484553 PLKGHNGHMRXFIQ-CIAFOILYSA-N 477.358 5.260 50 40 JKGB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N/N=C/c5cc(Br)ccc5F)(C4)C2)C3)cc1 100846445 XXPTYNOPNGYVLP-HOWIKLACSA-N 469.398 5.885 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cn(CC(=O)Nc2ccc(C)cc2)c2ccccc12 101032674 LZNOIZSSQJRZNK-FMCGGJTJSA-N 484.563 5.597 50 40 JKGB CC12C[C@H](Br)[C@H](Br)CC1(C)C[C@@H](Br)[C@H](Br)C2 101046559 CXHKDKVYYZDCRY-NKIOINFDSA-N 481.892 5.641 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 408789280 IHUMBGYIHDTCAW-SXGWCWSVSA-N 455.301 5.855 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408790039 MNHXIFZOTXCTDH-RGVLZGJSSA-N 491.931 5.998 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1 408790042 MPNVJVXVPWMMAA-WOJGMQOQSA-N 485.342 6.656 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(I)c1OC(C)C 408807058 OAXRPRQEPLQMLO-RQZCQDPDSA-N 490.341 5.250 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3c(C)ccc4ccccc34)ccc3ccccc23)c(C)c1 408813564 NLUDHOSAHPZTIZ-ZXVVBBHZSA-N 496.610 8.043 50 40 JKGB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2cccn2-c2ccc(N(C)C)cc2)c1 408846289 IFPXUYZOFHSUFL-UHFFFAOYSA-N 459.981 5.368 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)cc2)cc1 408866068 DHFXQOWCFHDJQZ-LTGZKZEYSA-N 461.359 5.984 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Cl)c(Br)c1 408874300 ZYBANPCAEIJJFV-FYJGNVAPSA-N 479.805 6.801 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2cccc(F)c2)c1)C(=O)Nc1cccc(Cl)c1Cl 408887141 OGZYNSQSMCJKMO-MHWRWJLKSA-N 455.272 5.897 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc(OC(=O)c2cccc3ccccc23)c1 408896811 TVEDMOIHVBFIOG-LQKURTRISA-N 497.601 5.911 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1ccc(Cl)cc1 408915730 ZQQPEKGXTUWBMV-RWPZCVJISA-N 466.965 5.464 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)c1C 409090247 LNGYTDULBCGJFQ-LICLKQGHSA-N 492.875 6.111 50 40 JKGB Cc1ccc(SCCC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1 409118018 PTCLNVNPYPQIOB-VULFUBBASA-N 460.430 6.342 50 40 JKGB COc1ccccc1N1CCN(Cc2ccc(C(=O)NN=C3CCC(C(C)(C)C)CC3)cc2)CC1 409183403 BYHFXQAZVUBLFG-UHFFFAOYSA-N 476.665 5.340 50 40 JKGB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1 409226540 UQBHWZADDMYVJO-UZRTWBFMSA-N 484.295 5.284 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1 409259069 ZKCOAOVYAVPKIC-PPDIBHTLSA-N 490.774 5.737 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccccc3)cc2Cl)c1 409265802 PGXJMNRGNWEHOB-WKIKZPBSSA-N 470.356 5.392 50 40 JKGB ClCCN(CCCl)c1ccc(/C=N/n2c(-c3ccccc3)nnc2-c2ccccc2)cc1 1730847 NGIAHYWUAFVAHI-TURZUDJPSA-N 464.400 5.778 50 40 JKGB Cc1ccccc1C[C@@H]1S/C(=C(\C#N)C(=O)Nc2ccc(F)cc2)N(c2ccc(Cl)cc2)C1=O 2406360 KDXLRSWOPLHZBC-GPSDDGMOSA-N 491.975 5.853 50 40 JKGB COc1cccc(OCCOc2c(Cl)cc(Cl)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1 8874762 CIWWSKGCAJOHGA-WOJGMQOQSA-N 485.323 6.432 50 40 JKGB O=C(N/N=C/c1ccc(OC(F)F)cc1OC(F)F)c1ccccc1OCCOc1ccccc1 12566237 PXZFDBBJRRVAJE-WKULSOCRSA-N 492.425 5.111 50 40 JKGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccccc2CC)NC2=C1C(=O)CCC2 13174416 QKBZHGUDVPTULC-AREMUKBSSA-N 487.625 5.449 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc(Cl)c(Cl)c1 13894781 IXIUJWSTMOVHQI-JVWAILMASA-N 496.423 5.874 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)c2cccs2)=C(C#N)[C@H]1c1ccco1 20348221 QJIIBPCDTUBSBC-NRFANRHFSA-N 476.579 5.354 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 33959941 NXRGELWMNHOURO-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 40961707 HGQLOIVLIDWYHM-LGJNPRDNSA-N 475.397 5.823 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 58884707 OSFPNWPEMWNHGQ-VUTHCHCSSA-N 465.509 5.147 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 59304196 WMQPFDLXXWCEJE-APTWKGOFSA-N 491.635 7.072 50 40 JKGB Brc1cccc(P(c2cccc(Br)c2)c2cccc(Br)c2)c1 95470394 VRKKRDCYNAXZRC-UHFFFAOYSA-N 498.980 5.732 50 40 JKGB Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 102580999 WUUUBJHZSSYCKA-HSZRJFAPSA-N 478.017 6.598 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 209488224 SDSWSBVTCPWSJV-CIAFOILYSA-N 466.350 6.939 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(I)c1OCC 408580205 BFARDJGRBKARMG-CXUHLZMHSA-N 479.314 5.170 50 40 JKGB CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(OC)cc1 408582082 LRFNWMUDHYASIJ-OQLLNIDSSA-N 451.158 6.073 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccc(C)cc3)n2)c1O 408724891 MTHHQBBOIUDXFL-UXHLAJHPSA-N 476.536 5.479 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408746621 UCYMUJZVRWJFTA-YVLHZVERSA-N 487.770 6.780 50 40 JKGB CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(Br)cc1 408755371 NCYGWYPYTOIXCW-LCYFTJDESA-N 450.130 5.156 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1)Nc1ccc(Cl)cc1 408759595 HQLOJECHXGXJLZ-LQKURTRISA-N 457.917 5.275 50 40 JKGB O=C(Oc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1)c1ccc(Cl)c(Cl)c1 408763803 KIJCQUFGWHOMND-RWPZCVJISA-N 463.320 6.130 50 40 JKGB CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1 408779565 YOKLCUKOXCLVSB-GRSHGNNSSA-N 483.793 6.266 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 408789753 KVQOEMXEGDWSEU-LICLKQGHSA-N 487.770 6.780 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2Cl)cc1C 408800299 LSCWNYLWFRFVQE-SRZZPIQSSA-N 465.380 7.043 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(Cl)cc2Cl)cc1 408816866 UVLSZGJJMJAQLJ-WOJGMQOQSA-N 483.351 6.135 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc([N+](=O)[O-])cc1 408849636 XWTVZLCYTJDFDW-YUMHPJSZSA-N 455.470 5.412 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Cc2ccccc2Br)c1 408869336 BYSSGPXUTASMCO-FYJGNVAPSA-N 461.359 5.903 50 40 JKGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 408877029 SILQIINRNHTNPR-RDRPBHBLSA-N 490.991 5.467 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Br)c1C 408886119 DMQCMXGMNVFADU-UDWIEESQSA-N 495.804 6.844 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1cc(C)cc(C)c1 408890221 PVROAUFVNKQVIL-YDZHTSKRSA-N 474.988 6.789 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)c(C)c1 408894090 IWJWBDFJYZHELI-XQNSMLJCSA-N 466.968 7.235 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OCc1ccccc1C 408922570 FFGKCPQHSALRPB-UDWIEESQSA-N 490.943 5.870 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccc(Cl)c(Cl)c1 408922798 GPMMPZLMENGSLY-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB CCOc1ccc(Br)cc1/C=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12 409042655 XIGYKHTVNAGJOC-YUMHPJSZSA-N 474.358 5.827 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 409193775 LPKXMVUEBUNTBC-XODNFHPESA-N 470.787 6.722 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccccc1F 409212967 SOHSTMCEMRGCMX-ODLFYWEKSA-N 497.320 6.538 50 40 JKGB Cc1ccc(-c2ccc(/C=N\NC(=O)COc3ccc(-c4ccccc4)cc3)o2)c(Br)c1 409237135 JJTXMUZFKAILRL-NTFVMDSBSA-N 489.369 6.214 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1OC 409334333 KXPUQSSNXARXBM-DXJNIWACSA-N 498.579 5.989 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(C)c3)C(=O)N2c2ccc(F)cc2)cc1 935081 DOAURYFCWSQWJI-NLTRVXJZSA-N 471.557 5.508 50 40 JKGB CCOc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cn3)C3=C2C(=O)CC(C)(C)C3)cc1 1436415 QQJWBYCQQBGNPO-JOCHJYFZSA-N 493.405 5.184 50 40 JKGB CC(C)(C)[C@H]1CCc2c(sc3nc(NNC(=O)c4ccccc4)n(-c4ccccc4)c(=O)c23)C1 2183465 KRXQDXAEVLYQSK-SFHVURJKSA-N 472.614 5.355 50 40 JKGB Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c1 3060879 NNGJUTNFSYZWAX-FZEGLUMNSA-N 474.604 6.339 50 40 JKGB N#C/C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)Nc1ccc(F)c(Cl)c1 3355221 BZWSXWLXTLYHQN-HEHNFIMWSA-N 467.931 7.495 50 40 JKGB C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1cccc(NC(=O)C(C)(C)C)c1 8454706 ASUWXGAAWNZBMM-DPNNOFEESA-N 499.014 6.694 50 40 JKGB C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1cccc2ccccc12 9008941 SDQFUOFSEAMWOK-ZCTHSVRISA-N 499.039 6.524 50 40 JKGB COc1ccc(N2C(S)=C(C#N)C(=O)N[C@H]2c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 12042987 TXSVURPLDXSPPN-HXUWFJFHSA-N 471.460 5.274 50 40 JKGB CCOc1ccccc1OCC(=O)N/N=C/c1cc(/N=N/c2cccc3ccccc23)ccc1O 20100908 NKHCFMNAVFWUNH-UMJYARSTSA-N 468.513 5.889 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(OCC)c2)cc1 20197989 DCFBRBBMGGPMEZ-RDRPBHBLSA-N 457.530 5.089 50 40 JKGB CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C(\C#N)c1nc2cc(C)c(C)cc2[nH]1 33784923 IRCIOHYYOIBGSQ-WYMPLXKRSA-N 451.614 7.110 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1cccc(F)c1 58871572 KPJHEGVVUQTFRM-MZJWZYIUSA-N 472.969 5.699 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)cc1 58913463 RBMOYTBPFYQHII-NDZAJKAJSA-N 496.567 5.374 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 59201073 APYJRDDYOILMBQ-ZDLGFXPLSA-N 471.771 7.080 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59249333 OGKRBBZVUSDFLS-YBEGLDIGSA-N 454.313 5.645 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1 59291906 SYPKYMLSFBWQKC-HYARGMPZSA-N 460.961 6.480 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 59297209 SHILXIDWGBDWNS-WOJGMQOQSA-N 494.809 7.504 50 40 JKGB Cc1ccc(-c2ccc(/C=N\NC(=O)c3cccc(I)c3)o2)cc1Cl 71335847 GDYIJPZNPDMVOZ-JJFYIABZSA-N 464.690 5.277 50 40 JKGB Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(O)CCCC3=N2)c1 102603183 CXPJMIFXKGDLBW-DEOSSOPVSA-N 478.017 6.598 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCC(=O)O 408553081 WYPSHGUKKOCRMW-OCKHKDLRSA-N 452.304 5.529 50 40 JKGB CCOc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)ccc1OCc1ccc(Cl)cc1 408606488 MDBMLZYGZNFGAK-HXUWFJFHSA-N 493.991 5.122 50 40 JKGB O=C(NNc1ccc(OCc2c(Cl)cccc2Cl)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 408610351 TVNQCJYVXHNNFF-MRXNPFEDSA-N 470.356 5.069 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1Cl 408691502 AXZAZTBQKIKPNL-KBKYJPHKSA-N 494.220 5.726 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)Nc1ccccc1Cl 408797705 SZNJEWOUDSYPMZ-XQNSMLJCSA-N 461.952 7.042 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)c1 408810889 QFMQDJIIUSRVPB-YBFXNURJSA-N 481.777 6.536 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)n1-c1ccc(Cl)cc1 408925189 QKUGRWWERCRDIE-MHWRWJLKSA-N 455.301 5.855 50 40 JKGB Cc1c(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c2ccccc2n1Cc1ccccc1C#N 409017998 OUDDZANITURCJC-MNDYBZJGSA-N 466.928 6.033 50 40 JKGB O=C(N/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cc(-c2ccccc2)nc2ccccc12 409035604 JNZDVUVJABRIPB-UHBFCERESA-N 486.358 7.233 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)cc2c1 409183598 DSQONGRYRQNKJU-WKIKZPBSSA-N 470.356 6.310 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 409189547 QHWBSPFIEAIZSA-PGMHBOJBSA-N 486.597 6.119 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1cccc(F)c1 409191261 FQMQEEIDSLJZAZ-ZDLGFXPLSA-N 487.369 5.532 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(Br)c2ccccc12 409194337 KCWGVVQNMAGUIQ-UMSHPIDHSA-N 478.390 5.212 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 409195676 ROCKKOJZWQAEJQ-WYMPLXKRSA-N 488.725 5.354 50 40 JKGB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cccc2ccccc12 409219340 LKEAJALHYAIQIQ-ZWENPOLKSA-N 499.910 5.784 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 409259710 CZWPOBCSWNPFPF-WKIKZPBSSA-N 486.355 5.092 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Cl)c(C)c1 409267446 UVCRDFGUYMSMNU-BKUYFWCQSA-N 473.960 5.828 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)ccc1OCc1cccc2ccccc12 409361590 SUJNPQKGAHBNSP-KBVAKVRCSA-N 471.532 5.519 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)ccc1OCc1ccc(Cl)cc1Cl 409370013 JKQAQYMBAPPYIP-CCVNUDIWSA-N 478.420 5.344 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)sc(C)c1C 2358435 YIFKVTVUXHAVPO-NTEUORMPSA-N 489.380 6.654 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(I)c3)c2C)cc1 4047737 LRICHLZWNMUDQB-PDGQHHTCSA-N 497.336 5.253 50 40 JKGB COc1cccc(/C(C)=N\NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)c1 8837916 JGBFYUYMBKSNIM-XYGWBWBKSA-N 494.667 5.625 50 40 JKGB N#CC(C#N)=C(C1=C2C=CC=CN2[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1 8844861 XYBATOCFWBCVRD-DGPALRBDSA-N 485.974 6.829 50 40 JKGB N#CC1=C(SCc2ccccc2Cl)NC(=O)C[C@@H]1c1ccc(OCc2ccccc2)cc1 9014871 CRXDOIFCNUBIHD-JOCHJYFZSA-N 460.986 6.191 50 40 JKGB O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccc(Cl)cc1 9057358 DUYGHDONLLDROG-RREIPUBJSA-N 477.027 6.849 50 40 JKGB Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccc(F)cc3)C2=O)c1 9909851 BWCHIACLJKCYLW-YDYXIROLSA-N 457.530 5.199 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)C(C#N)=C(SCc2cccc3ccccc23)N1 12632966 SLHMOTMCVUWXAX-UHFFFAOYSA-N 479.649 7.275 50 40 JKGB CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=N/NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1 15911660 BNOCNIRXTZIFLJ-WXPHZZMPSA-N 462.663 6.430 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1Cl 20922179 ZWUILFQWFCHYKY-CPNJWEJPSA-N 475.932 5.220 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl 28216505 ODSOBWYLCIWBMX-ZXGJNYTGSA-N 480.848 6.685 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1F 33573000 VXDCSBJARQAESZ-SXGWCWSVSA-N 487.712 6.793 50 40 JKGB COc1cc(COc2ccc(/C=N\NC(=O)c3ccccc3)cc2)ccc1OCc1ccccc1 33736437 VVRAHRXLFYAILY-FSGOGVSDSA-N 466.537 5.617 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 59116934 FBGUZQVEGOBGMS-WOJGMQOQSA-N 453.325 6.127 50 40 JKGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 59336468 MPVTWAXQKUKSSM-ZROIWOOFSA-N 494.172 5.712 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1cc2cc(Br)ccc2o1 59417791 WSMDETDLQKANDQ-FOKLQQMPSA-N 488.135 5.982 50 40 JKGB O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccc(CSc2ccc(Cl)cc2)cc1 59473620 WTDNJOVMVYTUJL-MUFRIFMGSA-N 456.998 6.648 50 40 JKGB FC(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103528791 JYJHRRCILRYNGT-UWTATZPHSA-N 491.988 5.846 50 40 JKGB COc1ccc(C[C@@H](C(=O)N/N=C/c2ccc(N(CCCl)CCCl)cc2)c2ccccc2)cc1 104049631 MRFYCXGEJGKZQJ-PLUOQXPISA-N 498.454 5.456 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc2ccccc2c1 408541992 ITLJSINIFOXAMD-CFRMEGHHSA-N 469.924 6.843 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 408570766 YGMZKJWBTCUPRD-MTJSOVHGSA-N 498.514 6.381 50 40 JKGB CC(C)(C)N(C=C(Cl)Cl)C(=O)N/N=C(\COc1ccccc1)c1ccc(Br)cc1 408734034 FAWDTJCMQWNIHM-XIEYBQDHSA-N 499.236 6.319 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 408744807 NBVYWUSSXRWEBF-UNOMPAQXSA-N 480.923 6.011 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(I)c2)c(C)n1-c1ccc(Cl)cc1 408781242 BODXJXSVSRWYBJ-FSJBWODESA-N 477.733 5.116 50 40 JKGB N#C/C(=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 408787163 SSIXXGKYNHTUKS-HKWRFOASSA-N 473.359 7.271 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1F 408794224 IIVASTXZPRCJGP-VXLYETTFSA-N 499.369 6.964 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408798702 WOHUFXBKFSMXEE-RQZCQDPDSA-N 457.744 6.771 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 408801728 BFFTZQQEJPCQDQ-LFVJCYFKSA-N 466.968 7.180 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408807521 DAFSZRBFBWDWGH-CKMDTHJYSA-N 471.513 5.357 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408810421 JRWMRHOWRYIPOL-ULUBDBHXSA-N 495.790 5.437 50 40 JKGB CCOc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1 408847522 SPMAKNUXFXQVBC-JVWAILMASA-N 456.571 6.025 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1Cc1ccccc1Br 408868837 NNDPOEGIRQTAGX-UDWIEESQSA-N 495.804 6.638 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1Cc1ccccc1F 408871399 ZKURSAWREMDONE-UDWIEESQSA-N 492.934 5.801 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(Br)c2)c(C)c1 408883815 RBMFCSJRKRFWOV-CIAFOILYSA-N 463.350 6.342 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1cccc2ccccc12 408886791 MCGOWQPYFJNRCR-DEDYPNTBSA-N 487.342 6.911 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1Br 408897705 SQELRYDIHYDBOI-RCCKNPSSSA-N 461.359 6.136 50 40 JKGB CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c1C 408960367 LFWQEPOJSIUXQY-DXJNIWACSA-N 465.597 6.161 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(C)cc2)cc1 409042226 BWXGZUAYWBONHD-YBFXNURJSA-N 467.352 6.435 50 40 JKGB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1 409224087 KFOHYRYGPFYKGA-KSMGQTSXSA-N 473.743 6.030 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(F)cc2)cc1OCC 409317370 PZEJIRDUXLSOBY-QRQIAZFYSA-N 450.510 5.356 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(Br)c2)cc1OC 409318054 SSZOQJPEZJWDAT-YUMHPJSZSA-N 497.389 5.589 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 409375360 JOXXEBYOVWIFGI-UYRXBGFRSA-N 477.923 5.605 50 40 JKGB O=C(c1cccs1)N(NC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1 1501586 WWEFOGZIIJMVKC-UHFFFAOYSA-N 497.403 5.669 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 2098270 RWRJRJAXAAZVLF-YCPBAFNGSA-N 484.290 5.547 50 40 JKGB Cc1ccc(C)c(N/C(SCc2ccccc2F)=C(/C#N)S(=O)(=O)c2ccccc2)c1 2689759 JOBWFJQDBKKLLW-WCWDXBQESA-N 452.576 5.954 50 40 JKGB FC(F)(F)c1cnc(-n2c(CBr)c(Br)c3ccccc32)c(Cl)c1 3048754 PKQQXPWLPWNTTQ-UHFFFAOYSA-N 468.498 6.355 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3cccc4ccccc34)c2C)cc1 9259298 DIZJMYSVXBVADG-MIXAMLLLSA-N 453.542 5.117 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(I)c3)c2C)cc1 9310798 XUJXYUOTIFIJOO-MOSHPQCFSA-N 495.364 5.807 50 40 JKGB C/C(CC(=O)Nc1cc(Cl)cc(Cl)c1)=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 9805524 UQHLBYDKVDJZLY-DLDHGHKKSA-N 477.175 5.588 50 40 JKGB COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 9934812 JWKLZLWVKBLNLK-XODNFHPESA-N 486.355 5.092 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1F 12596080 JMKTXHWATVDHEI-LTGZKZEYSA-N 498.533 6.542 50 40 JKGB Cn1c(SCC(=O)N(/N=C/c2ccccc2)c2cccc(C(F)(F)F)c2)nnc1-c1ccccc1 13524487 KITSJOMESIHXOS-MUFRIFMGSA-N 495.530 5.660 50 40 JKGB CCOP(=O)(OCC)/C(C#N)=C\c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 17256873 GPVIEPUQMRVGEW-YBEGLDIGSA-N 467.302 7.115 50 40 JKGB CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc1OC 33516523 BLFFFPYVIHXTHL-UWSVQNCHSA-N 466.965 5.722 50 40 JKGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(OC)c(OCc2ccc(Cl)cc2)c1 35384668 PNPTYPZGILKOSZ-WQRHYEAKSA-N 493.903 5.390 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc(I)cc2)cc1)c1cc2ccccc2o1 36477504 BULXGUXKWLIPJK-QFEZKATASA-N 496.304 5.380 50 40 JKGB CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H](SC#N)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118932542 OZCSWRIJMBFXQD-QXGZIOPJSA-N 485.778 8.152 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408527202 FKDHUNKKOMBCTP-NSKAYECMSA-N 466.803 5.089 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccccc1F 408541500 GMOVLMREMUTJNH-GRSHGNNSSA-N 494.906 5.701 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 408544688 WQXTXKNIJJKMLC-OEAKJJBVSA-N 494.595 6.277 50 40 JKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 408599624 XTNBWOCUHIPQKS-JVWAILMASA-N 465.391 6.090 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2Cl)N2C(=N1)SC(C#N)=C2N 408603640 GNHFIAKDYYDZAL-GOSISDBHSA-N 456.358 5.017 50 40 JKGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 408610556 ODKXYDTXIMDLBD-RWPZCVJISA-N 498.366 5.226 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Br)c2)c(C)c1 408792344 AWFZEAZCMIEBLS-FYJGNVAPSA-N 461.359 6.191 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)c1Cl 408807169 CGNVXZVFCNBSPE-LFIBNONCSA-N 498.366 6.669 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc2ccccc2c1 408820110 TZXUFASFTFGHFX-MIXAMLLLSA-N 488.587 6.379 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4c[nH]c5ccccc45)cc3)cs2)cc1 408846916 RUOLNPILFSSWBI-RWPZCVJISA-N 451.555 6.107 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408848085 PKMUHHVRGQPOJK-VXLYETTFSA-N 485.798 7.388 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc([N+](=O)[O-])c1O 408851564 LEIVQUXRKDCTDM-WOJGMQOQSA-N 493.903 5.477 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1OC 408858615 QUZJYMIWJKSKFQ-RHANQZHGSA-N 473.960 5.887 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(Cc2ccccc2Br)c1 408878149 XACWAHRWZDLIIG-XDHOZWIPSA-N 465.322 5.733 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 408897807 UDCMLJQSUBVVBA-CAPFRKAQSA-N 486.524 5.601 50 40 JKGB Cc1cccc(C(=O)Oc2ccccc2/C=C/C(=O)Oc2ccccc2/C=N\NC(=O)c2ccco2)c1 409009357 DOXRCRMOVSPNLL-QLLPQLFKSA-N 494.503 5.190 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1C#N 409054198 SKJHWILYDNDDHL-XODNFHPESA-N 468.340 5.525 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OCC)c1OCc1ccccc1F 409072166 IXDVNORYTDXWIJ-PXLXIMEGSA-N 474.507 6.217 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1F)c1ccccc1 409250016 VTJJAYNTJGPTSD-WBRURWICSA-N 479.349 5.952 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1cc(C)ccc1C 409273238 WNFICZGKUBYMOO-NDENLUEZSA-N 489.959 5.529 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(OCC)c2)cc1OC 409322486 XTWOJWSHRFDXKR-VEILYXNESA-N 460.530 5.002 50 40 JKGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(COc2ccc(Br)cc2)c(C)cc1C 648390 KRDPFWJDDISJOK-QHCPKHFHSA-N 497.389 5.290 50 40 JKGB COc1ccc2c(Cl)c(C(=O)NNC(=O)c3ccc(NC(=O)c4ccccc4C)cc3)sc2c1 674912 VDHZVRLQBBFOLK-UHFFFAOYSA-N 493.972 5.199 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)ccc1OCc1ccccc1 2176536 YEJRYMFNORUWRX-JFLMPSFJSA-N 469.006 5.701 50 40 JKGB Cc1ccc(Oc2ccc(N3C(=O)[C@H]4C[C@@H](Br)[C@H](Br)C[C@@H]4C3=O)cc2)cc1 4179258 YFBVFRGPUZJOKR-INDMIFKZSA-N 493.195 5.214 50 40 JKGB Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 9200684 LHFLHQXKVHBFCW-DHRITJCHSA-N 457.755 5.754 50 40 JKGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1ccc(I)c(O)c1 9259285 YTDPDUUJJNYVBT-UFFVCSGVSA-N 498.729 5.158 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C(C)C)cc3)C3=C(CCCC3=O)N2)cc1C 13174824 VETOGVDDOKTSMF-HHHXNRCGSA-N 485.653 6.228 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccc2ccccc2c1 13661913 VMVKKTZGZXXQDL-OFWBYEQRSA-N 491.620 6.028 50 40 JKGB Cc1nc2ccccn2c1C(=O)N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 25423235 DNGXMOKYSDRHOI-AJBULDERSA-N 469.548 6.018 50 40 JKGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 32520531 JNTYZAIPBCMODI-DHRITJCHSA-N 450.951 5.038 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 33667145 LRSKUSIQCFMMOE-YBEGLDIGSA-N 471.429 5.553 50 40 JKGB CC(C)(C)c1cc(CCC(=O)NNC(=O)c2ccc(Br)cc2)cc(C(C)(C)C)c1O 34955841 WZOANMBJQASBGF-UHFFFAOYSA-N 475.427 5.144 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1cc(Cl)ccc1Cl 59117360 CDTNOTGDQHNWNX-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)cc1 59255475 UNRJJPBAMCEUQW-GZTJUZNOSA-N 477.860 5.022 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1cccc(C)c1 59335735 RUZWDNBRJKDBKR-ONUIUJJFSA-N 466.581 6.555 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)c1 59432973 MJPSQOUKGMCSDI-WSDLNYQXSA-N 486.369 6.062 50 40 JKGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 83299679 IUDJXOYGQQBIMN-GCFUEJLLSA-N 488.415 5.764 50 40 JKGB CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(Br)c(Br)c2)cc1 216069218 JAGPCYJFDZYOSS-CIAFOILYSA-N 454.162 5.154 50 40 JKGB Cc1ccc(COc2ccc(/C=C(/C#N)c3ccc(C(=O)O)cc3)cc2I)cc1 408543197 NJKZBGCRGMOWRK-MTJSOVHGSA-N 495.316 5.941 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccc2ccccc2c1 408677646 TYPIRMFVQMABCD-AJBULDERSA-N 479.580 5.792 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C)c3)c(Br)c2)cc1 408747066 YXLZWBLZNFXLOA-MOSHPQCFSA-N 477.358 5.891 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccccc1Br 408763424 DRXCBWMDAOOQFC-UFFVCSGVSA-N 493.111 5.144 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(I)cc2)c1C 408781158 BAAYPQJQBVAPMA-ZHZULCJRSA-N 495.364 5.807 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1cccc(Cl)c1 408817494 VTKFMWLILXQRNO-YBFXNURJSA-N 467.352 6.517 50 40 JKGB N#C/C(=C\c1c(OCc2cccc(Cl)c2)ccc2ccccc12)C(=O)Nc1ccc(F)cc1 408859032 VLXKLXPHZCWYKI-HMMYKYKNSA-N 456.904 6.757 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1Cc1cccc(F)c1 408871907 ZIWAWMXGLAUNLQ-VCHYOVAHSA-N 497.339 6.262 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OCc1cccc2ccccc12 408889693 FUNPNRNGIYTDNU-WKULSOCRSA-N 479.363 6.498 50 40 JKGB N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408891584 SWLJMUIUOCATGI-FYJGNVAPSA-N 483.911 6.526 50 40 JKGB C=CCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2cc(C)ccc21 409041641 AXOCVWVVXFPXEB-DXJNIWACSA-N 458.565 6.423 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1OCc1ccc(C(=O)O)cc1 409069804 WUAYNHPTEBEAPJ-HYARGMPZSA-N 465.509 5.641 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1cccc(Cl)c1 409072096 BDINESSVBYUROQ-OEAKJJBVSA-N 474.944 7.019 50 40 JKGB Cc1cc(C)nc(Sc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2[N+](=O)[O-])n1 409142599 AZQYFFVNZXSWKV-MHWRWJLKSA-N 465.922 5.352 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccccc1C#N 409189133 DDJRBNZASGWVIY-JAIQZWGSSA-N 494.389 5.264 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)NCCCc3ccccc3)cc2Cl)cc1 409228810 FMVGAVNFJVUXRB-KQWNVCNZSA-N 487.987 5.322 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1OCC 409318087 STVLYSQCDSLPPE-MWLSYYOVSA-N 499.394 6.300 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3cccc4ccccc34)c2)cc1OC 409320143 PHFWJDHHPKYYCE-FSGOGVSDSA-N 468.553 5.980 50 40 JKGB CCc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 409362635 ITWAAPHKYWVPTP-YUMHPJSZSA-N 481.390 5.292 50 40 JKGB N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@@H]1c1c[nH]nc1-c1ccccc1 647877 XIQYCCDFOOEIPG-QFIPXVFZSA-N 475.474 5.400 50 40 JKGB Cc1ccc(C(=O)[C@H]2C[C@@H](Br)[C@H](Br)C[C@H]2C(=O)c2ccc(C)cc2)cc1 5085541 XZYYQGVVCUOYTR-IYWMVGAKSA-N 478.224 5.922 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccccc1 9019494 QEQGUAHMJYJKQO-LFVJCYFKSA-N 464.641 5.616 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1nc2ccccc2[nH]1 11692824 BNCDHPOSCWCYJJ-UNOMPAQXSA-N 498.995 6.992 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OCc1ccccc1Cl 12586026 FNUVLHAOTMQFHA-CAOOACKPSA-N 487.770 6.780 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cccc(OC(=O)c2cccs2)c1 13943680 KESACKIHNUDWRW-WPWMEQJKSA-N 456.523 5.163 50 40 JKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1 16035411 ORYREUWHXUYVJT-IBBHUPRXSA-N 493.489 5.129 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1ccc(O)cc1 16311226 CSPHKZLILHTNKF-NLRVBDNBSA-N 463.607 5.097 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 16691722 QTYNVLZHMDSOTK-XMHGGMMESA-N 475.932 5.302 50 40 JKGB O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1cccc2ccccc12 19849132 QZTVGIACAKNORS-MWLSYYOVSA-N 485.012 6.134 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccccc2C)cc(Br)c1OCc1ccc(C)cc1 28217721 RYAREJFLXHIQKV-MZJWZYIUSA-N 497.389 5.183 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 33571291 UXVMMYVHSISGJI-WCMJOSRZSA-N 486.402 6.842 50 40 JKGB COc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)o2)cc1Cl 39383580 AEOGCJHWVHCLKL-YSURURNPSA-N 453.709 5.445 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1ccc(Br)cc1 59475355 FYFCYGSLEBNKJX-ZMOGYAJESA-N 488.179 5.555 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1 59536619 IFYQVEMDJFZEFH-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c1)c1ccccc1 96399871 DDYBXSYIBASVAM-GACXAEJYSA-N 474.564 5.255 50 40 JKGB O=C(NCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1 104170854 MIHZYEHMBJDJIO-UHFFFAOYSA-N 455.538 5.029 50 40 JKGB CC[C@H](C)Oc1c(I)cc(/C=C(/C#N)c2ccccc2F)cc1OC 107964913 HXGBCXRQGDUWMG-GRRFOWRYSA-N 451.279 5.680 50 40 JKGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)c1cccc(Cl)c1 408759740 KPWLLAIIRAGCKU-WGOQTCKBSA-N 464.930 5.025 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1cccc(I)c1 408766332 UKYUBBHXVMAHJM-QGOAFFKASA-N 494.288 5.056 50 40 JKGB C/C(=N\NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 408786150 FRJAARLBTTZDEI-AWUWXFTQSA-N 485.653 5.912 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(I)cc2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 408794144 HOVRUAUUFDFPFH-GXDHUFHOSA-N 485.237 5.005 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1C 408795203 BQUUQOHMRHYRRC-VXLYETTFSA-N 485.798 7.388 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)NCCc1ccccc1 408805921 IIUVNWUYQMQOBY-PXLXIMEGSA-N 461.359 5.294 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1ccccc1F 408816209 SWGYNKDSBVMTHC-BOPFTXTBSA-N 485.740 6.366 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OCC(=O)O 408853006 KKIZVQNHSTYKEQ-YKQZZPSBSA-N 497.551 5.079 50 40 JKGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408888267 YEYXUVUASCBTPX-YRNVUSSQSA-N 473.228 5.615 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1 408895902 OJJWJOMHMVEZSP-MZJWZYIUSA-N 473.356 5.500 50 40 JKGB O=C(N/N=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cc2cc(Cl)ccc2o1 409023909 MTGIDANKQROWEZ-MNDYBZJGSA-N 489.358 7.236 50 40 JKGB O=C(N/N=C\c1cc(/N=N/c2ccccc2)ccc1O)c1cc(-c2ccccc2)nc2ccccc12 409038354 OLROAGDSPIUCGJ-HMMCBFTQSA-N 471.520 6.787 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c(Cl)c1 409053837 QXSDIUMOBCYPRV-DHRITJCHSA-N 457.755 5.754 50 40 JKGB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)o1 409190278 RHMYMPWZKRSXOQ-MYKKPKGFSA-N 483.889 5.273 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2F)cc1OC 409321449 SVMLSZJKQVFTCB-MBTHVWNTSA-N 468.912 5.395 50 40 JKGB Cc1ccc(N2C(=O)[C@@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 1887981 GESKCNIVNAMZBF-YMGIJWJESA-N 473.985 5.713 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3cccc(Cl)c3)N(c3ccccc3)C2=O)cc1 2354484 YSRYQYXAAXMSHR-GPSDDGMOSA-N 473.985 5.713 50 40 JKGB O=C(c1ccccc1O)[C@H](Br)[C@H](Br)c1ccc(Br)cc1 2570385 USHFJCAKMGBWRZ-ZIAGYGMSSA-N 462.963 5.237 50 40 JKGB N#CC(C(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)=C1Nc2ccccc2N1 3279265 BGGHDSBFCFNFAY-UHFFFAOYSA-N 480.911 5.554 50 40 JKGB CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)COc2ccc(Br)cc2)c1C 9261964 SIWNTUGWFHSVPK-VULFUBBASA-N 468.395 5.257 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccc(C(=O)O)cc1 9434962 WOONOFDEKJRIIQ-VULFUBBASA-N 498.008 5.044 50 40 JKGB CCOc1ccc([C@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc1OC 9693270 PNTKQPFDPYSQCU-GOSISDBHSA-N 469.994 5.275 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1 10476058 RQLABJDNHQZUDU-NDZAJKAJSA-N 452.554 5.819 50 40 JKGB CCCCOC(=O)c1cc(-c2ccc(/C=C(\C#N)c3nc4ccc(C)cc4[nH]3)o2)ccc1Cl 13602625 WABVJJNPAMCMHV-QGOAFFKASA-N 459.933 6.806 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1Br 16226549 IIPMMTOFYBODNG-AFUMVMLFSA-N 469.404 5.655 50 40 JKGB O=C(CSc1cccc2ccccc12)N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 16545070 DUFKLSVUHBMGSD-JVWAILMASA-N 471.538 5.569 50 40 JKGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)[C@@]1(C)CC[C@@H](c2nc3ccccc3[nH]2)C1(C)C 22704667 CBYGKVKPYJMJIG-BNGVSNCRSA-N 468.605 5.426 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1ccccc1Cl 28216876 BBOUXXMXVPLSBK-STBIYBPSSA-N 474.029 6.804 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 33614241 MEOGMFJFCNDFTH-MBTHVWNTSA-N 476.620 7.324 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 33684559 XVHANKWFQURFFU-VYYCAZPPSA-N 471.340 5.684 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccc2ccccc2c1 33743773 PWFNHBXLXBRODT-UCQKPKSFSA-N 453.372 8.214 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccccc1Cl 59117220 ZOLDUFIQYVUAMU-LDADJPATSA-N 467.750 6.227 50 40 JKGB Cc1cccc(OCC(=O)N/N=C/c2cc(/N=N/c3cccc4ccccc34)ccc2O)c1C 102508666 DRFQZSNMPTUNRF-HOEVZMQCSA-N 452.514 6.107 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)c1ccc(C(=O)O)cc1 408543345 QJMAHSUUGWOHEZ-UNOMPAQXSA-N 477.314 5.229 50 40 JKGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Cl 408570684 XOGSRVHVALNDCG-MMTYYTLLSA-N 465.040 5.525 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1ccc(Br)cc1 408788757 FYRYNUGBUNERNC-QGOAFFKASA-N 490.788 6.651 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 408807639 DOQRNLPZGSLDET-OVCLIPMQSA-N 463.759 5.754 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(Br)c1OCc1ccccc1 408810178 JBWHIMZKXHXAGY-BKBFXEPMSA-N 483.406 5.639 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(OC)c2)cc1 408811863 RWZYFXRMSCSXJG-OEAKJJBVSA-N 470.525 5.223 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccccc2)c(Br)cc1OCc1ccccc1 408852599 LSKXPNOTCDTONT-QQXSKIMKSA-N 467.363 5.120 50 40 JKGB O=C(Oc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1Cl)c1ccccc1 408889524 DPPAYWOZMHPVEZ-KBKYJPHKSA-N 482.150 6.283 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1C(=O)O 408892714 CPRWIEXSSXYPBW-GZTJUZNOSA-N 467.308 5.816 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 408897079 VGDBSLPTQWSCOM-GZTJUZNOSA-N 477.860 5.022 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1Cl 408897779 TZKICZNZGJAUHH-NTEUORMPSA-N 499.266 6.148 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc1 409010129 DNNMKSNYTZGGPH-DXJNIWACSA-N 493.563 5.209 50 40 JKGB CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 409054896 HDAPDQGVFKAQGE-CXUHLZMHSA-N 492.211 6.163 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OCC)c1OCc1ccc(C)cc1 409075095 UGXIWYPPBKYAPM-YZSQISJMSA-N 466.581 6.555 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Cl)c1OCc1ccccc1Cl 409095640 IEGSTTGFKRTEKG-HSZRJFAPSA-N 497.334 5.528 50 40 JKGB Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc5c(cc43)OCO5)cc2Br)cc1 409104324 CVIYRAZYBKVQBO-DEOSSOPVSA-N 491.341 5.283 50 40 JKGB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2ccc(Cl)cc2)nnc1-c1ccco1 409191808 NTUAUTSWEDFFDC-ZMOGYAJESA-N 496.936 5.035 50 40 JKGB O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1 669543 QFCXFXOBNOTGQM-LGJNPRDNSA-N 493.313 5.236 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)cc1 2404927 HBCOATTVSNMQPB-LTGZKZEYSA-N 494.551 5.356 50 40 JKGB CCOc1ccccc1N1CSC2=C(C#N)[C@@H](c3c(OC)ccc4ccccc34)CC(=O)N2C1 6578033 KWOIAHOMVVAFQW-FQEVSTJZSA-N 471.582 5.467 50 40 JKGB aggregator CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3[nH]2)cc1Cl 8771131 ZSLBAAKFNCBEMA-HKWRFOASSA-N 479.971 6.922 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 8781197 LDNLSCAYMQHDFU-PDGQHHTCSA-N 463.921 5.390 50 40 JKGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 8809547 JCCISLCQAMYMMG-IPPBACCNSA-N 490.346 5.872 50 40 JKGB C=CCc1ccccc1OCCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1 8842890 MJJQSFFXHFICKZ-OVVQPSECSA-N 479.374 5.399 50 40 JKGB CCc1ccc([C@@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)cc1 9693153 FGJRUWLOXPYEFT-IBGZPJMESA-N 454.393 5.231 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(SCc2ccccc2)N1 13018453 SQSCUINWAVXDHT-VWLOTQADSA-N 482.565 5.863 50 40 JKGB N#CC1=C(N)O[C@@H]2[C@@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl 16488884 HUXGBZDILHAPAC-GPMSIDNRSA-N 453.251 5.182 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)cc1 20198103 UYPQOSWHBMTYTE-STBIYBPSSA-N 459.977 6.204 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 59117227 KBPVDTGVTSRTMH-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)cc1 59335451 HQFWRUUNVXVTMX-ITYLOYPMSA-N 461.565 6.527 50 40 JKGB CCCCOC(=O)CSC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 100882065 IBEZGJMXPABSJP-IBGZPJMESA-N 465.402 5.499 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1cccc(F)c1 408543946 UALLXGXKAKUPHY-JMIUGGIZSA-N 496.332 6.328 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1nc2ccc(F)cc2[nH]1 408568716 WGVQCLKFSXDILC-UUASQNMZSA-N 456.279 6.791 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 408747400 NIFIGOWDDZZAQO-ONUIUJJFSA-N 479.555 6.036 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)sc2c1CCCC2 408775365 SKZKEMFTTHBISH-STZFKDTASA-N 473.598 5.044 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1cccc([N+](=O)[O-])c1 408795678 MFRRHWXNVBLHMG-XDHOZWIPSA-N 477.904 5.772 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)Nc1ccccc1Cl 408799656 ZWBAMBKBGHDJPV-QGOAFFKASA-N 490.788 6.651 50 40 JKGB Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1C 408800225 NYMDCJDRAXLPSH-UDWIEESQSA-N 495.804 6.844 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccc3ccccc23)cc1 408803069 KXTZMSANUOCCSG-LFVJCYFKSA-N 492.531 5.760 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(OCc2ccc(Br)cc2)c1 408815354 RCXSKVJXTAFCTR-FYJGNVAPSA-N 491.385 6.199 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(I)c1OC(C)C 408816245 RHCZPRBQNJGRAC-VGOFMYFVSA-N 496.732 5.286 50 40 JKGB CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 408881194 KEMOWEWKOOSFAI-LFYBBSHMSA-N 487.124 5.542 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1cccc(C(F)(F)F)c1 408965603 WGMKCAZVMVJVEI-UVHMKAGCSA-N 477.280 5.811 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)c(C)c1 409041038 HZMAUCWPMUCHLX-VXLYETTFSA-N 469.343 6.874 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)cc1 409044936 DMCXFCQMGGZNNC-LICLKQGHSA-N 471.315 6.266 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Br 409053258 BNCPIHJAEAYLHQ-OQLLNIDSSA-N 478.184 5.855 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccncc2)c(Br)cc1OCc1cccc2ccccc12 409078202 HIPWTENPWAOOFV-MBTHVWNTSA-N 490.357 5.349 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409191339 WEIJRFIIHAALNL-RPPGKUMJSA-N 473.312 5.043 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1OC 409319324 DLSGTEDUISWUCW-MBTHVWNTSA-N 485.367 5.910 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)nnc1-c1ccc(C)cc1 1831270 RGTMEDRWWYJKSK-STBIYBPSSA-N 479.609 5.822 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cc(-c2ccccc2)nc2ccccc12 2229464 CFSQJOPJXNQWTP-AJBULDERSA-N 457.533 6.245 50 40 JKGB COc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Cl)c1OCCOc1ccc(C)c(C)c1 4207697 HYECDEVJDBWSAH-JVWAILMASA-N 467.953 5.579 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccccc1 8812838 MSIXHKSIYWRALU-DHRITJCHSA-N 473.754 5.454 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1OCc1ccccc1Cl 12585718 FVWCBROJDOOISH-LDADJPATSA-N 486.877 6.492 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)c1nc2ccccc2s1 12658716 WLNKUEYWQIKZGX-GHRIWEEISA-N 461.340 6.342 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1cccc2ccccc12 13388128 YUMDRZNITHKNBS-YZSQISJMSA-N 476.576 6.980 50 40 JKGB O=C(NN=C(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1)c1cccc(Br)c1 14920767 RJVBBNOGZUTLIF-UHFFFAOYSA-N 476.201 6.327 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3C(=O)OC(C)C)c2C)cc1 20197770 GCGCSEFGXYASQZ-OGLMXYFKSA-N 461.562 5.212 50 40 JKGB CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1 20347883 DZRJEEFOWXADIX-AREMUKBSSA-N 498.608 5.603 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccccc2Br)c2ccccc2n1Cc1ccccc1C#N 20761127 PKBIBBOQWDYQIY-RWPZCVJISA-N 471.358 5.396 50 40 JKGB CCc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 31871108 HCVLRVFCICANGL-PKAZHMFMSA-N 455.587 5.048 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCc1ccc(Cl)cc1 33386695 WAXYAPKOHXMBSL-MOSHPQCFSA-N 456.929 6.507 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(I)cc1 33737221 NPTOTHNLLWDQQT-AQTBWJFISA-N 467.310 5.244 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1OC 38688607 KWCJRXJESPOVHA-AREMUKBSSA-N 496.519 5.504 50 40 JKGB Cc1ccc(C)c(OCCOc2ccc(/C=C(C#N)/C(O)=N/c3nc4ccccc4s3)cc2)c1 41108887 ODVCVMYCEFACLO-LTGZKZEYSA-N 469.566 6.566 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl 58871227 OUGHVYCPCGDTDG-LGJNPRDNSA-N 487.781 5.762 50 40 JKGB O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 58914774 OUFMXWGOQVHYBI-NTFVMDSBSA-N 473.916 5.268 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)c1C 59202119 LGORIXPSHYUPPY-KGENOOAVSA-N 461.359 6.191 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)c(Cl)c1 59224868 NTGGHMOIYDNICJ-RQZCQDPDSA-N 498.322 6.035 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 59335653 ZLUQFEYAGMZVDY-HAHDFKILSA-N 453.498 5.756 50 40 JKGB CC(=O)Oc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 59336026 IXSBGNXGSOZCOC-PDGQHHTCSA-N 468.340 5.872 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccccc1F 59536329 RWGBAUVPKUJULG-UDWIEESQSA-N 464.924 6.311 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1cccc(C(=O)O)c1 59678330 WDSPQVVJDIAROT-RPPGKUMJSA-N 473.312 5.043 50 40 JKGB CCCCCCCC[C@@H](Br)[C@@H](Br)CCCCCCCC(=O)OC 100051952 QNMTXFWVHQDSNR-MSOLQXFVSA-N 456.303 7.168 50 40 JKGB CP(I)(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1 103835680 BPTHCFBWOUNCBG-UHFFFAOYSA-N 452.228 6.502 50 40 JKGB Clc1ccc(NP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 104111322 IRYHBWKFTNJWNA-UHFFFAOYSA-N 468.762 6.507 50 40 JKGB CC(=NNC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 252428211 UQTQRZQOZZQEEH-UHFFFAOYSA-N 457.155 5.015 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Cl 408586231 MBBMHCHPHGETES-ODLFYWEKSA-N 458.772 7.689 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccccc1[N+](=O)[O-] 408599581 WTQPBIAGAKCQLJ-RPPGKUMJSA-N 467.312 5.669 50 40 JKGB Cc1cccc(COc2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)cc2Br)c1 408678530 ZXJKYOZDGRXCAI-OGLMXYFKSA-N 492.417 5.701 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Br)cc2)c1C 408781179 BFMLEPAYWLTDCS-WQRHYEAKSA-N 468.782 6.364 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl 408793057 CUTGCPOGFXCIBI-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OCc2ccc(Cl)cc2)c1 408807449 CYDDCDIYANVLOW-LDADJPATSA-N 453.325 6.127 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(C)c(C)c1 408810873 UXUHIDXSNZGZAH-UFFVCSGVSA-N 495.406 7.052 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(Br)c2)ccc1OCc1cccc(C(=O)O)c1 408850147 GVRBAOBZRHNRBP-JMIUGGIZSA-N 464.315 5.799 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(OC)c1 408884688 UVWLOVGHTWQGKJ-RGVLZGJSSA-N 481.379 6.689 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c1OCc1ccc(Cl)c(Cl)c1 408886928 KDEGJOFCUQNRRK-LDADJPATSA-N 497.334 5.825 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)c2nc3ccccc3o2)c1 409044446 CWVSQEQZGOEZGZ-LDADJPATSA-N 488.341 5.980 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Br)c(Cl)c1 409196167 ZGTFWOZEECQUGN-BHGWPJFGSA-N 465.178 5.927 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12 409214973 YYFCZHUJPDEGHD-MZJWZYIUSA-N 476.989 5.176 50 40 JKGB CCOc1cc(/C=C(\C#N)c2cccc3ccccc23)cc(Br)c1OCC(=O)OC 409321087 DMCWQPYAILDDQS-WOJGMQOQSA-N 466.331 5.617 50 40 JKGB Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc2ccccc2c1 4047962 HTCWXVPKGSSAAB-RUMWWMSVSA-N 473.576 5.634 50 40 JKGB COC(=O)c1c(NC(=O)c2nc(SCc3ccccc3)ncc2Cl)sc(/C(C)=C/C#N)c1C 8867570 CETXZNZTXRDHHS-UKTHLTGXSA-N 499.017 5.758 50 40 JKGB CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N/N=c1\cc(C)c2cc3c(cc2o1)OC1(CCCCC1)CC3 9531698 VWBLBGJUDGGAAQ-UJZDEDLLSA-N 483.609 5.004 50 40 JKGB Cc1nc2ccccc2n1CC(=O)N/N=C/c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 9716318 CLPFIEKRNPIXDR-UVHMKAGCSA-N 480.355 5.054 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(SC(F)F)cc2)o1)C(=O)Nc1nc2ccccc2s1 15906683 OWCDZDIACGILPO-SDNWHVSQSA-N 453.495 6.417 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccccc3Cl)n2-c2ccccc2)cc1 19800136 ONJLEVGWBWLYCF-YSMPRRRNSA-N 461.978 5.139 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)ccc2C)=C(C#N)[C@@H]1c1cccs1 20028751 DEKWTPFPUKVCRP-HSZRJFAPSA-N 479.627 5.162 50 40 JKGB CC(=O)Nc1ccc(/C=N\NC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)cc1 33404901 XUPADBORWNZTQP-WGARJPEWSA-N 454.502 5.467 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(OC(C)(C)C)cc3)o2)cc1 34702542 NNRKWYHRQCVICW-YKQZZPSBSA-N 485.584 6.207 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)c1C 59201477 RBTCNINMQCBHRO-KGENOOAVSA-N 461.359 6.191 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 59296916 IEYYUQDAOAJOCN-XSFVSMFZSA-N 451.353 6.680 50 40 JKGB Cc1c(/C=N/NC(=O)C2c3ccccc3Oc3ccccc32)c2ccccc2n1Cc1ccccc1 71335794 YDERHSGUJOAXCP-BIZUNTBRSA-N 471.560 6.386 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1ccc(Cl)cc1 408581567 XYFPTLARLPABOO-RCCKNPSSSA-N 474.785 7.899 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 408583374 UDDSKRHQVPPEEH-HZHRSRAPSA-N 470.366 7.254 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1OCc1ccccc1Cl 408725654 MAJHLPZSCORWKC-MOSHPQCFSA-N 468.778 7.144 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl 408743634 BPCHEEHHCYJBBW-YVLHZVERSA-N 487.770 6.780 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)NCc1ccccc1 408747710 RUMVGDZQYMXPGQ-GRSHGNNSSA-N 455.316 5.935 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1cccc2ccccc12 408772593 DGPFEKYPKJCVPO-MTJSOVHGSA-N 493.401 6.012 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(SCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)cc1C 408987408 AZUJWHNSOULLFG-DEDYPNTBSA-N 486.553 5.488 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccccc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 409044668 WPHAWWBFQSODAN-FYJGNVAPSA-N 491.385 6.238 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1cccc(Cl)c1 409076409 AFMVAKACKGKWLB-RIYZIHGNSA-N 499.266 6.148 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409259795 FODJXFLYXFLSAZ-UCQKPKSFSA-N 483.568 5.492 50 40 JKGB N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 2187797 AHXBYDUEZFTIRG-FQEVSTJZSA-N 478.301 6.317 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccc(O)cc1 2194034 XDVUZBYEZLXXNI-AFUMVMLFSA-N 469.998 5.052 50 40 JKGB Cc1ccccc1C[C@H]1S/C(=C(\C#N)C(=O)Nc2ccc(F)cc2)N(c2ccc(F)cc2)C1=O 2201926 GUIRNMQZTWFQSW-QPQMVVSWSA-N 475.520 5.338 50 40 JKGB N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(Cl)cc1Cl 2202096 AFEREZVBSWUBRG-NRFANRHFSA-N 459.336 6.064 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccccc2)c(Cl)c1 2776246 PCJXDTJBWBOYNF-DHRITJCHSA-N 473.754 5.454 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccc(F)cc3)Nc3c(F)cccc3[C@@H]2[C@@H]1Cl 8927709 VMVWNRGZUWPWQV-YMNDLRCVSA-N 472.944 6.912 50 40 JKGB Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccccc2)c1 9291230 YHISLHPHQMFWIM-CJLVFECKSA-N 478.552 5.142 50 40 JKGB Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(Br)cc4)CC(=O)N3C2)cc1C 9693389 QRLJFYGUNMXHMZ-LJQANCHMSA-N 454.393 5.285 50 40 JKGB C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccc(F)cc1 13686867 ZMWDWIMMBRMMQK-NTFVMDSBSA-N 466.969 5.510 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC 14151976 WLTPVHFVEMHPDH-OQLLNIDSSA-N 498.402 5.380 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3cc4ccccc4cc3O)c2C)c(C)c1 20243894 BLZGVAZITYKEJB-CCVNUDIWSA-N 490.401 6.096 50 40 JKGB C/C(=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C)c1ccc(NC(=O)C2CCCCC2)cc1 22562290 WGIAUKHWYMWUSI-GBSSGUAQSA-N 455.986 5.475 50 40 JKGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c1C 28216948 PQZGQRPUUHLSRM-FDAWAROLSA-N 481.665 6.908 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(F)cc1 33560213 LTEZESWWXBFRMS-LDADJPATSA-N 451.295 5.713 50 40 JKGB CCCCCOc1ccccc1CN1C(=O)/C(=N\NC(=O)COc2ccccc2C)c2ccccc21 46085003 VUZPDMYDAPATPX-PNOGMODKSA-N 485.584 5.010 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 59336334 USHXALDSZFWYSP-AQTBWJFISA-N 454.357 6.345 50 40 JKGB Cc1cc2c(cc1/C=N\NC(=O)COc1cccc(Br)c1)[C@H](C)CC(C)(C)N2C 208209323 ISALLMIDKIQMTI-UOKWBDCBSA-N 458.400 5.009 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c2ccccc2n1Cc1ccc(Cl)cc1 408541680 HCUKUFMCPLYDAG-ZHZULCJRSA-N 469.928 5.895 50 40 JKGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1 408609484 JYBFAIRQVQOCSF-WKULSOCRSA-N 498.410 5.786 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c2ccccc2n1Cc1ccccc1Cl 408676387 HZRVOUDBOFJSMM-UXHLAJHPSA-N 471.004 6.016 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 408763718 ULBDTGHEVJZDFP-SXGWCWSVSA-N 499.752 5.964 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)ccc1OCc1cccc2ccccc12 408765744 XORGNSBQUCDUGS-JJIBRWJFSA-N 478.548 6.372 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c(C)c1 408787958 HTTVNZHKYINZBX-DJKKODMXSA-N 469.343 6.874 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408795247 UXGYLXYCHRYDQM-LICLKQGHSA-N 468.296 6.026 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Br)cc2)c(C)n1-c1cc(Cl)ccc1Cl 408845792 ZKOZFCPUCIHIRV-BHGWPJFGSA-N 465.178 5.927 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 408858490 ZIJPFMNNHZNDJR-XDHOZWIPSA-N 461.449 5.257 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccccc3s2)o1 408861902 VLAIGFIMXCWRBJ-SDNWHVSQSA-N 451.960 6.548 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 408882915 STITVQBLCJLMDH-XDHOZWIPSA-N 491.475 5.266 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408885599 CQXCJVIREXDIFD-MDWZMJQESA-N 452.810 5.271 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1 408887625 PRNHGTJOELAYSH-LGJNPRDNSA-N 459.329 5.110 50 40 JKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1 408888192 SYIGBUVNCKETHF-UKTHLTGXSA-N 452.810 5.271 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1cccc2ccccc12 408966895 REBMQASVMXQGOE-JFLMPSFJSA-N 452.470 5.666 50 40 JKGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2C)c1C 408985330 WMWGFZQPYIDIIN-MOSHPQCFSA-N 461.949 5.697 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccccc1OC 409020950 WCKRNVMPHNRBHB-JCMHNJIXSA-N 499.567 5.274 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1cccc2ccccc12 409053164 YGKPDCQYJHEBLW-MUFRIFMGSA-N 458.945 6.153 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OCC)c1OCc1ccccc1 409068479 RPOYWNKMTOOSNI-XQNSMLJCSA-N 472.972 6.592 50 40 JKGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 409132693 LKNVTTNUJWXFLD-FQEVSTJZSA-N 459.304 5.526 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccccc1 409222506 DLBYLMDTSPTMTQ-SFQUDFHCSA-N 466.324 5.557 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OCC)c1OCc1ccccc1 409231041 AYSVSOKZAFBSPR-IVKFTBJLSA-N 466.581 6.177 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)cc2Cl)c1 409253499 VDTDOLGTLJAZIJ-AIRTYWKNSA-N 465.380 6.665 50 40 JKGB N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(I)cc1 409373314 UCQLNYSINOVKFR-PTNGSMBKSA-N 465.212 6.634 50 40 JKGB COc1cc([C@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1c(F)cccc1Cl 409373318 UFUQFXXDCXWSSC-HXUWFJFHSA-N 459.974 5.409 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 409391138 HOKRGHWVTGSCIX-LSCVHKIXSA-N 476.762 7.828 50 40 JKGB Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 934927 OHVDGDQYOOHHHF-UZEPBSNMSA-N 467.594 5.046 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1cc2c(ccc3ccccc32)o1 2162559 BECWSRZVOZPLTO-LQKURTRISA-N 465.465 5.837 50 40 JKGB CC(C)c1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1 2357226 VCHTULAAKMVXSJ-FOKLQQMPSA-N 477.080 5.850 50 40 JKGB C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)N/N=C(/CC)c1ccccc1 8397880 WBXNMIBLHUAUEX-IDICYNCBSA-N 483.041 5.141 50 40 JKGB COc1ccc(/C(=N/NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c2ccccc2)cc1 9057083 YOWTUMCDQGFONG-CCFHIKDMSA-N 472.548 5.730 50 40 JKGB N#CC(C#N)=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)C2CC2)N2c3ccccc3C=C[C@@H]12 9371019 YCTYCODSHQCPSX-LYXINOJLSA-N 467.572 6.151 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc(F)cc1 9379840 HBPXQWRGYJJGEO-UUYOSTAYSA-N 467.016 5.255 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3)c2)sc2c1CCCC2 12565170 ZINCOMKARZZHIR-RCCKNPSSSA-N 486.593 5.928 50 40 JKGB CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCOC)cc1 12621494 ZOBWEIFOECONPB-HIXSDJFHSA-N 486.616 5.558 50 40 JKGB C/C(=N\NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 14922529 NFAPXXLDFPJFQJ-JVWAILMASA-N 496.976 5.274 50 40 JKGB Cc1ccc(Cn2c(SCC(=O)N/N=C\c3ccc(-c4ccccc4)cc3)nc3ccccc32)cc1 32576921 SQCPMMHNCVZOCR-DXJNIWACSA-N 490.632 6.302 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1cccc2ccccc12 33535035 WYMMAEFYAHXYHF-QRQIAZFYSA-N 469.497 5.028 50 40 JKGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(CSc4ccccc4)cc3)cc2)cc1 59473387 JNDKBNQZNSVGLX-NDZAJKAJSA-N 466.606 6.630 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccncc2)cc(Br)c1OCc1cccc2ccccc12 59536774 GHTCEVJSDDETHN-RWPZCVJISA-N 490.357 5.349 50 40 JKGB C[C@H](/N=N/c1ccc([N+](=O)[O-])cc1)[P+](N=S(C)(C)=O)(c1ccccc1)c1ccccc1 100824569 RKPLZKZCZNWPNP-IUBFCHALSA-N 455.500 5.336 50 40 JKGB CC1=NN(c2ccccc2)C(=O)/C1=C1\SS/C(=C2\C(=O)N(c3ccccc3)N=C2C)S1 104198414 CQKSKRWFRHZLTN-SVJWQLCWSA-N 464.597 5.383 50 40 JKGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cccc(OCc2cccc3ccccc23)c1 408568667 VYIDLCAZMJAGNO-JVWAILMASA-N 455.470 5.100 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(F)cc1 408578974 CCBCSBNHFTWUJP-YBFXNURJSA-N 486.768 7.283 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl 408608183 GRAYZFKCWJPBLV-RPPGKUMJSA-N 476.747 5.315 50 40 JKGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 408610116 MILSVZJRJDLGAV-MZJWZYIUSA-N 470.356 5.224 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408737976 GZAQLESPKMUMQU-MHWRWJLKSA-N 496.273 6.131 50 40 JKGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 408767539 YIQFWQOHTFFCGU-RPPGKUMJSA-N 499.379 5.331 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(O)cc1 408790964 ZSGWFXNGFWDMEB-GZTJUZNOSA-N 483.749 5.933 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 408791967 FWDIKKZBQHXMNQ-DEDYPNTBSA-N 476.916 5.260 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Br 408817917 WOTAGAWXGVPHAL-RCCKNPSSSA-N 491.385 6.363 50 40 JKGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1 408828492 NCWQTCWKLUJBLW-WYMPLXKRSA-N 460.342 5.958 50 40 JKGB CCOc1cc(/C=C(\C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccc(F)cc1 408857421 UYZWBYASZPCWOF-VXLYETTFSA-N 486.768 7.283 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1C 408870356 VXSHNVIGCFJHDQ-FYJGNVAPSA-N 450.460 6.447 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1OCc1ccccc1 408890504 UVDYEFVXJBLRLQ-RQZCQDPDSA-N 498.322 6.035 50 40 JKGB COc1ccc(C(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2OC)cc1 408895884 MDDPONDHHYULSL-XDHOZWIPSA-N 476.916 5.431 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(F)cc1 408964856 STGYVZFBMBQMIE-VVEOGCPPSA-N 494.872 6.240 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)c1nc2ccccc2[nH]1 409074705 UUKVLBOMCWEXCN-RVDMUPIBSA-N 470.337 5.702 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2ccccc2F)c(Cl)c1)OCO3 409090588 RMDIYPMEHDSESN-HSZRJFAPSA-N 450.853 5.005 50 40 JKGB CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccccc2)cc1 409220095 UEPQMIAIFBONSY-NTFVMDSBSA-N 477.948 5.308 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1 409242898 WPMGCHNUMOEBBD-VYYCAZPPSA-N 480.337 5.364 50 40 JKGB COc1ccccc1C(=O)N/N=C/c1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 409271941 WNHKFTCOVFEQLG-CCVNUDIWSA-N 466.368 6.077 50 40 JKGB CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc(CC)cc2)=C(C#N)[C@H]1c1ccccc1Cl 2310106 CAGLRNRFHYDRJF-FGZHOGPDSA-N 498.004 5.242 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1C 2389903 DVLJOTBNENLWSE-FZBRZNRVSA-N 488.012 6.022 50 40 JKGB O=C(Cn1ccc(C(F)(F)F)n1)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 3275380 MXPNKVROEJMNGR-STBIYBPSSA-N 463.463 5.522 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1 8721942 WZGVSJKSUNTSBL-DJKKODMXSA-N 481.335 6.125 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccc(Cl)cc1 9088959 ZOWSGEWJKLURNW-XMMPIXPASA-N 498.970 5.926 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1nc2ccccc2[nH]1 9187346 BNWHCQQZAPTGPL-LFIBNONCSA-N 463.324 5.951 50 40 JKGB Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 9304532 XWANQBBMGGURJR-XSFVSMFZSA-N 491.956 5.095 50 40 JKGB Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCCC(C)C 13799312 VJUOVYATWRIWRI-JJIBRWJFSA-N 494.595 6.089 50 40 JKGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1Br 16526273 VBOIUWZFCDTXKF-OCSSWDANSA-N 498.380 5.746 50 40 JKGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 19818106 JLIRQBQUVJXUJY-UZWMFBFFSA-N 489.575 5.228 50 40 JKGB Cc1cc(C)c(OCC(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)c(Br)c1 20103171 YZEOAQAJBPTLMS-MRUKODCESA-N 496.188 6.162 50 40 JKGB CCc1c(C)sc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c1C#N 20191310 PFWONJCWDREWDG-XSFVSMFZSA-N 463.566 5.889 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)cc1 20764962 DZEPUXDWKWMUKJ-OKCVXOCRSA-N 493.390 6.888 50 40 JKGB N#C/C(=C\c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1)C(=O)NCc1ccccc1 33383285 XLWTULRPAHKTGM-YBFXNURJSA-N 480.351 5.234 50 40 JKGB COC(=O)c1cc(-c2ccc(/C=C(\C#N)Sc3nc4ccccc4s3)o2)ccc1Cl 33586614 NOMNOHIKSCYCQG-RVDMUPIBSA-N 452.944 6.653 50 40 JKGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 59417057 YBEHUBKGHJOAJD-RPPGKUMJSA-N 499.379 5.331 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 108218720 SRWZEBZCFPGEOZ-MFOYZWKCSA-N 499.933 5.505 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccn1 113836423 IYQKWEMMIMFDGX-MHWRWJLKSA-N 461.319 5.372 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccccc1I 408587654 SXNBUYJXXDDXOR-YVLHZVERSA-N 493.175 7.070 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1 408740728 DSTFKRDNNNMHDB-JCMHNJIXSA-N 483.365 6.727 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)c(OCC)c2)cc1 408746067 WZIKHBXIHFVFSC-HAHDFKILSA-N 467.525 5.480 50 40 JKGB CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 408766737 FTAHOYFKEBFGQC-UUASQNMZSA-N 478.730 5.021 50 40 JKGB CCCOc1c(Br)cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OC 408780337 BBRNURCECBLWGN-MYKKPKGFSA-N 459.262 5.029 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408789650 QPNUFMNNBJUQAI-CIAFOILYSA-N 490.943 5.870 50 40 JKGB N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408797568 SCJHYXJJJHUJPJ-YRNVUSSQSA-N 462.676 6.361 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1 408808096 DYMPJMPPDXXKOT-NCELDCMTSA-N 468.556 7.426 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 408819044 ZQKUCYIZUWKOGK-XDHOZWIPSA-N 467.352 6.517 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(Cc2ccccc2F)ccc2ccccc12 408867259 LBDKEYZZMCOZMS-PXLXIMEGSA-N 454.932 7.077 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Br)C(=O)Nc1ccc(F)cc1 408878574 APNSLIJRZOQAMP-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccco2)cc(Br)c1OCc1ccccc1Cl 408881788 MCRMJNZMKWBWAI-WYMPLXKRSA-N 477.742 5.437 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408891743 UPJAZFKLXDWLIZ-LICLKQGHSA-N 468.296 6.026 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1cccc2ccccc12 408925556 SCDBPOYIAQHHJW-HKOYGPOVSA-N 488.974 7.771 50 40 JKGB CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 408954411 WWYQREKGTIQMHT-RQSOKRQSSA-N 479.758 5.799 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccccc1C#N 408962662 JAVQNNYTACBGPJ-VVEOGCPPSA-N 487.865 5.582 50 40 JKGB Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc2Br)c1 408991254 ZLRRIACTKGVMNF-NDENLUEZSA-N 495.804 6.844 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c(C)c1 409006088 HOUSCCXGUNRYBO-UCQKPKSFSA-N 453.542 5.483 50 40 JKGB C[C@@H](C(=O)NN=C1CCC(C(C)(C)C)CC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409026951 KMZVRNMAUKIBMG-XJDOXCRVSA-N 485.650 5.342 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1nc2ccccc2[nH]1 409044357 BNDPDXCQKHJHAQ-CXUHLZMHSA-N 499.195 7.275 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OCC(=O)Nc2cccc(C)c2)c1 409047178 NILAQBONWCGRDQ-HYARGMPZSA-N 469.541 5.184 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1nc2ccccc2o1 409071584 KIWMHDBSOGVNPE-WOJGMQOQSA-N 475.298 5.932 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1ccc(Cl)cc1 409189230 NDCNUBDUPICCJA-KBKYJPHKSA-N 451.712 6.129 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCCOc1ccccc1Cl 409196620 QIWNMCDJKZJPHV-XMHGGMMESA-N 482.989 5.481 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)n1 409226261 MKKCILSVLWJRFO-CCVNUDIWSA-N 491.016 5.721 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCc1cccc([N+](=O)[O-])c1 409321245 HDOSALWARKEYHW-HAHDFKILSA-N 450.494 6.790 50 40 JKGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 409391990 MLPHGUYTHJPKQD-LGJNPRDNSA-N 493.317 5.333 50 40 JKGB N#CC(=Cc1ccccc1)c1cc(C(C#N)=Cc2ccccc2)cc(C(C#N)=Cc2ccccc2)c1 2049305441 GSBDGQJPHFHFTN-UHFFFAOYSA-N 459.552 7.879 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cc(C(F)(F)F)ccc1Cl)C(N)=C(C#N)[C@@H]2c1cccnc1 713502 CEEDSIZNGQWVLI-FQEVSTJZSA-N 472.898 5.695 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 1767511 MAEWCSBVPWARCE-HMAPJEAMSA-N 469.541 5.998 50 40 JKGB O=C(N/N=C/c1c(O)c(I)cc2oc3c(c12)CCCC3)c1ccccc1Cl 2054455 DQCMQNVSLISZKA-AUEPDCJTSA-N 494.716 5.039 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc(OC)c1O 2090716 CXWCIILVDKJAJN-MZJWZYIUSA-N 461.905 5.042 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccccc1 2159456 AWIBSCFYKNWJAJ-STBIYBPSSA-N 450.494 5.938 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)sc2c1CCCC2 2202081 WWYCPIWEFMATOU-SSZFMOIBSA-N 465.600 5.912 50 40 JKGB Cc1c(Br)cc(C(C)C)c(OCC(=O)N/N=C/c2cccs2)c1Br 3127354 BOQFWBPMXAWOJJ-DNTJNYDQSA-N 474.218 5.234 50 40 JKGB Cc1ccc(NC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)cc1 8861408 IPPDBGNWASBHJE-UVHMKAGCSA-N 453.329 5.908 50 40 JKGB COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccccc4O)cc3[C@H]3C=CC[C@H]32)cc1 9010264 IKEZOTBPZRETAX-JBVXSBPRSA-N 481.552 5.159 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 9289374 JXWIXSPIQSIYDE-AFUMVMLFSA-N 471.738 5.015 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(I)cc1 10118604 MFYDXCUBGABPIE-ZMOGYAJESA-N 490.728 5.288 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCc1ccccc1Cl 12620911 KUQCAAUIDDGCIK-DEDYPNTBSA-N 456.929 6.507 50 40 JKGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3Cl)C(C(C)=O)=C(C)N2)cc1 13055501 RAWRUPPQLYOVDP-XMMPIXPASA-N 482.005 5.396 50 40 JKGB Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)C3=C(CCCC3=O)N2)c1 13174485 CZGIIMSEHNAQGG-VWLOTQADSA-N 457.599 5.413 50 40 JKGB Cn1/c(=N/NC(=O)c2oc3ccccc3c2CSC2CCCCC2)sc2ccccc21 14358858 KFNJRMKGHVPYSA-LCUIJRPUSA-N 451.617 5.798 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 30743240 QSCFJPUVFLOYGX-MIXAMLLLSA-N 483.641 5.783 50 40 JKGB COc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)cc(Cl)c1OCc1ccccc1C 41120630 AJLIQBXWQGQOJU-YBFXNURJSA-N 489.984 7.041 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c(C)n1-c1cc(Cl)cc(Cl)c1 58913690 ICDJEIKOVIMQJC-CCVNUDIWSA-N 479.367 5.643 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1cccc(Cl)c1 59117176 DTKZYXYSJBJWMP-XDHOZWIPSA-N 450.897 6.002 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccccc1Cl 59334714 YLNLDBSEYOAJGN-SXGWCWSVSA-N 463.759 5.075 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1 59335885 BIHPSMQKMRSWEX-PDGQHHTCSA-N 453.325 6.127 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 107867836 GOXHHCXQLSIUQO-WQRHYEAKSA-N 497.320 6.538 50 40 JKGB CCN1c2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2[C@H](C)CC1(C)C 208307493 ICSIGGDDAKLXFG-ZASWBZMTSA-N 468.395 6.071 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)[nH]c2cc1C 408543004 MLZZWKOSLBCEMU-NTEUORMPSA-N 463.291 6.175 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 408545164 ZMFDBQGUEDQTDA-QNGOZBTKSA-N 482.923 6.316 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1cccc(C)c1 408548172 DOQOFAMQUOPSAT-QFEZKATASA-N 484.393 7.563 50 40 JKGB CCOc1ccc(N2Cc3ccc(C(=O)N/N=C/c4c(O)ccc5ccccc45)cc3C2)cc1 408733224 GNWKWQRLCJYQEP-MUFRIFMGSA-N 451.526 5.228 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1 408733899 CKVPJYAPRNPTBH-VZUCSPMQSA-N 470.548 5.425 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1cccc(F)c1 408742416 OUWXZWYBNPAVDC-WQRHYEAKSA-N 481.321 5.721 50 40 JKGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1 408757174 VHXSCEKFOBIPCV-GCFUEJLLSA-N 488.415 5.764 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1OCc1ccccc1C#N 408766366 CPJJCGODBXWPIH-QRVIBDJDSA-N 467.525 5.479 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(I)cc1 408772713 FIVFLTOBYYCVLW-WQRHYEAKSA-N 492.282 6.782 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408798607 WEPMOGADFBLHSC-WOJGMQOQSA-N 467.308 5.816 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12 408813783 YNPBUNVOHPYMNM-CPNJWEJPSA-N 490.390 6.859 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)Nc2ccccc2)c1Cl 408819724 RKRPPVGTSZEWCV-WYMPLXKRSA-N 461.305 5.662 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1 408846649 REFHOMQDXWIFQJ-UDWIEESQSA-N 468.778 7.144 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3ccccc3Cl)c(OC)c2)cc1 408885246 YEPAIYUBUYHIHR-XDHOZWIPSA-N 481.379 6.537 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCc1ccc(Cl)cc1 408887660 QDWYUJSJPBTLGH-WOJGMQOQSA-N 453.325 6.127 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)c([N+](=O)[O-])c1 408898504 LXPWHLGUAQUQOO-LDADJPATSA-N 463.877 5.381 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(C)cc1 408961453 CIUDPSROOYVABZ-AMVVHIIESA-N 490.909 6.409 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)o1 408976309 AKZRGNMWNOEQPJ-VKMIRQPFSA-N 496.523 5.175 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c1 409005195 DMVLSTUEKLUWFZ-UCQKPKSFSA-N 453.542 5.483 50 40 JKGB Cc1ccc(C(=O)O)cc1-c1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)o1 409033662 OMDRTDUMTCSZGD-LQNQUEJISA-N 475.504 5.932 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1F 409234238 JIWKHCGCFGQGPD-QLTNSANVSA-N 478.951 6.241 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 409257213 RJSBDKMFRZBUOL-WWTGGXICSA-N 482.367 5.076 50 40 JKGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1OC 409319518 HNLPMIPXLGRKAT-ZMFRSBBQSA-N 459.329 5.354 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 409346212 MTRMFKMUPUKICZ-OKCVXOCRSA-N 485.519 5.371 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1ccccc1Cl 409390680 GPFNLQVIDXTVHB-GRSHGNNSSA-N 486.768 7.283 50 40 JKGB Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 1887970 WIYKRNRJDWWRGI-GFPZRUSRSA-N 473.985 5.713 50 40 JKGB Cc1ccc(N2C(=O)[C@@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 1888004 FHMGQXQEOHPENV-YMGIJWJESA-N 457.530 5.199 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1sc2c(c1C#N)CCCC2 2297479 GSCFWLSAZVEGTK-LICLKQGHSA-N 495.435 6.759 50 40 JKGB O=C(N[C@@H](CSCc1ccccc1)C(=O)Cl)OCC1c2ccccc2-c2ccccc21 2559970 SROXPZPJVPCTHD-QHCPKHFHSA-N 451.975 5.593 50 40 JKGB in-vitro COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 8812580 OGEANUBZJPICJB-LQKURTRISA-N 489.369 5.954 50 40 JKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 10059289 CKKGDTIOPPJIHW-AEIQVQRHSA-N 492.488 5.338 50 40 JKGB Cc1ccc([C@@H]2C(C#N)=C3SCN(c4ccc(C)c(C)c4)CN3CN2c2ccc(C)c(C)c2)cc1 12250574 SDJYEUNQIGTRDM-GDLZYMKVSA-N 480.681 6.953 50 40 JKGB Cc1ccccc1[C@H]1C(/C=N/NC(=O)c2ccc([N+](=O)[O-])o2)=C(c2cccs2)Oc2ccccc21 12436830 LEIZNISBCKBCDK-CYUILNSLSA-N 485.521 5.909 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1F)C(=O)Nc1sc2c(c1C#N)CCCC2 14151953 ZIHOHOTVBXMIOI-CPNJWEJPSA-N 457.530 5.762 50 40 JKGB Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)COc3ccccc3C)c2C)c1 20243715 NPVHVOFJCNAERB-LGJNPRDNSA-N 468.395 5.311 50 40 JKGB C/C(=N/NC(=O)c1ccc(N/N=C(/C)c2cc3ccccc3o2)cc1)c1cc2ccccc2o1 33740303 UIXLAGOKACDFQR-SZVCAHDZSA-N 450.498 6.169 50 40 JKGB COc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(OC)c1C 35086668 SZVRYWRHPXHBRV-MWLSYYOVSA-N 487.556 5.356 50 40 JKGB N#CC1=C(SCC(=O)Nc2cccc(Cl)c2Cl)N=C2CCCC(O)=C2[C@H]1c1ccco1 102565527 KBQLVKGHDKSXEF-LJQANCHMSA-N 474.369 6.228 50 40 JKGB ClCCN(CCCl)c1ccc(/C=N\c2ccc(N(CCCl)CCCl)cc2)cc1 104189264 KEAVXJUHRZUZOP-ONUIUJJFSA-N 461.264 6.005 50 40 JKGB O=C(NNc1cc(Cl)ccc1OCc1c(F)cccc1Cl)[C@H]1CC(=O)N(c2ccccc2)C1 408603180 FUJDBAKYTJKFRC-HNNXBMFYSA-N 488.346 5.208 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(N2CCCC2)cc1 408677656 UESFSWHIRPMBKR-WPWMEQJKSA-N 478.390 5.392 50 40 JKGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br 408733896 CJGBLRADRAHRIK-WUXMJOGZSA-N 484.575 5.728 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 408746352 YOETXOPJSHPASE-UYRXBGFRSA-N 495.348 6.112 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(OC)c2)cc1 408801891 WLEAMKNCLVUHNF-JJIBRWJFSA-N 492.575 6.680 50 40 JKGB Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1C 408805076 DDSGEBHLKURVKI-UDWIEESQSA-N 451.353 6.735 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc(C(=O)O)cc1 408818914 YTQVRJRMYVYGHX-MWLSYYOVSA-N 484.508 5.211 50 40 JKGB N#C/C(=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 408844480 JITYVCZNSOVQDH-JWGURIENSA-N 487.563 5.027 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(I)c(OC(C)C)c(OC)c1 408870934 XHAAOBIADZJKIO-LICLKQGHSA-N 490.341 5.195 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408879479 DQADJMRPDZZFMR-FOWTUZBSSA-N 473.337 5.307 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1cc(C)cc(C)c1 408884290 WPPPZMXBDQBVLP-MFKUBSTISA-N 454.570 6.444 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OCc2ccc(C)c(C)c2)c1 408885330 ZLUJDSVSOBKUFI-CIAFOILYSA-N 480.486 6.456 50 40 JKGB COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1OCc1ccccc1Cl 408885662 DOQDGMSXBPAUNY-LGJNPRDNSA-N 481.961 5.311 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(C)cc3)c(OCC)c2)cc1 408893995 HXFQUUWWSVWHIQ-XQNSMLJCSA-N 498.535 5.335 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1cc(C)cc(C)c1 408899186 NXDZGBHRNMQIDI-CIAFOILYSA-N 457.486 5.345 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(-c2ccccc2)cc1 408948290 FIBKTRYCVMTZID-TURZUDJPSA-N 484.603 6.508 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)o1 408978778 KBKHACPLCMIFCN-HGFFDCOOSA-N 496.523 5.175 50 40 JKGB Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 409000348 XWKUITBTVAWCCJ-NDZAJKAJSA-N 477.520 5.230 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1cccc(Cl)c1 409054062 QRKCBCZFOBVWEG-MZJWZYIUSA-N 457.357 6.043 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 409211806 OHKIEBYEDAJURC-ZMOGYAJESA-N 455.923 5.070 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(OCC)c2)cc1OC 409326970 PHBAIQVHSFHMTB-RHANQZHGSA-N 480.536 5.365 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(Br)c1OCc1ccccc1Cl 409369841 ZTSBGUNINPLGJU-JMIUGGIZSA-N 479.761 6.626 50 40 JKGB Cc1cc(C)c([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(Cl)cc1C 650686 FCYUMVYYYLEQEL-HOFKKMOUSA-N 483.015 6.438 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(F)cc2)cc1 935093 JCBPSGINRFXOJK-YMGIJWJESA-N 491.975 5.853 50 40 JKGB N#C/C(=C\c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1 2404951 WTRIQTAEJNKKMD-GHRIWEEISA-N 498.347 5.132 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccccc1 4196442 CSFXLAKPFGTGDS-CIAFOILYSA-N 477.358 5.260 50 40 JKGB CCC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 8384932 BYPZOQVFORDNKS-XRURVCPUSA-N 466.585 5.972 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)ccc1OCc1cccc(Cl)c1 8811149 GHCWJKFEOSFDHB-JFLMPSFJSA-N 468.937 5.099 50 40 JKGB CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1 8817311 CSMITASLUWPUTB-JVWAILMASA-N 482.053 5.909 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2C)cc1 9363547 LIPMTXZLNBPHBD-XQNSMLJCSA-N 483.572 5.847 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccco3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 9763734 AIBNEBAQSQLTPF-YUMHPJSZSA-N 473.602 5.376 50 40 JKGB Cc1ccc(/N=C2\N[C@@](c3ccccc3)(C(F)(F)F)C(C#N)=C3N(C)c4ccccc4N32)cc1 12645098 PVFBWNDNDSKJJA-RUZDIDTESA-N 459.475 5.735 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)c1C 13174073 JHQKRGIBHLKTIF-XMMPIXPASA-N 478.017 5.758 50 40 JKGB CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1 16735678 ZOMYSTQQDPQXQY-ONUIUJJFSA-N 469.566 5.665 50 40 JKGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1 20158573 XXUZQEUCOKWWNV-APICWZDASA-N 495.988 5.314 50 40 JKGB COc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)cc1 20240817 OUZXJKZNKUOKHT-DHRITJCHSA-N 486.435 5.249 50 40 JKGB Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3C)c2C)c1 20243621 LDSGIIIFXOHFEK-UVHMKAGCSA-N 498.490 6.165 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccccc3Br)c2C)cc1C 28216090 JUXYMNQTZIWERY-LGJNPRDNSA-N 484.463 5.857 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 32519965 CDKHQDHOKLJDBN-DHRITJCHSA-N 451.935 5.303 50 40 JKGB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=S)Nc1cc(Cl)cc(Cl)c1 32579231 BXGXVVUEVSPKGQ-AWEZNQCLSA-N 460.386 5.446 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)NC[C@H]1CCCO1 33248326 HAKJCAIVGIYHII-OTJDAXFFSA-N 454.357 5.199 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 33627503 PRYLIONEBOAQQY-YBEGLDIGSA-N 455.348 6.378 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccccc1Cl 58913266 XEBYIXZNQYTEGT-OPEKNORGSA-N 463.752 5.143 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1cccc(F)c1 59201510 XGTATBWMXJWXCD-XDHOZWIPSA-N 465.322 6.021 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cccc(C)c1 59266384 JOZUQRPIKHZNHY-LPYMAVHISA-N 460.961 6.480 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(CSc2ccc(Cl)cc2)cc1 59473163 UFBVEUQZYJCMPP-JFLMPSFJSA-N 491.956 6.564 50 40 JKGB CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(F)cc2)C2=C(O)CCCC2=N1 104117219 CNRBFVAPIFKDSX-XMMPIXPASA-N 477.561 5.866 50 40 JKGB CCN1c2cc(C)c(/C=N/NC(=O)COc3ccc(Br)cc3)cc2C(C)=CC1(C)C 208514023 GIRWQRUAQWDPDJ-VULFUBBASA-N 470.411 5.308 50 40 JKGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)o1 408528603 HXLHNPPNRNYANN-VFLNYLIXSA-N 467.451 5.022 50 40 JKGB CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccncc3)c2-c2ccccc2)cc1 408740395 BOUMQWAIIUDXDW-STKMKYKTSA-N 486.575 6.369 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OCc1ccc(Cl)cc1 408747064 YVJNOSMEUZUDGD-STZFKDTASA-N 493.390 6.855 50 40 JKGB CCOc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1OC 408759118 YAFAORSNOMAGFZ-OGLMXYFKSA-N 454.611 5.477 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(I)c1OC 408760815 ABQHGBAQSUMXMR-RQZCQDPDSA-N 484.293 5.007 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OC(C)C)c3)c2C)cc1[N+](=O)[O-] 408783385 OJZHTHWSUGLJME-MTJSOVHGSA-N 458.518 5.644 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)cc1 408783990 QAHZTIJFLPEVEE-QJOMJCCJSA-N 477.520 6.435 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408792897 MEFRWFGMFBZZHX-LICLKQGHSA-N 457.744 6.771 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1C 408814429 RHVVUUUZVUSPSZ-UDWIEESQSA-N 495.804 6.844 50 40 JKGB CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 408814818 WGGNXEYQBQCYRH-HKOYGPOVSA-N 462.549 6.752 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1Cl 408818660 QACOTIPQNCYRCC-FOWTUZBSSA-N 498.366 6.669 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c(OC)c1 408869694 SWFCMWJXZACLMB-RGVLZGJSSA-N 497.378 5.813 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OCc2ccccc2)c(Cl)c1 408886583 KPCWXDFPVMSITM-DHRITJCHSA-N 451.935 5.303 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccccc2Cl)c2ccccc12 408984886 UBZVOOWWZBGJFV-XSFVSMFZSA-N 474.391 7.159 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)c(Sc2ccccc2)o1 408995708 DHLRACJHXJSQFF-MFKUBSTISA-N 465.372 6.039 50 40 JKGB CCc1cc(C)cc(OCC(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)c1 408999761 XQDGMTBVQCDWDF-WKULSOCRSA-N 474.630 5.306 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccc(Cl)cc1Cl 409040842 YVIMPYVIQQWARZ-KKMKTNMSSA-N 456.760 6.414 50 40 JKGB CCOC(=O)/C(C#N)=C/c1ccc(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c([N+](=O)[O-])c1 409189467 PIWNKAGXVATUGL-KPKJPENVSA-N 490.328 5.308 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1cc(Cl)cc(Cl)c1 409207070 OEBFEIIQQLYJJE-CNHKJKLMSA-N 468.340 5.353 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1cccc(F)c1 409221355 PDLLDYWGDGNHLM-JLPGSUDCSA-N 458.533 5.459 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 409269078 DRMHKCAHEIOPEW-QESWDSMOSA-N 473.356 5.155 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cn(CC(=O)Nc4ccc(F)cc4)c4ccccc34)[nH]c2c1 409390445 DBQBEUZDZVTJKF-ATVHPVEESA-N 465.488 5.368 50 40 JKGB C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2F)cc1 2672526 GPPRRQJKZGXHGU-HAVVHWLPSA-N 478.527 5.467 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1 2774167 FBQPYFOFVPJSAD-FMIVXFBMSA-N 458.257 5.716 50 40 JKGB O=C(Cc1cccc2ccccc12)NN=C1C=CC(=NOC(=O)c2ccc(Cl)cc2Cl)C=C1 3124889 CXKJVVCXBPEZTD-UHFFFAOYSA-N 478.335 5.500 50 40 JKGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 8843170 CDFISHZJMCYBDV-UXHLAJHPSA-N 478.573 5.859 50 40 JKGB COC(=O)c1c(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)sc(/C(C)=C/C#N)c1C 8917429 ZBNLVVLCGQUPQF-NTCAYCPXSA-N 485.540 6.377 50 40 JKGB Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(C)c1 9553408 LZMDYCBWKRNLER-UDWIEESQSA-N 483.351 7.040 50 40 JKGB CC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2Cl)=C(C#N)[C@H]1c1ccc(Cl)cc1 9849230 IAJMCRNTRUZXTK-JOCHJYFZSA-N 472.397 5.650 50 40 JKGB CCC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccc(NC(C)=O)cc2)c(C(C)(C)CC)c1 12562142 QPOHSNCMNZQEKP-TWKHWXDSSA-N 479.665 6.330 50 40 JKGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NN=C2CCCCCCCCCCC2)cc1 20059300 IYMCPULKRVLYJB-UHFFFAOYSA-N 483.678 6.043 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccc(Cl)cc2C)cc1 20060054 DDVHAXNOOGNHEP-LQKURTRISA-N 498.048 5.426 50 40 JKGB O=C(N/N=C/c1cccc2ccccc12)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 20240660 FBLFBVMSJPVBOG-WEMUVCOSSA-N 461.609 6.058 50 40 JKGB CCOC(=O)c1c(NC(=O)N/N=C\c2ccc(Cl)cc2Cl)sc2c1CC[C@H](C)C2 32511877 FPNUHSXWNMMWSU-ASDNRQTRSA-N 454.379 5.512 50 40 JKGB C[C@@H]1CCc2c(sc3nc(/C(C#N)=C\c4ccc(N5CCCC5)c([N+](=O)[O-])c4)nc(O)c23)C1 33562954 IVRZDMCANFBSSD-VQCBNXJZSA-N 461.547 5.094 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 33792598 PGAYXTGORDXWLM-ZDLGFXPLSA-N 453.267 6.140 50 40 JKGB O=C(N/N=C/[C@H]1C[C@H]2C[C@@H]1[C@@]1(F)C(F)(F)C(F)(F)[C@]21F)c1sc2ccccc2c1Cl 35183216 CQBOJQYDZLICJW-ULOCFTRPSA-N 466.834 5.627 50 40 JKGB CC(C)(C)[Si](C)(C)O[C@@H]1Cc2ccccc2[C@@H]1NP(=O)(c1ccccc1)c1ccccc1 195753623 PQXOAQCUIRVWCB-FTJBHMTQSA-N 463.634 6.193 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccc(Cl)c(Cl)c1 408541927 FWXBARJMIXTHJA-RGVLZGJSSA-N 492.406 7.528 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 408582323 MYGHRVLERZJNCW-XDHOZWIPSA-N 454.751 6.754 50 40 JKGB O=C(CSCc1ccccc1Br)N/N=C/c1cccc(Oc2ccccc2)c1 408719952 QGRYLZSIVJMHGQ-ZVHZXABRSA-N 455.377 5.625 50 40 JKGB CC[Si](CC)(CC)Oc1ccc(C(C)(C)c2ccc(O[Si](CC)(CC)CC)cc2)cc1 408722825 XMKCNSXKLMSTSC-UHFFFAOYSA-N 456.819 8.781 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408743078 DKOYEBWBHDQGQS-ODLFYWEKSA-N 477.904 5.690 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1 408745333 LULAJUHKQUJITL-WQRHYEAKSA-N 497.776 6.236 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc3ccccc3c2)cc1)C(O)(c1ccccc1)c1ccccc1 408747159 JSFBXBQZUONGFK-NVMPUMLXSA-N 486.571 5.805 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1cccc(C)c1 408747252 LCRDCSGKZKLUPP-UUYOSTAYSA-N 491.385 5.569 50 40 JKGB N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408767426 XKMXTFUDJMIGII-BKUYFWCQSA-N 473.359 7.271 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)c(C)n1-c1cccc([N+](=O)[O-])c1 408780545 DFCFJIBMZSDVML-KIBLKLHPSA-N 495.750 5.492 50 40 JKGB COc1c(Br)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 408798830 XKAVLWAWLWNZIC-ONNFQVAWSA-N 460.542 5.964 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2ccccc2Cl)c1Cl 408813936 GBSZXGNSEJDXSN-OPEKNORGSA-N 480.735 5.924 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC 408835715 ZDHYRQJJFYPRCO-RCCKNPSSSA-N 474.944 6.038 50 40 JKGB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4cccs4)cc3)sc2c1 408849326 XXFHDQVDFYHUEM-WYMPLXKRSA-N 453.976 5.941 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2F)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 408878722 ANPDSOZCDVAKAQ-VCHYOVAHSA-N 458.842 6.634 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C 408924822 OQJXFJJYXVFLNM-GZTJUZNOSA-N 450.882 5.210 50 40 JKGB N#Cc1ccccc1COc1ccc2ccccc2c1/C=N\NC(=O)c1cc2cc(Cl)ccc2o1 409022035 CNXBBLZFISGVSK-ACXHZZMFSA-N 479.923 6.454 50 40 JKGB CC[C@H](C)Oc1c(I)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OC 409209267 FBAVZBKIHZPERU-LWLPBDFMSA-N 478.286 5.449 50 40 JKGB O=C(c1ccccc1)[C@@]1(c2ccccc2)SS[C@@]1(C(=O)c1ccccc1)c1ccccc1 1702115 COXRUMPIUMQNQX-VSGBNLITSA-N 452.600 6.938 50 40 JKGB COc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 2227333 XDTJMVHKVLZRLS-NLTRVXJZSA-N 469.566 5.069 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccc(F)cc1 2349213 AHNSIWMHTDMKAN-VULFUBBASA-N 471.989 5.485 50 40 JKGB O=C(c1ccccc1)[C@@H](Br)[C@H](Br)c1ccc(-c2ccccc2Cl)o1 2413054 VQOVWNLKBAYYMC-MSOLQXFVSA-N 468.572 6.682 50 40 JKGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1cc(-c2cccs2)nc2ccccc12 3201155 ICGDDZCDGKAZIA-JFLMPSFJSA-N 471.973 5.875 50 40 JKGB COc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc(OC(F)(F)[C@@H](F)Cl)cc3)sc2c1 3265033 PLNVWOXTAVTFPC-VKRCVABQSA-N 477.291 5.833 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 8812410 VXQDDWOIXXMGLC-KVSWJAHQSA-N 495.765 6.528 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 9057463 SIKFPWNNEFZDJT-UKTHLTGXSA-N 472.682 5.816 50 40 JKGB Cc1ccc(-c2ccc(/C=N\NC(=O)c3ccc(I)cc3)o2)cc1Cl 9846738 RFXSFBZEANRGJC-JJFYIABZSA-N 464.690 5.277 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)c1 9907431 MPSWQOHVAZQEED-UNOMPAQXSA-N 495.348 6.112 50 40 JKGB COc1ccc(CCC(=O)OCC(=O)N(/N=C/c2ccccc2)c2cccc(C(F)(F)F)c2)cc1 13098437 BENOYIQVZYXHMZ-OCSSWDANSA-N 484.474 5.257 50 40 JKGB O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1cc(Br)ccc1O 14408691 LPCIRZDCBRUBHN-OPEKNORGSA-N 494.172 5.804 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1)NCc1ccco1 28214759 CXFNMSJIQRGIBV-OCSSWDANSA-N 499.592 5.031 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1ccccc1F 28216905 ZRXASLWSHBEFBX-STBIYBPSSA-N 457.574 6.289 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)n1 28217120 GSVMNWAFNXNBOX-YSURURNPSA-N 462.406 5.050 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c1 33414875 XVKMSQSVPHVGCE-XODNFHPESA-N 482.367 5.778 50 40 JKGB CCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Br)cc1 33628702 WEELJCBQOAGQHG-UCQKPKSFSA-N 482.216 5.935 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 33921835 STLQGTGUJDEHMZ-ZDLGFXPLSA-N 464.352 6.830 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Br)c1OCC 59255755 QKZAFKCYPRUULD-NTUHNPAUSA-N 494.729 5.354 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1cccc2ccccc12 59266399 BXMOYARHFWPKSW-CJLVFECKSA-N 483.365 6.727 50 40 JKGB Cc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)NC3=C2C(=O)CCC3)o1 96129993 RVTHBBFHTPFEDC-OAQYLSRUSA-N 453.951 5.042 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccccc1Cl 107731885 YVVNFICKORFYSW-LFIBNONCSA-N 484.314 5.696 50 40 JKGB N#CC(C#N)=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2ccc(/C=C/c3ccccc3)cc2)C1=O 113481983 XIMUUFFTNKIFJJ-CJZRDCOESA-N 476.561 5.593 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)cc21 223506562 UVUJPNAKHDGLFV-MNDYBZJGSA-N 457.540 6.117 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1Cl 408537206 CUTHHYFRTWZSMQ-HMMYKYKNSA-N 489.443 7.677 50 40 JKGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408609447 JSNCYUUSJOVIDH-MZJWZYIUSA-N 470.356 5.224 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 408726165 QMNHEUHDKWCJRN-WQRHYEAKSA-N 497.776 6.236 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C)c3)c(OCC)c2)c1 408745837 PLTKXNIAJZEITI-HAHDFKILSA-N 456.542 5.917 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)cc3)c2C)sc2c1CCCC2 408782801 JPOFFVRTRQJQLJ-UYRXBGFRSA-N 450.991 6.539 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1C 408792010 GNHUSLIDOWUCMM-VXLYETTFSA-N 496.350 6.643 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1 408796214 OMAOUECKOVVQBD-RGVLZGJSSA-N 495.804 6.844 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2Cl)cc1 408799369 YVMSFFYUYPLWJY-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 408802336 ZFXXEPTWNPUPDN-WOJGMQOQSA-N 466.896 5.621 50 40 JKGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1cccc2ccccc12 408909077 BYBGDBPBKXXMDO-OCSSWDANSA-N 468.553 5.573 50 40 JKGB CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)COc2cccc(Br)c2)c1C 408960033 IFZVXWNSDNSBRX-WGARJPEWSA-N 468.395 5.257 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccccc2)o1)C(=O)Nc1cc(Cl)ccc1Cl 408999616 VDQRLUWKZYEWJZ-WQLSENKSSA-N 494.197 7.046 50 40 JKGB CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1OCC 409006798 LBVZBBNLPBVDTO-WJDWOHSUSA-N 459.340 5.191 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1ccc(Cl)cc1Cl 409021883 DCKJNEQFYSGKNM-RAWMCFOBSA-N 460.748 6.564 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)c1 409247911 DVVBZTLXSQJVPY-UDWIEESQSA-N 459.933 5.520 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Br)c2)cc1 409255386 JYLDBDAHCXUUQC-VYYCAZPPSA-N 494.389 5.156 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2)cc1Cl 409266896 SAJCMEIJVOGHQG-WQRHYEAKSA-N 480.351 5.865 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(I)c1OCC 409320047 BGEDAUTZIJKKBK-PDGQHHTCSA-N 469.322 6.306 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2Cl)NC(=O)C[C@H]1c1ccc(Cl)cc1 409322234 IPCGDQVWLDDWEY-AWEZNQCLSA-N 466.777 5.357 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(OCC)c2)cc1OC 409324312 RYLSHICKJCWDAU-VEILYXNESA-N 462.546 5.226 50 40 JKGB N#C/C(=C\c1cc(Br)cc(Br)c1O)C(=O)Nc1ccc(Cl)cc1 1204848 DBVNYZJUGNJLAH-BJMVGYQFSA-N 456.521 5.116 50 40 JKGB O=C1c2ccccc2C(=O)c2c(SSc3cccc4c3C(=O)c3ccccc3C4=O)cccc21 5029790 DFASTHACKVACMB-UHFFFAOYSA-N 478.550 6.037 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccc(C)cc1 9019713 GUEGYVBQLZTNDE-OVVQPSECSA-N 476.005 5.529 50 40 JKGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\C(Cl)=C\c1ccccc1 12464262 IZGZFZOZAGAVFU-ORSYBPACSA-N 495.482 5.958 50 40 JKGB CCCSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2OC)=C(C)N1 13045505 WGPNNQFTTJDXBC-JOCHJYFZSA-N 453.995 5.826 50 40 JKGB CC(C)(C)C1CCC(=NNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)CC1 14185971 OGNLYDBKDBQOKV-ZWAGFTRDSA-N 463.647 5.783 50 40 JKGB C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCCCCC)cc1 16700665 SQXYHZBYVACTRG-FCDQGJHFSA-N 454.574 5.708 50 40 JKGB CCOc1cc(/C=N\NC(=O)COc2ccc([C@H](C)CC)cc2)ccc1OC(=O)c1cccs1 30820863 FOBNHZFPAPXLJE-ZQZJVFIWSA-N 480.586 5.409 50 40 JKGB Cc1ccc(COc2ccc(/C=C(/C#N)c3ccc4ccccc4c3)cc2Br)cc1 33581462 VMHXLNVONBWPEX-QFEZKATASA-N 454.367 7.554 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 59272402 DKRNDZDHMBURJW-GZTJUZNOSA-N 451.841 5.512 50 40 JKGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 59336210 OTDOVGFHKOTEPK-LCYFTJDESA-N 497.119 5.156 50 40 JKGB COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3)N=C3CCCC(O)=C32)ccc1O 104097334 XFHLMJFJJHOFOK-DEOSSOPVSA-N 475.570 5.351 50 40 JKGB CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(CCCC)cc2)cc1OC 107982094 IMWABJRNTCSVPL-IMRQLAEWSA-N 489.454 6.523 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC 408538897 DAKGNAJZGMRRGW-RCCKNPSSSA-N 456.970 7.450 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)Cc3cccc4ccccc34)c3ccccc32)c1 408545487 ZEUSRHYFMMJSRP-FDAWAROLSA-N 475.548 5.322 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408587746 GYWUCIPXUJCZPG-LUOAPIJWSA-N 498.193 6.652 50 40 JKGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OCC 408724323 BDLHQKLXAGPURB-BOPFTXTBSA-N 488.325 5.109 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc([N+](=O)[O-])c(Cl)c3)c2C)c1 408745148 KFJDJHGUVPXUPU-WQRHYEAKSA-N 464.909 5.600 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)c1 408745839 PLXVTABBENCLAY-NHDPSOOVSA-N 487.943 5.744 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1cccc2ccccc12 408757676 BMWHNGMZHAUNHT-JVWAILMASA-N 455.470 5.100 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc1OC 408787051 PZTVTVFAZQZEFK-ATVHPVEESA-N 472.383 5.248 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 408790704 QZWRMUPYZIMOHN-LPYMAVHISA-N 460.961 6.344 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)Nc2ccc(Cl)cc2)c1Cl 408816840 MGMOVZHBAGKZBH-OPEKNORGSA-N 495.750 6.316 50 40 JKGB C#CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 408825105 JGDIKMUFWAARRD-RCCKNPSSSA-N 472.928 5.485 50 40 JKGB COc1cc(/C=N/NC(=O)/C=C/c2ccccc2)cc(Br)c1OCc1ccccc1 408861264 BDCPBRHFINBEDX-XURMGDGOSA-N 465.347 5.200 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OCc2ccccc2)c1 408877225 QTRQKMWXZQJMOS-XDHOZWIPSA-N 452.432 5.839 50 40 JKGB O=C(N/N=C/c1cccc(OC(=O)c2cccc3ccccc23)c1)c1cccc(Br)c1 408892352 YTGOAVPKJJHJCU-JVWAILMASA-N 473.326 5.585 50 40 JKGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Br 408908714 CVQRCDXSUKKDHT-OVKKOYPGSA-N 481.390 5.013 50 40 JKGB O=C(N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc2ccccc2c1 408924830 OSESRLFSFSQWJH-FDAWAROLSA-N 464.952 6.989 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 408988679 FMOUBINDJAIFMA-MFKUBSTISA-N 460.515 5.510 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1Br 409047570 OKZJYPXMMLJJQA-OQLLNIDSSA-N 478.184 5.855 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 409130877 WXPPULUQGSZBSA-OAQYLSRUSA-N 457.288 5.635 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1c(F)cccc1Cl 409198062 VYWCRKOQZPHCQR-GZTJUZNOSA-N 470.953 5.742 50 40 JKGB COc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Br)cc2)c1 409217732 AUDDFRYHFXYRHT-MXAYSNPKSA-N 487.737 5.094 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1cccc(Cl)c1Cl 409248834 RLDZZLOUAPWSOK-YBEGLDIGSA-N 478.301 6.965 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2)c1C 409258763 VWQBTHXIXWXTDE-WKIKZPBSSA-N 470.356 5.392 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1 409260017 JIDWWDJDXIGALI-CPNJWEJPSA-N 490.357 5.321 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)C(c1ccccc1)c1ccccc1 409392673 RGAJVEAWPXLKRQ-VUTHCHCSSA-N 465.509 5.456 50 40 JKGB COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3o2)c1OCc1ccccc1Cl 2078167 UDULKFVXCPKXSA-LGJNPRDNSA-N 481.961 5.311 50 40 JKGB COc1ccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3cccc(C)c3C)N(c3ccccc3)C2=O)cc1 2222215 BCUJIUAEEFONRN-ZDDKYUFNSA-N 483.593 5.377 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)cc1 2436777 NUPWVRRAVXTINX-NBVRZTHBSA-N 470.916 5.303 50 40 JKGB N#CC1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@H]1c1c(F)c(F)c(F)c(F)c1F 2760126 AEVVUYCTNTWBBS-AWEZNQCLSA-N 499.361 5.706 50 40 JKGB COc1ccc([C@H](Br)[C@@H](Br)C(=O)c2ccccc2)cc1Br 3119215 JPDFDFODMBDWMZ-LSDHHAIUSA-N 476.990 5.540 50 40 JKGB CCOc1ccc(Oc2c(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2-c2ccccc2)cc1 3338758 KKHSUNBFHNRCJP-WPWMEQJKSA-N 485.500 5.044 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2Cl)cc1 8427240 NQOMCDLUMGAHKI-BQYSLQBPSA-N 481.021 5.169 50 40 JKGB C/C(CCc1ccccc1)=N\NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 8843167 CRXTWVQHWJOABH-ONNMZWHZSA-N 457.599 5.199 50 40 JKGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(Br)cc2)[C@@H]2C[C@H](c3ccccc3)CC=C12 9020073 LYIKSXMWYJEQPQ-AAIMPIBUSA-N 455.359 5.436 50 40 JKGB N#CC(=C\c1ccc(-c2ccc(Cl)cc2)o1)/C(O)=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F 9057495 SJBCUDVQRHEMOY-UKTHLTGXSA-N 461.783 6.722 50 40 JKGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1cccc(OC(=O)c2cccc3ccccc23)c1 12590296 ZTFAHPBCAFOCBL-XSFVSMFZSA-N 493.475 5.521 50 40 JKGB N#C/C(=C\c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1)c1ccc(Cl)cc1 33412198 IMBALUFLZMOBFF-LICLKQGHSA-N 457.744 6.728 50 40 JKGB CCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1cccc(C(F)(F)F)c1 33638516 MQXIQAMAXNXYEM-WGARJPEWSA-N 471.317 6.191 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)C(=O)Nc1ccccc1Cl 34889231 VCQOGSIEGLYRNM-LFIBNONCSA-N 484.314 5.696 50 40 JKGB O=C(Cc1ccc(Br)c2ccccc12)N/N=C/C(Br)=C/c1ccccc1 39383585 GCLZZRZYQHGVGU-UWPCPPDFSA-N 472.180 5.683 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc2ccccc2c1 59334334 PSWUKNIXMPFFLZ-JAIQZWGSSA-N 465.347 5.185 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(F)cc2)c1 59536371 CORCKCHFYDGCSP-XDHOZWIPSA-N 465.322 6.021 50 40 JKGB CCCCCCCCOc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)N(CC)CC)cc2)cc1 59608857 BXSFFTHIASCLGS-DAFNUICNSA-N 476.617 6.420 50 40 JKGB Cn1c(=O)c([N+](=O)[O-])c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc21 95671335 IGHXCOHPOHIEHR-UHFFFAOYSA-N 479.476 5.256 50 40 JKGB N#CC1=C(SCC(=O)N(c2ccccc2)c2ccccc2)NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 97951969 VHJJBFOGVHXPHV-SANMLTNESA-N 481.577 5.807 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(O)CCCC3=N2)cc1C 104087793 MIYRSFMPCPTNSG-XMMPIXPASA-N 478.017 6.598 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C(C)C)cc3)C3=C(O)CCCC3=N2)cc1C 104093836 CRWTXPMXKKVSNU-HHHXNRCGSA-N 485.653 7.068 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OCC)c(OCC)cc2Br)cc1 207152148 ZKOGYEFWBQHLAF-WJDWOHSUSA-N 459.340 5.191 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccc(Cl)cc1 408569666 PHXLKBZZZKNOGF-MFOYZWKCSA-N 482.342 7.051 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 408612328 VAIUZABSLJUBJV-KKMKTNMSSA-N 490.774 5.623 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccccc1 408742041 MPQPFSBPHLFPGR-PXNMLYILSA-N 492.189 7.425 50 40 JKGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Cl 408746146 BSYMHAIKOPUOQJ-JYRVWZFOSA-N 452.135 5.866 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)C(=O)Nc1ccc2ccccc2c1 408761628 ACJHZORKJRZXHZ-HYARGMPZSA-N 481.939 6.056 50 40 JKGB CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2F)c(Br)c1 408768947 MRQXUQXEYMRGGO-CHHVJCJISA-N 496.174 5.361 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1 408783434 PCNVPOKZDFWNBO-JAIQZWGSSA-N 473.400 6.131 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2C)c1 408850798 RHAQSDNVBHSOPV-HWIUFGAZSA-N 486.619 6.933 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1Cc1ccccc1Br 408865062 AVOKUSLMCKFXKY-FYJGNVAPSA-N 461.359 5.903 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OS(=O)(=O)c1ccc(C)cc1 408897125 VWXHDRJHNUOEAC-PXLXIMEGSA-N 490.581 5.324 50 40 JKGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408915618 YYURPNXGEIJGGP-VFLNYLIXSA-N 480.395 6.142 50 40 JKGB O=C(N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1cccc(Br)c1 408923374 ICTFDUHNYOVGKF-RWPZCVJISA-N 493.788 6.599 50 40 JKGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc(Br)cc(OC)c3o2)c1C 408964792 FAJWYOVYIZQQKF-MZJWZYIUSA-N 494.389 5.938 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 409046342 KEXZKTJQLUMUNP-CAOOACKPSA-N 459.716 7.198 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2F)c(Cl)c1 409054230 SYEIJAOATCWZJE-RPPGKUMJSA-N 475.745 5.893 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cc(Br)ccc2O)c1OCc1ccc(Cl)cc1 409091683 RKNGWMBTQCROTK-BRJLIKDPSA-N 489.753 5.160 50 40 JKGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1 409119747 QQZJFCGQPRGDTI-ROCQKPIASA-N 460.430 6.340 50 40 JKGB CN1C(N)=C(C#N)[C@@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2)C2=C1CCCC2=O 409138140 ZCEQXVADBPBVIK-JOCHJYFZSA-N 498.808 5.411 50 40 JKGB COc1ccc(-c2csc(N(NC(=O)c3ccc(C)cc3)C(=O)Nc3ccc(C)cc3)n2)cc1 1415230 ASSKHDHEQRTDQU-UHFFFAOYSA-N 472.570 5.819 50 40 JKGB Cc1ccccc1C[C@H]1S/C(=C(/C#N)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(F)cc2)C1=O 1790105 GTWDTRRZWTWDRP-YMGIJWJESA-N 491.975 5.853 50 40 JKGB O=C(N/N=C/c1cccs1)c1cc(-c2ccc(/N=C/c3cccs3)cc2)nc2ccccc12 2292375 QGZLACFZPOOXRR-ODBZBXGJSA-N 466.591 6.539 50 40 JKGB CC[C@H](Nc1ccc(OC)cc1)C(=O)N/N=C\c1ccccc1OCc1ccc(Br)cc1 8397229 SJWCDPXAOGWNPI-PXDDYHHSSA-N 496.405 5.378 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(Br)c1O 8995934 JYAHQFOASBHYLK-ACAGNQJTSA-N 458.293 5.259 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1 9056572 DZMLLTPUEMLQJT-PTNGSMBKSA-N 464.821 5.494 50 40 JKGB O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1cccc2ccccc12 9380674 OVVUWJMTGWYWJC-MWLSYYOVSA-N 485.012 6.134 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1F 10130309 KZYMKEBIGNGIPV-AQTBWJFISA-N 493.922 5.441 50 40 JKGB Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=C(\C#N)C(=O)Nc1ccccc1C(=O)O 13030181 QLPAGSIKZORESJ-UKTHLTGXSA-N 489.746 5.444 50 40 JKGB Cc1cc(-n2c(C)cc(/C=C(/C#N)c3nc4ccccc4[nH]3)c2C)ccc1I 16282353 NQAVKFGUPCXQPE-PDGQHHTCSA-N 478.337 5.948 50 40 JKGB CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 16805136 AEFBRIBSDKUVLE-RCCKNPSSSA-N 468.944 5.425 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC)=C(C#N)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 20135246 QWLRXJHMGIYFBW-RUZDIDTESA-N 476.598 5.452 50 40 JKGB N#CC1=C(N)OC2=C([C@H]1c1ccc(Cl)cc1)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12 20558508 UMIJUWVWHPWIJR-QFIPXVFZSA-N 493.947 5.006 50 40 JKGB COc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc(Br)c1OC 28217927 NLGBEVVRVVUKHV-LGJNPRDNSA-N 497.414 5.420 50 40 JKGB O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 32116867 DWOXBWJXQJPSMN-UUYOSTAYSA-N 456.867 5.072 50 40 JKGB Cc1c(Br)c(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccccc1 59104489 YUDDYJCDNAEUIM-FSJBWODESA-N 475.184 5.383 50 40 JKGB CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 59336167 IQFXFQADNUCSIR-JYRVWZFOSA-N 498.160 5.243 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)c1 59432950 ISBLXNHITZHKOG-KGENOOAVSA-N 461.359 6.191 50 40 JKGB CCOc1ccc(Br)cc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1 83292286 ODUGURBLVVRYNK-FBHDLOMBSA-N 466.129 5.120 50 40 JKGB O=c1nc(Nc2ccccc2)ccn1/C(=N\[C@H](Cl)c1ccccc1)C(Cl)(Cl)Cl 100928704 ZEHRKWKTQWKYAD-CVNUAIRLSA-N 456.160 5.541 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2cccs2)C2=C(O)CCCC2=N1 102572599 PPBVHRXLLPEBLV-OAQYLSRUSA-N 470.019 6.351 50 40 JKGB Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)c1 207036599 ZRTHKLKASRZOJK-MOSHPQCFSA-N 459.471 6.563 50 40 JKGB COc1cc(SC#N)ccc1N/C=C1\C(=O)N(c2ccc(Br)cc2C)N=C1C 408535653 UCVNUNKANJRIQZ-YBEGLDIGSA-N 457.353 5.058 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1OC 408580299 NZYAGJBEFUIZMG-VZUCSPMQSA-N 460.098 5.679 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)Cn1cnc2ccccc21 408691669 KYKVLYGRQOSHKP-STZFKDTASA-N 494.392 7.138 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1cccc(Cl)c1Cl 408752199 GJLZDGLQMHIQNE-YBEGLDIGSA-N 489.200 6.709 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)cc1 408795701 VYSLIRAKSGHLMX-CIAFOILYSA-N 490.943 5.568 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)cc1 408801923 WUMJVDWMLQBZJQ-CPNJWEJPSA-N 481.777 6.536 50 40 JKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 408803035 KOFDPQFNVHPOHA-GXDHUFHOSA-N 482.290 5.480 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Br)c1 408804043 VFZLTIZGHMQVJA-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1ccccc1Cl 408806114 AIQTVBIUFJBQDB-DEDYPNTBSA-N 481.379 6.825 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)c1Cl 408809127 IDCJAVPZLNRYFM-FOWTUZBSSA-N 498.366 6.669 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3ccccc3)cc2)cc1 408809587 HFCBPLAZUIOLDU-JDCMOKTRSA-N 455.561 6.884 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(C(C)C)cc4)cc3)cs2)cc1 408841917 IPVKGMDNVIYQOV-LQKURTRISA-N 454.599 6.749 50 40 JKGB COc1ccc2cc(/C=N/NC(=O)c3ccc(CSCc4ccccc4)cc3)c(Cl)nc2c1 408863838 QLQFJZRKNSOQSL-RWPZCVJISA-N 476.001 6.094 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c([N+](=O)[O-])c1 408889984 MEBXZABYGAGVEG-LICLKQGHSA-N 498.322 6.035 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1OCc1ccccc1Cl 408891078 KZCQEVRMLQPKIR-QGOAFFKASA-N 453.325 6.127 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)c(OC)c1 408896119 MZBIYIQUWLESAO-WOJGMQOQSA-N 493.903 5.390 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 408906306 GDICFZMTFPMKLG-QUPMIFSKSA-N 491.657 5.359 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(O)cc1 409071593 HKWOQPWQOHTEQP-RVDMUPIBSA-N 489.336 5.012 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Br 409212521 QNMCESVUFGKWGV-WSDLNYQXSA-N 454.821 5.191 50 40 JKGB Cc1ccc(-c2ccc(/C=N\NC(=O)COc3cccc(Br)c3)o2)c(Br)c1 409231714 LQBBBNQJTCYWAU-KSEXSDGBSA-N 492.167 5.309 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1cccc(C(=O)O)c1 1173185 IONBYZCKIIXGRL-RGVLZGJSSA-N 476.916 5.480 50 40 JKGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(CC)cc3)nnc2-c2ccccc2)cc1 1831187 UWLAGQHTCUNHFY-MTDXEUNCSA-N 485.613 5.138 50 40 JKGB CC(C)(C)c1cc(CCC(=O)NN=C(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O 1954895 CELLQZLZGNKLFO-UHFFFAOYSA-N 456.630 6.489 50 40 JKGB CCCCOc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C(C)C)cc3)CC(=O)N2)c1 2312311 OPKWYZGRCAKZOL-QHCPKHFHSA-N 477.630 5.699 50 40 JKGB O=C1c2ccccc2C(=O)c2c(Br)cc(C(Br)Br)cc21 4266088 PJJJZJQMHAMUDW-UHFFFAOYSA-N 458.931 5.013 50 40 JKGB biogenic O=C(COc1ccc2ccccc2c1Br)NNC(=O)c1ccc(-c2ccccc2)cc1 8398659 RTAHCPMHIYWSCV-UHFFFAOYSA-N 475.342 5.109 50 40 JKGB Cc1ccc(-c2n[nH]c3c2[C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(C#N)=C(N)O3)c(C)c1 8410498 OPHCPAAXKFHGOV-QFIPXVFZSA-N 470.617 6.212 50 40 JKGB COc1cc(/C=N/NC(=O)[C@@H](C)Nc2ccc3ccccc3c2)ccc1COc1ccc([N+](=O)[O-])cc1 8742358 GNYMIMVGFJEOJC-HRJIBFCWSA-N 498.539 5.286 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1cc(Cl)ccc1Cl 8860756 IFAMFGSVTXNOIK-KGENOOAVSA-N 473.359 7.271 50 40 JKGB N#C/C(=C\Nc1ccccc1SC(F)(F)F)c1nc(-c2ccc(Br)cc2)cs1 9008147 JFUQVLOMAXPGMY-JLHYYAGUSA-N 482.350 7.161 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1)c1nc2ccccc2[nH]1 9187461 WXNWGPAJMKGVPV-PTGBLXJZSA-N 498.542 5.876 50 40 JKGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2ccccc2OCc2ccc(Cl)cc2)[nH]n1 12465516 DWLVRHSQJXOWJX-WKULSOCRSA-N 483.959 5.863 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)c1C 13660446 YSMPWSBYHXXMKD-ABPPERTMSA-N 453.567 5.368 50 40 JKGB C/C(=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1)c1cc(Cl)ccc1Cl 16035728 CDBODNYMHHXFJP-WSDLNYQXSA-N 468.387 5.010 50 40 JKGB O=C(/C=C(\SS/C(=C\C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 17107267 RDQLJLYLKAZUSR-DHQAUHHZSA-N 478.638 8.216 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1C 27018073 FOXQOWZSJTWUAF-PGMHBOJBSA-N 462.578 6.920 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C\c3cc(Br)c(O)c(OC)c3)n2)cc1OC 31906013 FBZIDOFNNDQJJP-NSIKDUERSA-N 473.348 5.368 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1cccc([N+](=O)[O-])c1 33567309 GHWUFUZTYIALMN-RPPGKUMJSA-N 467.312 5.669 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 33756718 HZTABQPSPSGPBN-ZDLGFXPLSA-N 480.274 5.909 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c3ccccc32)c1 33783549 XCOBYPHEMFHUMJ-MOSHPQCFSA-N 469.928 5.675 50 40 JKGB CCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 38680374 LRPAYRBKCNDUFX-HSZRJFAPSA-N 478.907 5.705 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1ccc(OC)cc1 59117687 MTARZCYMYTXLEU-RCCKNPSSSA-N 456.498 5.167 50 40 JKGB O=C1OC(=O)c2ccc(-c3nc(-c4cccc([N+](=O)[O-])c4)[nH]c3-c3ccccc3)c3cccc1c23 98000422 ALGMWPAMJQQBHV-UHFFFAOYSA-N 461.433 5.783 50 40 JKGB Cc1cc2c(cc1/C=N/NC(=O)COc1ccc(Br)cc1)[C@H](C)CC(C)(C)N2C 208215872 MYKOYULQJJQOCV-IXBOPPFXSA-N 458.400 5.009 50 40 JKGB CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(C)cc2)cc1OCC 408540024 LVQCCELRKQGQEL-XYGWBWBKSA-N 461.400 5.879 50 40 JKGB O=C(N/N=C/c1ccccc1Cl)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 408727368 WCKYEIGWVDYXCN-RDRPBHBLSA-N 450.929 6.110 50 40 JKGB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1 408787995 BWMJXTVIZUZAMQ-UHFFFAOYSA-N 489.963 5.827 50 40 JKGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12 408800774 QWAAOGRKYWVVCX-ICVZWXRDSA-N 476.418 6.054 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1O 408815666 XRZVDLPKLRHGHR-VZUCSPMQSA-N 470.548 5.425 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc2ccccc2c1 408820854 ZSUPBBFGAPZJEA-ONUIUJJFSA-N 462.524 6.832 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408848321 TYYJOJRUGAQMMB-RPPGKUMJSA-N 472.328 5.861 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cc(C)c(OCc3ccc(Cl)c(Cl)c3)c(C)c2)cc1 408859608 VQDLSCSCLIURDR-UVHMKAGCSA-N 457.357 5.962 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1Cc1ccccc1Br 408877733 YDJQLCIYHIBOAN-KGENOOAVSA-N 461.359 5.984 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccccc1 408885600 CRFWXIQUSKPXDT-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)ccc1Br 408904377 INBKZEPXKHNBMR-RMORIDSASA-N 467.150 6.480 50 40 JKGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 408972535 DKHLZOUNRAMUOA-FDBZCLHMSA-N 498.435 5.574 50 40 JKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)o2)c(Br)c1 408989235 SRVIZNCBXJUWAI-RVDMUPIBSA-N 455.739 6.525 50 40 JKGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1cccc(Br)c1 409024930 ZIDZBZQLDCSXCS-SRZZPIQSSA-N 451.798 6.079 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409065493 MEUYOHUAZGADCT-SFQUDFHCSA-N 487.364 5.615 50 40 JKGB CN1C(N)=C(C#N)[C@@H](c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C2=C1CCCC2=O 409133527 MUCBJXKSUQVPBD-OAQYLSRUSA-N 488.802 5.956 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 409203932 ZFCKGCWAGKRCAB-ZDLGFXPLSA-N 453.267 6.140 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)CNc2cccc3ccccc23)c1C 409391176 HOVGUVRQBKAQKB-RWPZCVJISA-N 455.518 5.026 50 40 JKGB CCCCCCOC(=O)N/N=C/c1ccc(NCc2nc3cc(C(=O)OCC)ccc3n2C)cc1 2356096484 MUSJWDXIMZQWJX-OGLMXYFKSA-N 479.581 5.003 50 40 JKGB N#CC1=C(N)Oc2cc(O)c(/C=N/c3cc(C(F)(F)F)ccc3Cl)cc2[C@H]1c1ccco1 711719 QDFIVRFZLZFSNC-YNOBVJJRSA-N 459.811 5.626 50 40 JKGB Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccc(Cl)cc3Cl)s2)cc1 1757409 AYOZDNCMDBGNBJ-LSFURLLWSA-N 483.471 5.688 50 40 JKGB COc1ccc(-n2c(SCC(=O)N/N=C/C(C)=C/c3ccccc3)nnc2-c2ccc(C)cc2)cc1 1833893 BPDUHOLKHYSONW-GLKHXJLKSA-N 497.624 5.549 50 40 JKGB CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1OC 1906146 BIMOONUIDKBNQL-DEDYPNTBSA-N 479.577 5.996 50 40 JKGB CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 2200468 GSNSZNCQKWAQEO-SILNSSARSA-N 491.573 5.193 50 40 JKGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3C)nc3c(C)cccn3c2=O)cc1 2224328 QSIXBVPDUHIXJV-PXLXIMEGSA-N 485.565 5.059 50 40 JKGB Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)s2)cc1 2352787 AHFUKBBKJQDPIW-CPNJWEJPSA-N 470.510 5.756 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)sc(C(C)=O)c1C 2403368 QACKJLUTYLKGIR-BOPFTXTBSA-N 451.573 5.844 50 40 JKGB C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 2553703 LDFOUFLWLDNPOR-WOJGMQOQSA-N 484.408 6.460 50 40 JKGB O=C(Nc1ccc(SSc2ccc(NC(=O)c3cccs3)cc2)cc1)c1cccs1 3197211 YNKDPDRJSPENCZ-UHFFFAOYSA-N 468.650 7.114 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1nc2ccccc2s1 8721976 XGIDTUUYYJNSLC-GZTJUZNOSA-N 481.802 7.355 50 40 JKGB Cc1c(C(=O)Nc2ccc(SC#N)cc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 8753784 SJQQFKRDOKQAIF-UHFFFAOYSA-N 452.499 5.209 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C/c1cccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c1)c1ccccc1 9439958 DDYBXSYIBASVAM-HVBRQYQASA-N 474.564 5.255 50 40 JKGB CCOc1cc(/C=N/NC(=O)CCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 14407657 PMOLXJQCODCFBZ-LQKURTRISA-N 471.384 6.054 50 40 JKGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(C(C)C)cc2)C2=C(CCCC2=O)N1 20347697 LFVYSQXPBZPMFD-SANMLTNESA-N 471.626 5.919 50 40 JKGB O=C(N/N=C\c1cccc(O)c1)c1cc(-c2ccccc2OCc2cccc3ccccc23)n[nH]1 30735333 RZBYFZFZGCCTEZ-RHANQZHGSA-N 462.509 5.278 50 40 JKGB CCCOc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2CC)cc1 31875830 XJOQINSIRMXHPV-PKAZHMFMSA-N 479.650 5.294 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(F)c(Cl)c1 34859219 CXQIHHOPHAWOIF-OPEKNORGSA-N 470.913 5.773 50 40 JKGB C/C(=N\NC(=O)CSc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 58916962 UTORUVKJUZOYFI-QGTRCFDMSA-N 488.056 6.799 50 40 JKGB C/C(=N\NC(=O)COc1ccccc1C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 58917063 CILNRWZYQODQDP-SQTDLSJZSA-N 486.015 6.394 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl 59116813 ASGNTVQYQAAKSV-WJDWOHSUSA-N 471.315 6.266 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 59117670 HJFAOJGOFURLKU-UYRXBGFRSA-N 481.379 6.825 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 59255556 FAROTLHUDNUREV-DEDYPNTBSA-N 451.353 6.680 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)c(Br)c2)cc1 59335211 BKVWYPGYHJROBC-GRSHGNNSSA-N 491.341 5.611 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)NCc1ccco1 59534049 UFVWYLIWQRYDNS-FYJGNVAPSA-N 487.353 5.998 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1 95100367 GEKXUBAAUATSSQ-LDADJPATSA-N 475.957 6.083 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)c1ccccc1C(Br)Br 95567028 FSYDRAFUKJTMQN-UHFFFAOYSA-N 450.110 5.114 50 40 JKGB O=C(F)[C@@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F 95681859 YSIGVPOSKQLNTO-VVJJHMBFSA-N 498.060 5.355 50 40 JKGB C=C(CO)[C@@H]1CC[C@H]2[C@]3(C)CC[C@H]([C@H](C)CC/C=C(\C)C=O)[C@@]3(C)CC[C@]23C[C@]13CCC(=O)OC 96023730 ILOHMDKQENYFEG-YSIJHDMVSA-N 484.721 6.669 50 40 JKGB biogenic,in-vitro CCCCC/C=C\C[C@H](Cl)[C@@H](Cl)CCCCCCCC(=O)[C@H](C(=O)O)[C@H](O)C[N+](C)(C)C 100500846 WZOYZEOQYHNNJM-LAKJLWEBSA-O 495.552 5.796 50 40 JKGB O=[N+]([O-])c1ccc(N[C@@H](c2ccc([N+](=O)[O-])cc2)P(=O)(c2ccccc2)c2ccccc2)cc1 104822553 QEKIQFQZJMCSTK-RUZDIDTESA-N 473.425 5.628 50 40 JKGB CCN1c2ccc(/C=N/NC(=O)c3cc(Br)ccc3OC)cc2[C@H](C)CC1(C)C 208312061 RMVRUMDKNMSZOX-PVLQNKMRSA-N 458.400 5.334 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4ccc(F)c(Cl)c4)cc3)[nH]c2cc1C 408608982 YARBCRMBFOWBFQ-WOJGMQOQSA-N 474.923 6.054 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408788162 ITNDYUWYJBAKCH-HYARGMPZSA-N 471.513 5.735 50 40 JKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2Cl)c1 408789840 RYJXQKNUHLCUTL-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c1C 408791378 WTURRHZCDWTGNM-DJKKODMXSA-N 496.350 6.643 50 40 JKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)o2)c(Br)c1 408795870 NKHANDSUQKESKQ-XNTDXEJSSA-N 455.739 6.525 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1Cc1cc(C)cc(C)c1 408869322 BUPREYWUJVQVGZ-MFKUBSTISA-N 468.553 5.625 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(F)cc1 408880109 DGDKWDHXPOTUSD-WOJGMQOQSA-N 469.741 6.378 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(OC)c2)cc1 408891190 MSOXMGZAFSHKQG-KGENOOAVSA-N 491.385 6.145 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(C)cc1 408894802 IXFSNDFNSPUHPS-MUFRIFMGSA-N 458.945 6.153 50 40 JKGB CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1C 408959726 DSTQAQQOOGZJLU-STZFKDTASA-N 462.391 6.273 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc2c(c1)OCO2 408983895 OAEZDIUPUCKSET-XKZIYDEJSA-N 486.955 6.230 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)c1 409038744 AYKHCALJRXDSCY-LDADJPATSA-N 463.896 5.351 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1 409041900 KQIXLHXFUKCOIQ-LDADJPATSA-N 463.896 5.351 50 40 JKGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OCC 409045967 QKYIBMGWIZLKEX-YKQZZPSBSA-N 483.955 5.730 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)cc1 409049227 VSVCFTNRUFPXRY-VCHYOVAHSA-N 482.323 6.335 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1ccccc1 409194090 NQBUSMPLDLQDCV-UNOMPAQXSA-N 469.379 5.393 50 40 JKGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)cc(Cl)c3)=C2C#N)cc1Cl 409325585 ZKTOCZLZVFFRRH-OAHLLOKOSA-N 496.803 5.366 50 40 JKGB Cc1nccn1-c1ccc(Cl)cc1/N=C/c1ccc(N(CCCl)CCCl)cc1Cl 1734914 QWFZBAFEGWJXHM-MZJWZYIUSA-N 470.231 6.522 50 40 JKGB CC(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1)N2 6074181 BGFCFSUMQMMXNS-GGJIVPGBSA-N 479.001 6.836 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1)c1nc2ccccc2[nH]1 8442356 ZXNMHWDUYXBDLT-RVDMUPIBSA-N 450.376 6.346 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 8812480 GQLSGSJHOFEJHP-XODNFHPESA-N 454.332 6.208 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccc(C)cc1 9296184 HXAXQRULFAOIOC-HSZRJFAPSA-N 493.357 5.269 50 40 JKGB Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c1 13758188 ZYHIVNVEIWMLPY-KGENOOAVSA-N 491.956 5.095 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc(Cl)c(Cl)c1 13940936 BKARBWZLDQOGDA-YDZHTSKRSA-N 497.498 6.078 50 40 JKGB CC(C)c1ccc(N(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)S(C)(=O)=O)cc1 16575874 ASKVQMZJMSZTME-OGLMXYFKSA-N 473.598 5.033 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc(C#N)c3)c(OCC)c2)cc1 20198017 XFEMZYUBZGUTIZ-OCSSWDANSA-N 491.975 5.742 50 40 JKGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)CC1 20240527 YJRMJPBPZRGQTA-STBIYBPSSA-N 497.426 5.088 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3cc4ccccc4cc3O)c2C)cc1 20243891 BLOZFXGGTLTEHI-MZJWZYIUSA-N 476.374 5.788 50 40 JKGB C/C(=N\NC(=O)CSC1c2ccccc2-c2ccccc21)c1ccc(I)cc1 20247399 DUGBTSFLJMBTPP-MFKUBSTISA-N 498.389 5.635 50 40 JKGB N#C/C(=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 59336414 CDDJUHPGIQPBKD-ATVHPVEESA-N 491.334 6.450 50 40 JKGB Cc1cc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc(C)c1Cl 67192509 MAYSXPXFYFHJHS-YSURURNPSA-N 462.289 5.308 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccc1 96663171 SBQWUNRGKBLXGZ-HEFLVWMHSA-N 488.587 6.629 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)c2ccc(Cl)cc2)cc1Cl 408579248 FIGCRERXTYHRDX-VCHYOVAHSA-N 471.771 7.037 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 408581233 HSUNUKFKDUNIAE-CPNJWEJPSA-N 499.972 5.588 50 40 JKGB O=C(NNc1ccc(OCc2c(Cl)cccc2Cl)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 408610350 TVNQCJYVXHNNFF-INIZCTEOSA-N 470.356 5.069 50 40 JKGB Cc1ccc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)nn2-c2ccc(C)cc2)cc1 408724263 JFGOFKNZRSXJDZ-UXHLAJHPSA-N 460.537 5.779 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1OCc1ccccc1Cl 408726477 RXRDHFSZFZNCOG-UNOMPAQXSA-N 454.751 6.754 50 40 JKGB CCOc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCc1ccc([N+](=O)[O-])cc1 408744096 YQVZPBAMFWIAQP-NHDPSOOVSA-N 493.523 5.581 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC)cc2OCC)c1 408745701 OJOKTEXTOSPYQJ-YBEGLDIGSA-N 459.340 5.191 50 40 JKGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1 408755984 QFKPKFUWJABNAW-DHRITJCHSA-N 495.402 5.147 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc2ccccc2c1 408757850 DHFFXUIJXKMFMV-PXLXIMEGSA-N 452.897 6.258 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 408792986 CMHKQTNHALQQIA-CIAFOILYSA-N 490.943 5.734 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408794348 IVSFSIBAMLDWLG-XDHOZWIPSA-N 481.335 5.905 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2Cl)cc1C 408802237 XUAGLIVYXURSEV-SRZZPIQSSA-N 465.380 7.043 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl 408870442 DQVJWUXAXWVOAE-LGJNPRDNSA-N 488.327 5.182 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Br)cc1 408888136 SRRYAYBGLWTAIC-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccccc1 408890372 RYSWFVTVHCOUKO-NBVRZTHBSA-N 482.945 5.052 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(Br)cc1 408997776 SUWLYRBZQDWCCO-MSXFZWOLSA-N 460.759 5.039 50 40 JKGB C#CCOc1cc(Br)c(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OCC 409023327 JWPJQKVGHPTCHN-MSXFZWOLSA-N 475.726 5.023 50 40 JKGB CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 409043097 PSQGRHFTKZGKDG-MDWZMJQESA-N 498.602 6.199 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(Br)cc1OCc1ccc(C)cc1 409139741 BTMKTGJKKNMXMF-XMMPIXPASA-N 493.357 5.269 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 409143445 FHLIIOYILYSBLR-VULFUBBASA-N 487.781 5.383 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1OCC 409317253 TTZVZTAIVTUZEF-MBTHVWNTSA-N 487.383 6.134 50 40 JKGB c1ccc([C@@H]2OC([C@H]3CCCCN3P(c3ccccc3)c3ccccc3)=N[C@@H]2c2ccccc2)cc1 1988188009 IRYXEIDYJWFGAJ-OLUZHXLYSA-N 490.587 6.800 50 40 JKGB Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 934937 GNMXMVJQJIXGAG-OGCOBRASSA-N 488.012 5.391 50 40 JKGB O=C(OCc1ccccc1)[C@H]([C@H](Cl)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 1634182 HFJBLPMMCYRPGA-WDYNHAJCSA-N 470.012 6.781 50 40 JKGB Cc1ccc(-c2cc(NC(=O)CCl)n(-c3nc(-c4ccc(Br)cc4)cs3)n2)cc1 3764181 AKPKJKMSIJTHFT-UHFFFAOYSA-N 487.810 5.911 50 40 JKGB COc1cc(/C=C(\C#N)c2ccccc2)c(Br)cc1OCc1ccc(Br)cc1 4196307 FBHWGWRIFJWXTD-YBFXNURJSA-N 499.202 6.863 50 40 JKGB O=C(NNc1ccnc2cc(Cl)ccc12)/C(=C\c1ccccc1Cl)NC(=O)c1ccccc1 5734053 ZPAXASWMGIZMAR-OEAKJJBVSA-N 477.351 5.456 50 40 JKGB C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 9010265 TVKWLAPEUOAAHY-HMIXUQBKSA-N 473.576 6.526 50 40 JKGB CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)cc1 9291926 GJKCEYSXFIIFLC-ZBJSNUHESA-N 492.579 5.050 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1ccc(F)cc1 9428579 IXICHGGQCVZYRC-OVVQPSECSA-N 465.598 5.530 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCc1ccc(Cl)cc1Cl 10039240 GZBLLIZLJFUNLM-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccs2)C(C#N)=C(SCc2ccccc2Cl)N1 12250344 OXYKQGVJGLSZMK-XMMPIXPASA-N 492.069 6.978 50 40 JKGB COCc1cc(C)nc2sc(C(=O)N/N=C/c3ccc(-c4ccc(F)cc4)o3)c(-n3cccc3)c12 12445336 YAWAUGRBVURXKX-CCVNUDIWSA-N 488.544 5.705 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1Cl 13923020 NTDACSLEKUWYFP-KKMKTNMSSA-N 490.774 5.623 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CCSc3ccc(Cl)cc3)o2)cc1 16157601 TWBXNZRVSACEOA-MFKUBSTISA-N 456.951 5.409 50 40 JKGB CCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 17286291 OVQJPVIBPSRBKH-NBVRZTHBSA-N 457.511 5.460 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1Cl 20348460 ORBQSTZFENRPHP-XMMPIXPASA-N 494.016 5.446 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1 27836589 JNIYTBHDDQMKBP-LICLKQGHSA-N 489.336 6.042 50 40 JKGB N#Cc1ccccc1COc1ccc(/C=N\NC(=O)c2cccc(Cl)c2)cc1Br 32138982 ZNKIHAZTCPYRME-ZMFRSBBQSA-N 468.738 5.317 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccccc3)c2C)sc2c1CCCC2 33409234 UMGHOLNMSDNRBD-PXLXIMEGSA-N 487.625 5.435 50 40 JKGB CCN(CC)c1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1 33410826 OMXMTJBLJRPZFL-FSGOGVSDSA-N 484.600 5.876 50 40 JKGB FC(F)(F)C(F)(F)C(F)(F)C[C@@H](I)C(F)(F)C(F)(F)C(F)(F)F 103528865 CIGOJCZEMQHHLS-UWTATZPHSA-N 491.988 5.846 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1cccc(C)c1 107686143 JSIPRWSLCVGRTN-JMIUGGIZSA-N 479.330 6.318 50 40 JKGB CCOc1cc(COc2ccccc2/C=N\NC(=O)c2ccccc2)ccc1OCc1ccccc1 408540010 LRVNFGQPGJMJJP-GTWSWNCMSA-N 480.564 6.007 50 40 JKGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1 408603834 HFVWCVWPNCWHPD-RWPZCVJISA-N 479.964 5.023 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1cccc(Br)c1 408763078 HHRMUKQJFBRYEH-PDGQHHTCSA-N 478.302 5.482 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 408806270 MIRGODJNLDRGOI-GZTJUZNOSA-N 499.876 5.922 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2c(C)ccc3ccccc23)c1 408813666 NSNKTHZDSOYSEV-BUVRLJJBSA-N 480.995 7.543 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 408817170 VGNVEBDJJRAVJT-GRSHGNNSSA-N 485.342 5.943 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc(I)cc2)o1)c1cc2ccccc2o1 408858000 OOQCGVVJLXHGBP-UUYOSTAYSA-N 456.239 5.061 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccccc1C(=O)O 408888858 BXEXRPQLULFIAV-LDADJPATSA-N 477.314 5.272 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408894560 IPSGFKPCKHRFFV-UVHMKAGCSA-N 477.775 6.388 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Br)c1OC(C)C 408903993 CCRIAIILDNLUKY-KSEXSDGBSA-N 490.310 5.053 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 408957960 WQJUGBOIFAEHCD-VYYCAZPPSA-N 457.357 6.043 50 40 JKGB O=C(N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)Nc1cccc(Br)c1 409187033 LDWLVROCHXOOHY-NHDPSOOVSA-N 456.325 5.225 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409255091 HCWSLSXSWCABGB-PXLXIMEGSA-N 469.541 5.265 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 409269899 AULUFETWYPJFIH-WQRHYEAKSA-N 480.351 5.865 50 40 JKGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)c(Cl)c3)=C2C#N)cc1 409311364 GBNAVTNIEKJQSD-INIZCTEOSA-N 476.385 5.103 50 40 JKGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(-c2c(Cl)cc(Cl)cc2Cl)s1 703643 QSUWTJOAZQJHFX-QGZVFWFLSA-N 451.762 6.190 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)sc(C(C)=O)c1C 2195288 DVYNKINANDERAL-WJDWOHSUSA-N 467.572 5.545 50 40 JKGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(CSc2cc(Cl)ccc2Cl)c(C)cc1C 2727739 RZZSKTDHBYOTTO-JOCHJYFZSA-N 489.424 6.157 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)ccc1Oc1nc(Cl)ncc1F 4065278 CPEVHSHWSBUFOY-VFLNYLIXSA-N 493.926 5.241 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(F)c(Cl)c1 4081818 UYPNBFPVSVFROR-RCCKNPSSSA-N 462.956 5.142 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)n1 4106422 WCMKUZQHAXNQHK-UVHMKAGCSA-N 478.021 5.301 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCCOc1ccc([C@H](C)CC)cc1 4196623 YPDZUXGTNGETKQ-GVRUPNCLSA-N 486.568 7.029 50 40 JKGB CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cccc(Br)c1 12401436 VGLJIKJIVJYBOS-WYMPLXKRSA-N 475.387 5.240 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(Cl)cc1Cl 15223221 XIXYTMQAFCHLFF-WQRHYEAKSA-N 483.351 6.222 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cc1C 16735947 WRPULUUUMLZDND-JWGURIENSA-N 478.552 5.801 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccccc1 19849567 DGGFKLQQAWULBN-ONUIUJJFSA-N 461.978 5.220 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 20195227 MBRYNXZEZDVOPR-RWPZCVJISA-N 495.963 5.536 50 40 JKGB C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1C)c1ccc(NC(=O)c2ccco2)cc1 20352734 LOEIJTCXLWMMLC-WPWMEQJKSA-N 453.926 5.193 50 40 JKGB CC(C)OC(=O)Oc1ccc(/C=C(C#N)/C(C#N)=C\c2ccc(OC(=O)OC(C)C)cc2)cc1 30738772 VWZUTFNCBGWYMX-VOKWCDJLSA-N 460.486 6.048 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1 32125505 DDJXOQLLBNXPKW-RMORIDSASA-N 461.330 5.143 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 33794242 ZDZLIIAJUOTQJH-ZDLGFXPLSA-N 495.894 5.868 50 40 JKGB Cc1ccc(OCCn2cc(/C=C(\C#N)C(=O)NCc3cccs3)c3ccccc32)cc1C 59109657 CFIPMGOXIAZPRL-RCCKNPSSSA-N 455.583 5.622 50 40 JKGB N#CC1=C(SCC(=O)c2ccc(Br)cc2)N=C2CCCC(O)=C2[C@@H]1c1ccco1 102305348 XVYPJUDBXXSIGZ-FQEVSTJZSA-N 469.360 5.928 50 40 JKGB aggregator Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C(/C#N)C(=O)Nc1cccc2ncccc12 102970635 YAPQWOYWQMJIGQ-PTNGSMBKSA-N 481.865 5.947 50 40 JKGB Cc1cc2c(cc1/C=N/NC(=O)COc1ccc(Br)cc1)[C@@H](C)CC(C)(C)N2C 208215917 MYKOYULQJJQOCV-WJNWYLSZSA-N 458.400 5.009 50 40 JKGB O=C(N/N=C/c1ccc(N2CCCC2)cc1)c1cc2cc(Br)cc(Br)c2o1 209527142 RTGCJXKEOYSLBM-FSJBWODESA-N 491.183 5.322 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1ccc2ccccc2c1 408548576 IYPUXNZYZJRJID-JJFYIABZSA-N 464.779 8.443 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 408581199 HMMORXAHUMJVGP-XMHGGMMESA-N 469.946 5.579 50 40 JKGB CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=NNC(=O)CC#N)c2-c2ccccc2)cc1 408739952 GXZSGBIVBNTMNK-UHFFFAOYSA-N 476.536 5.352 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1 408747230 KTOXXZPZHMLKBU-PDGQHHTCSA-N 497.776 6.236 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1cccc(F)c1 408753923 LDOLICYVJADYMD-ODLFYWEKSA-N 495.348 6.112 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1F 408795184 LMDFDYJUEBWSLE-YBFXNURJSA-N 450.897 5.921 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1cccc(Cl)c1)C(O)(c1ccccc1)c1ccccc1 408807302 BSCYOLVHVBQYSK-NDZAJKAJSA-N 470.956 5.305 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1 408849117 VIHIMEBDMSJBFF-DICXZTSXSA-N 493.357 5.937 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1 408860038 XMDIEYVRPJPEKK-GZTJUZNOSA-N 451.841 5.512 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1-n1cccc1 408883274 UQLKRLRZLYEXOW-LQKURTRISA-N 464.352 6.127 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2Cl)cc1 408897025 PUSVSNCGGHWTPR-LQKURTRISA-N 458.901 5.485 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Br 409040191 FWARRAUAOJIKQO-CXUHLZMHSA-N 492.211 6.163 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OC)c1OCc1ccccc1Cl 409068232 IBGPBZOWIAOPRJ-KGENOOAVSA-N 456.929 6.861 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)ccc1OCc1cccc2ccccc12 409260265 NMMHTYHOLAHFQZ-UZWMFBFFSA-N 480.608 6.418 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2cc(C)ccc2C)c1 409263792 MRBHGNBHWKVAPR-FYJGNVAPSA-N 473.960 5.828 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1OC 409309433 HDMMFZZRBMPKCL-MBTHVWNTSA-N 468.912 5.395 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1OCC 409324713 VCHDDJDQPBMPFE-DICXZTSXSA-N 497.935 5.389 50 40 JKGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cccc(OCc2ccc(Br)cc2)c1 409369322 AVKJGDLUBLUEBQ-NDENLUEZSA-N 450.336 5.124 50 40 JKGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)c(Br)c1 409374940 BWMARNWYLXUMOF-ODLFYWEKSA-N 484.781 5.777 50 40 JKGB O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1ccco1 409397528 KXANRZIEPXKWDG-UHFFFAOYSA-N 467.456 5.550 50 40 JKGB N#CC1=C(N)Oc2c(Br)cc3cc(Br)ccc3c2[C@H]1c1ccccc1 692211 YJAOQWIYPDFWKU-KRWDZBQOSA-N 456.137 5.583 50 40 JKGB CCOC(=O)C1=C(C)NC(SCc2ccc(Br)cc2)=C(C#N)[C@@H]1c1cccs1 850052 QIHJCWFVFRMXOV-LJQANCHMSA-N 475.433 5.703 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 2357640 BFEZNVQGIZRJFL-YDYXIROLSA-N 457.530 5.199 50 40 JKGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 3206197 BSTKMNABKNTEAJ-GIJQJNRQSA-N 456.398 6.710 50 40 JKGB CCCCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 8386325 AZELCRFPHOPZMG-WEMUVCOSSA-N 494.720 7.669 50 40 JKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1OC 9495007 BORDKPOLLQNBFB-KGENOOAVSA-N 493.604 6.386 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 12586144 KCJLUFJSTRBTAA-CAOOACKPSA-N 469.328 6.163 50 40 JKGB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCl)[C@H]3c2cccc(F)c2)cc1 13894959 APKWIDAXTUYRLM-VKGTZQKMSA-N 490.962 5.974 50 40 JKGB Cc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1 20059426 MEFXZVZLQODBPX-ZTKZIYFRSA-N 483.593 5.154 50 40 JKGB Cc1cc(C(=O)N(NC(=O)C(O)(c2ccccc2)c2ccccc2)[C@H](C)c2ccccc2)cs1 22002031 GDATVQRHSVUJQS-OAQYLSRUSA-N 470.594 5.227 50 40 JKGB CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)c1 26779622 UVHBAUDLXYCFHA-XLNRJJMWSA-N 487.563 6.431 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1cc(Cl)ccc1Cl 33642441 IFAMFGSVTXNOIK-STZFKDTASA-N 473.359 7.271 50 40 JKGB CCCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1 40476986 BIASBTYNYLLRRZ-HAVVHWLPSA-N 459.615 6.942 50 40 JKGB O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 58886706 XFLDIKHVZLQYJK-NEQBGDHDSA-N 499.614 6.775 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1 59224989 LBBGQTRSNHTCIF-RCCKNPSSSA-N 484.397 6.560 50 40 JKGB COc1cc(C=C(C#N)C#N)cc(I)c1OCc1cccc2ccccc12 59536427 JAUZIIWQXBJXDU-UHFFFAOYSA-N 466.278 5.463 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 59536517 FHPYDEOAGYNPJI-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB Brc1ccc(N=P(c2ccccc2)(c2ccccc2)N2CCCc3ccccc32)cc1 101078094 HOFFTAAAWGOLCW-UHFFFAOYSA-N 487.381 7.301 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 408539927 KOVFBEZHKKNODI-XYGWBWBKSA-N 461.946 5.760 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccccc1Br 408592447 YFUNLZPWIQYJRF-JVWAILMASA-N 460.375 5.703 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)NNc3ccccc3OCc3ccc(Cl)c(Cl)c3)CC2=O)cc1C 408601607 BNSRJGLBXSYXAW-IBGZPJMESA-N 498.410 5.685 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)NNc3ccccc3OCc3ccc(Cl)cc3Cl)CC2=O)cc1 408606070 LIVIMXVKIBACKX-SFHVURJKSA-N 484.383 5.377 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)C(=O)Nc1cccc(Cl)c1 408609746 LHHNQSYJWJVCTA-RPPGKUMJSA-N 476.747 5.315 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccc(Cl)cc4Cl)c3)CC2=O)cc1 408613223 ZVFQHQVNKQJCKG-SFHVURJKSA-N 484.383 5.377 50 40 JKGB COc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)cc2OC)cc1 408735716 WULFQQDPFWLXBQ-DEDYPNTBSA-N 462.933 5.790 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 408745692 OGZZRFAPFLEPGD-AQTBWJFISA-N 476.363 6.551 50 40 JKGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 408751797 CKCVVSZVLGCOMY-GHRIWEEISA-N 496.350 5.565 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(I)c1OC 408761079 HLJFOOKXHBZFGY-VCHYOVAHSA-N 498.320 5.397 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC(C)C)c2)c(C)n1-c1ccc(-c2ccccc2)cc1 408784688 RTRNZTNAOOYEEW-OVVQPSECSA-N 475.592 7.094 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1c(C)cc(C)cc1C 408805572 GVOYRCVJISVURS-LOVJLPPPSA-N 460.618 6.191 50 40 JKGB COc1ccccc1OCC(=O)N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 408819803 RWYBJIKLPANFFS-KSEXSDGBSA-N 495.782 5.384 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1C 408844924 DLVHPDRMTGMESL-XQNSMLJCSA-N 450.513 6.720 50 40 JKGB N#C/C(=C\c1ccccc1Cc1ccccc1Br)C(=O)Nc1ccc(Br)cc1 408870037 VADRYKRQMLIZMD-XMHGGMMESA-N 496.202 6.348 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OCc2cccc(C)c2)c1 408875940 MOIMZMYNFCHWNL-UDWIEESQSA-N 466.459 6.147 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 408884960 WGLQDFTWKXIQCR-KGENOOAVSA-N 460.917 5.641 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1c(Cl)cccc1Cl 408893842 GGJDBGNQPSTYTF-LFIBNONCSA-N 482.279 5.666 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1 408896533 RREHFKFSNPBEKN-CAPFRKAQSA-N 484.533 5.167 50 40 JKGB O=C(N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1ccc(Cl)c(Cl)c1 408922754 GKBUYZIQRONEPO-VTNSRFBWSA-N 499.397 7.643 50 40 JKGB N#C/C(=C\c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)c1nc2ccccc2[nH]1 409092680 VPONRJKUASJXBR-NTUHNPAUSA-N 496.266 6.543 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)c(C)n1-c1ccccc1Cl 409111645 DQTUGCKULJXBNO-KBKYJPHKSA-N 480.848 6.438 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 409231766 KLRQMINIULMLQU-HAHDFKILSA-N 495.504 7.407 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3cccc4ccccc34)c2)cc1OCC 409316368 MMZZZMRPSFFFBV-FSGOGVSDSA-N 468.553 5.980 50 40 JKGB CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)c(Cl)c3)=C2C#N)cc1 409333097 IMGYBAMVJASECM-OAHLLOKOSA-N 478.426 5.426 50 40 JKGB Cc1cccc(Cn2cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@H](N)[C@@H]3C#N)c3ccccc32)c1 409336482 OHAXZMWOTTZBRS-CZOZMNFFSA-N 456.553 5.206 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)n1-c1ccc(F)cc1 2726741 NDPFSOVYELLHGJ-MHWRWJLKSA-N 461.846 6.451 50 40 JKGB CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1cc([N+](=O)[O-])c(C)s1 2728227 CAUIYUHPUOWBQH-CBVHTYNASA-N 476.352 5.188 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1ccc(COc2cccc3cccnc23)cc1 3279581 GZURBBNUZKGTBB-KBVAKVRCSA-N 465.484 5.977 50 40 JKGB CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1 9191973 OBJRANUOPMEJAV-LTGZKZEYSA-N 464.525 5.212 50 40 JKGB COc1ccc2nc(/C(C#N)=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)[nH]c2c1 9263531 GEAKPAPXMRSRGO-LICLKQGHSA-N 478.321 6.116 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCc1cccc(C(F)(F)F)c1 12659499 XZANVTTZUFMOSI-UDWIEESQSA-N 490.481 6.873 50 40 JKGB COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 13074675 SQVDFGWULSSSAR-KVSWJAHQSA-N 476.335 5.282 50 40 JKGB COCCOC(=O)C1=C(C)NC(SCc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccccc1Cl 20150279 PEUXJJKSAKFREV-QFIPXVFZSA-N 489.424 5.812 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CCSc3ccccc3)c2C)cc1 20243900 LPXQSAKLJHLWMZ-MFKUBSTISA-N 470.436 5.798 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1ccccc1F 35385957 YEBWDLIVUJHRKU-SXGWCWSVSA-N 477.160 7.538 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccccc1Cl 35403685 LSDQMDMJUOPQGH-OCSSWDANSA-N 488.971 6.243 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1OCc1ccc(Cl)cc1Cl 59117692 LREHYVJASHBWHC-XDHOZWIPSA-N 467.352 6.435 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1 59245277 DXHMPUZYTMFWLJ-YBEGLDIGSA-N 494.216 6.301 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59249810 PKQOVTWSDCAFJB-YVLHZVERSA-N 455.739 6.272 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccccc1Cl 95100366 VPTUGXOMMQPZPD-LDADJPATSA-N 475.957 6.083 50 40 JKGB CCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F 103528310 BMDOSQPFSJOIKH-GFCCVEGCSA-N 464.247 7.544 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 408599021 NWDCLOPLONWMAT-AFUMVMLFSA-N 498.333 5.099 50 40 JKGB COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)ccc1OCc1ccc(Br)cc1 408599390 UCZXIPMHJOJUEZ-XDHOZWIPSA-N 492.398 6.570 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1OCc1ccc(Cl)cc1 408746114 QZHBIOANBUZDLA-HAHDFKILSA-N 472.972 6.510 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 408751991 FFNSRMXYBQHSCJ-AFUMVMLFSA-N 498.333 5.099 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1C 408756474 SDYQFTVXLFNHAO-YVLHZVERSA-N 495.333 5.319 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Cl)cc1 408798688 WQIZKNPTVBMQAC-SRZZPIQSSA-N 465.380 7.043 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2cccc(F)c2)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408878663 CPYHDFJNYCDUOX-CXUHLZMHSA-N 465.824 5.152 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 409045671 GYKTZOXECAZCCK-RQZCQDPDSA-N 491.296 7.137 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1 409100477 NUQBKIIMSDZJTD-ROTLSHHCSA-N 465.789 6.327 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccccc1 409140134 DWTCNKIZVFRTMA-JOCHJYFZSA-N 495.373 5.242 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)c2C)sc(C)c1C 409206332 URNIZQQJWYFPSA-CIAFOILYSA-N 461.587 5.722 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 409207880 BWONPZVAKHNYQY-APSNUPSMSA-N 494.161 7.852 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 409214792 YFYIVWHIIKWJCB-RPPGKUMJSA-N 479.816 6.468 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1ccccc1 409233803 XLUCGMRMHIHRTI-OBLBUWMUSA-N 496.350 6.265 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)ccc1OC 409319616 JHEZBIAJVYCDCM-MBTHVWNTSA-N 482.964 5.407 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(C)cc2)cc1OC 409327909 XXBBGWVFXCULEO-DICXZTSXSA-N 497.389 5.508 50 40 JKGB COC(=O)c1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c3ccccc32)o1 409390619 GGISVOLMCUZNDI-UYRXBGFRSA-N 453.498 5.232 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)nnc1-c1ccc(C)cc1 1771812 URKRKFWNIWBGEP-OGLMXYFKSA-N 485.613 5.095 50 40 JKGB CCn1ncc(/C=N/NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)c1C 2109896 BGOXJYUQRHODHP-RPPGKUMJSA-N 452.345 5.497 50 40 JKGB COc1cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)ccc1OC(=O)c1ccccc1Cl 3139515 YIZJRCZJAZGMJE-CCVNUDIWSA-N 480.948 5.022 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(Cl)c1)c1ccccc1Br 8386670 MVPBAFIIXLZWBU-ZMOGYAJESA-N 456.727 5.119 50 40 JKGB CCCCOc1ccc(N/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 9327489 AUHVXVLVGVIMFY-LYBHJNIJSA-N 451.595 7.633 50 40 JKGB COc1cc(-c2cc(C(=O)N/N=C/c3c[nH]c4ccccc34)[nH]n2)ccc1OCc1ccc(C)cc1 9375307 MJKIBYVXDJVCGN-OKCVXOCRSA-N 479.540 5.218 50 40 JKGB Cc1ccc(/N=N/c2ccc(O)c(/C=N\NC(=O)[C@H]3C[C@@H]3c3ccc(C(C)(C)C)cc3)c2)cc1C 15930619 DGODHGMOKOFVQE-AGIINWADSA-N 468.601 6.976 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)c2C)c(C)c1 25901244 JISQRGGCDBUYJF-HNSNBQBZSA-N 490.651 6.033 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cccc(Cl)c1Cl 33753088 YGFIMAMZIROBQP-PKNBQFBNSA-N 452.124 7.106 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1 34782581 URKPSQLFFASYKQ-WQRHYEAKSA-N 486.877 6.492 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 35088113 VPAWVNNWBPQMEB-ZMOGYAJESA-N 476.470 5.061 50 40 JKGB Cc1cc(OC(=O)OC(C)(C)C)ccc1O[C@H](CCI)c1ccccc1 65743277 RHARZRBRSPUSSZ-LJQANCHMSA-N 468.331 6.254 50 40 JKGB in-vitro Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3C#N)c3ccccc23)cc1Cl 111904523 XMUDXLGRDQXXOH-CIAFOILYSA-N 450.929 6.069 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc(Br)cc1 408535241 YBVYEGHMIJJTCV-WQRHYEAKSA-N 459.170 7.399 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3cccc(C)c3)n2)c1O 408727833 XXIZHNLNSNHHIC-UXHLAJHPSA-N 476.536 5.479 50 40 JKGB COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1C 408747090 JFBWRMQXFFAABH-AQTBWJFISA-N 478.346 5.189 50 40 JKGB C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 408780568 FBZUQOHHDNAQJT-NHFJDJAPSA-N 484.021 5.001 50 40 JKGB Cc1cc(/C=N/NC(=O)Nc2ccc(Cl)cc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408842669 BTYDIIOHTIFMQP-KKMKTNMSSA-N 476.791 6.998 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(I)c1OC 408888831 BMFVWEMMTBXCGP-RIYZIHGNSA-N 496.732 5.206 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408900129 SVAIRPNTVLKMIC-WOJGMQOQSA-N 471.771 7.080 50 40 JKGB C[C@@H](Oc1ccc(/C=N/NC(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1)C(=O)O 408936754 FWVLAPPSWYOLGC-ZQSWQZSBSA-N 461.562 5.234 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Cl)c1OCc1cccc(F)c1 409123602 HORSTLPUFVTXSA-QHCPKHFHSA-N 466.896 5.381 50 40 JKGB Cc1ccc(COc2c(Cl)cc([C@H]3C(C#N)=C(N)Oc4cc(O)ccc43)cc2Cl)cc1 409135834 RFSGZVZXNNFRKQ-JOCHJYFZSA-N 453.325 5.805 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409232323 QBGLJTAZJRCLDG-HBAFHOPNSA-N 497.551 5.695 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2ccccc2)c(Br)c1 409232929 JDHCGKGLULWXBO-ZMFRSBBQSA-N 475.745 5.513 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2ccccc2F)ccc1OCc1ccccc1 409316658 LWLSYIMFVWEDCB-MZFJOGFUSA-N 498.554 6.146 50 40 JKGB CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(Cl)c3)=C2C#N)cc1 409335825 YTCIUQZLXPATAC-KRWDZBQOSA-N 458.008 5.081 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)cc(Cl)c1OCc1ccc(Cl)cc1 409392832 SHYHYWHMDITZMS-UVHMKAGCSA-N 489.355 5.449 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1c(C)cc(C)cc1C 1002717 OTTOAMFYDCEBFD-AREMUKBSSA-N 472.585 5.650 50 40 JKGB COc1ccccc1/C=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1 2321464 MYEXSQUQENRKCH-ZMOGYAJESA-N 480.640 5.235 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)cc1 2425400 QOZFAUFKEYBWAA-CAPFRKAQSA-N 480.524 5.048 50 40 JKGB CCCCCCn1c(SCC(=O)C(C#N)=C2Nc3ccccc3N2)nnc1-c1ccc(Cl)cc1 3291076 ACEMYAQGOBODBA-UHFFFAOYSA-N 493.036 6.113 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCc3ccccc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC 9113347 CMXIWMFMWJKQRI-DEOSSOPVSA-N 460.599 5.702 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1OCc1ccccc1 12584456 BTXCEEHSLFDHOC-CPNJWEJPSA-N 466.509 6.135 50 40 JKGB CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)/C=C/c3ccc(OC(F)F)cc3)cc2)cc1 13076206 KWNBSTFGQMNOIL-FZSIALSZSA-N 486.540 5.401 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(C(=O)O)cc1 13343514 CPBWYWFOWJJRLD-XDHOZWIPSA-N 477.314 5.272 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccc(I)cc1 16157797 NUTUFLWNQXHQJH-NBVRZTHBSA-N 494.288 5.056 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccccc1F 33438985 YMARWWVVWDCJGC-AQTBWJFISA-N 455.270 6.073 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(Cl)cc3Cl)o2)cc1 35125253 CTJCIJQAPSGQOO-MUXKCCDJSA-N 482.367 6.337 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 35494325 ORXIZGMJTNEMOQ-ZMFRSBBQSA-N 492.200 6.028 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@H]1[C@@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@H]12 36092599 UYDDPTCNFUMGFE-ITGKQZKFSA-N 485.562 6.572 50 40 JKGB N#CC(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)/C(O)=N/c1nc2ccccc2s1 41120778 OTHGFBRICCZSRP-FMIVXFBMSA-N 450.863 6.313 50 40 JKGB C/C(=N\NC(=O)COc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 58917015 JZMILQLFDLEHHK-QGTRCFDMSA-N 471.988 6.086 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2)cc1 59224570 JANDSOUYIWWBAL-KGENOOAVSA-N 461.359 6.136 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1Cl)c1ccccc1 59224650 ZUEGEYXNURXESC-WBRURWICSA-N 495.804 6.466 50 40 JKGB C/C(=N\NC(=O)c1ccc(CSCc2ccccc2)cc1)c1cccc(NC(=O)c2ccccc2)c1 59474286 CQALRPZSRQNNEL-WEMUVCOSSA-N 493.632 6.526 50 40 JKGB Cc1ccc(Oc2ccc(N3C(=O)[C@@H]4C[C@H](Br)[C@H](Br)C[C@H]4C3=O)cc2)cc1 102067694 YFBVFRGPUZJOKR-MKXGPGLRSA-N 493.195 5.214 50 40 JKGB CCN1CCN([P@+](Nc2ccccc2)(c2ccccc2)c2c(C)nn(-c3ccccc3)c2C)CC1 102830472 PUIDKRCYILUECD-PGUFJCEWSA-N 484.608 5.037 50 40 JKGB COc1cc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1 103591830 AWBXPKCUMJKETA-KPKJPENVSA-N 484.302 5.564 50 40 JKGB COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(O)CCCC3=N2)c1 104010201 RMSXXFSRZNOFKC-OAQYLSRUSA-N 451.573 5.398 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408542550 MCRPDRMYNKQRJK-LSCVHKIXSA-N 488.754 6.997 50 40 JKGB CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(Cl)cc1Cl 408578808 BCKGVICWWTUNHH-VZUCSPMQSA-N 475.995 6.981 50 40 JKGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408607062 BOKIRWQDAFDZLB-WKULSOCRSA-N 498.410 5.786 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 408744516 FSFADQODELKQPQ-YVLHZVERSA-N 487.770 6.780 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Cl 408747923 VTVRCAJDOCBNCV-QPEQYQDCSA-N 498.160 5.243 50 40 JKGB N#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)Nc1cccc2ccccc12 408756282 RCORMOGZADRQSX-RIYZIHGNSA-N 472.136 5.616 50 40 JKGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1Br 408758016 FRKGJUYZINANDB-OQLLNIDSSA-N 486.163 5.919 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccccc1Br 408766011 YLTKKMZAGUFOAX-SFQUDFHCSA-N 492.285 5.122 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1cccc(C)c1 408812824 PPRLNZSECVAHJM-ODLFYWEKSA-N 450.897 5.921 50 40 JKGB O=C(NNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2ccccc2)cc1 408849245 ZFQPQSLXKFLSQH-UHFFFAOYSA-N 484.364 5.535 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccccc1 408857730 WFKSFQWQJZBBSA-AFUMVMLFSA-N 498.333 5.099 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1Cc1ccccc1Cl 408883977 WHAFAAHGRHTAHQ-UDWIEESQSA-N 465.380 6.837 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)C(=O)NCCc1c[nH]c2ccccc12 408951071 KWFPAQSCZNOMTG-ITYLOYPMSA-N 471.560 6.166 50 40 JKGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1CC=C 408988176 HJQWEUZFCWACQN-WQRHYEAKSA-N 469.766 5.697 50 40 JKGB O=C(N/N=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)c1cc2cc(Cl)ccc2o1 409017758 HCHDDGNHDVUVBR-ACXHZZMFSA-N 477.951 7.006 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OCC)c1OCc1ccccc1Cl 409065079 HEEFKTYXRQAGRL-PXLXIMEGSA-N 469.972 6.987 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(F)cc1 409074286 SUUAWOXDNHSTNC-FYJGNVAPSA-N 487.487 5.596 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)c1OCc1ccc([N+](=O)[O-])cc1 409080240 MJUGBBAMUYTPHO-STZFKDTASA-N 457.486 5.345 50 40 JKGB O=C(N/N=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 409250130 LJQUIEKNBCXDRH-UETRGQPKSA-N 482.367 5.076 50 40 JKGB CCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OC)c1 409309305 FHOBQNQCCGIPJU-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC 409320579 BNVKEAGYWUPFQD-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB CCOc1cc([C@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(Cl)cc1Cl 409369421 NELKOIHNXFYUMB-OAQYLSRUSA-N 490.456 6.314 50 40 JKGB Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)s2)cc1 1453253 GZSWNTCPWMQOJL-CPNJWEJPSA-N 493.510 6.867 50 40 JKGB CCn1c(SCC(=O)N/N=C/C(Cl)=C/c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 1828020 DZVSCSOMXCELSB-KNGTWFMJSA-N 482.053 5.737 50 40 JKGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/C(Cl)=C/c1ccccc1 1835396 IZGZFZOZAGAVFU-QIJPBRGASA-N 495.482 5.958 50 40 JKGB N#CC1=C(N)N(c2cc(C(F)(F)F)ccc2Cl)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 2187798 AHXBYDUEZFTIRG-HXUWFJFHSA-N 478.301 6.317 50 40 JKGB C=C(C)c1cccc(C(C)(C)NC(=O)NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1 3231573 QFSBDGDVDOJCIA-UHFFFAOYSA-N 499.014 6.468 50 40 JKGB CC(=O)C1=C(C)NC(SCc2ccccc2Br)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-] 6015272 IAFHQFFNDZSUGP-OAQYLSRUSA-N 484.375 5.576 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(C#N)cc2F)cc1 8721777 VLZPCYPGRYKZBD-UVHMKAGCSA-N 466.310 5.111 50 40 JKGB CC(/C=N/NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)=C\c1ccco1 9019060 TVJHILWMAGXKJL-MPBWTNTLSA-N 465.025 5.374 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)NC[C@@H]1CCCO1 9311823 HAKJCAIVGIYHII-PSXSOWLISA-N 454.357 5.199 50 40 JKGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)COc1ccccc1C(C)(C)C 9948665 MTZMZCHDVVTMCG-FOKLQQMPSA-N 498.215 5.047 50 40 JKGB CC(C)(C)c1cc(/C=N/NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc(C(C)(C)C)c1O 12643385 RGVSHFJVUADYAI-VFLNYLIXSA-N 474.527 5.506 50 40 JKGB CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/Nc1cc(C)c(SC#N)cc1C 16268186 SCOFKCJLJQNVDR-LICLKQGHSA-N 488.354 5.200 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(SC2Nc3ccccc3N2)o1 16524942 XMAFQQBHSBHETE-RMORIDSASA-N 463.346 5.029 50 40 JKGB C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 20059462 NBAVERRURYNLQU-QUPMIFSKSA-N 483.593 5.236 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1C 32697543 UDUUKJTZSOOLLE-BWAHOGKJSA-N 488.591 6.575 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl 59117299 RWRZTNTXWGLULS-SFQUDFHCSA-N 457.744 6.771 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1 59224538 FHKAXJQNKZLXHD-LPYMAVHISA-N 475.386 6.499 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1OCc1ccccc1 59225043 WVLZCHVNLKFKDT-LDADJPATSA-N 463.877 5.381 50 40 JKGB COC(=O)c1cc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc(C(=O)OC)c1 100870254 FZSSHANPCZRAHJ-LFIBNONCSA-N 498.358 5.122 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1ccccc1F 408569758 PUNDYRKCXOEEMX-PXNMLYILSA-N 496.311 6.255 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 408586034 ATTBCDYVYZLOMX-LQKURTRISA-N 472.932 6.087 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(Br)cc1OC 408759912 NZOGCQWWOQRDRP-QPEQYQDCSA-N 480.156 5.165 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(F)cc1 408765152 KJPYJYZGJZABEF-WQRHYEAKSA-N 481.321 5.721 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2cc(C)ccc2C)cc1 408772840 RSBKAQUZZZROLT-OGLMXYFKSA-N 477.630 5.081 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)c2C)sc2c1CCCC2 408780295 WYAZLTQKGFUBDT-RGEXLXHISA-N 489.597 5.375 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc2ccccc12 408792936 CDRDZDHOJZLJHJ-HZHRSRAPSA-N 493.519 6.271 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)cc2)c(OC)cc1Cl 408831232 OYBPENZEPRPPJQ-UDWIEESQSA-N 462.933 5.790 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc(Cl)c(O)c(Cl)c4)cc3)cs2)cc1 408846081 QOWFTCHHVWOYSX-KKMKTNMSSA-N 497.407 6.638 50 40 JKGB Cc1ccc(COc2ccc(/C=N/NC(=O)CSC3c4ccccc4-c4ccccc43)cc2)cc1 408869329 RAFWHAYGWAZFSW-FDAWAROLSA-N 478.617 6.527 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Cl)c1OCc1ccc(F)cc1 408922953 HXJYRVVLWBKMAM-WKULSOCRSA-N 462.908 5.984 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 409049069 VTLCCHYWUYVDBE-SFQUDFHCSA-N 466.324 5.557 50 40 JKGB Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)cc1 409235949 QTCYJLYCUAYOPI-MOSHPQCFSA-N 459.471 6.563 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1OCC 409314670 GSUHUPPCIGVYRG-MWLSYYOVSA-N 499.394 6.300 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cccc(OCc3cccc4ccccc34)c2)ccc1OC 409317970 TVIHXTMBBCPSKD-MIXAMLLLSA-N 454.526 5.590 50 40 JKGB COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1OC 409326248 IXHZSXCHIHLWAZ-PPDIBHTLSA-N 477.319 5.493 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccc(Cl)cc1 409352923 FOMMCBMFCUAHKG-HMAPJEAMSA-N 474.785 7.899 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1ccccc1C#N 409394015 UJTNZDCUEJQZOI-UKWGHVSLSA-N 463.306 6.112 50 40 JKGB Cc1ccc(S(=O)(=O)c2cc(/C(=N\O[Si](C)(C)C(C)(C)C)C(F)(F)F)ccc2CO)cc1 1570007171 YNHBPKPLOYQHPM-LHLOQNFPSA-N 487.616 5.608 50 40 JKGB Cc1cc(C)c([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)c1COc1ccc(F)cc1 647871 IDOAFOKWRWFTTR-KCWPFWIISA-N 466.560 5.924 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(n3cccc3)OC3=C2/C(=N/OCc2ccc(C)cc2)CCC3)cc1 1383239 DULFTBLUJGZPJZ-KMXBZIASSA-N 465.553 6.322 50 40 JKGB N#C/C(=C/Nc1ccc(F)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 2278498 FIDGGLMRFUOYRJ-RAXLEYEMSA-N 468.307 5.795 50 40 JKGB C=CCn1c(CNc2cccc3ccccc23)nnc1SCC(=O)N/N=C/c1ccc(Cl)cc1 2742710 LXUNBYADIOZVCA-RWPZCVJISA-N 491.020 5.125 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9057404 XFPBGTCJXKYIRU-UKTHLTGXSA-N 472.682 5.816 50 40 JKGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 9311355 ZXRTWHLEQZXFJS-NDZAJKAJSA-N 451.570 5.097 50 40 JKGB COc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(OCc5ccccc5)c4)CC(=O)N3C2)cc1 9693512 DFJWUMCZALHDSO-VWLOTQADSA-N 483.593 5.494 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C)C5)o2)cc1 14358987 GJUIBNFBNNIMKF-COYFKBPASA-N 485.565 5.610 50 40 JKGB COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1 15277307 OQKFBPQYMAUASW-RQZCQDPDSA-N 467.308 5.767 50 40 JKGB CC(C)c1ccc([C@@H](Nc2ccccc2)[C@H](SC#N)C(=O)c2cccc3ccccc23)cc1 16575825 XFUSRJUHTYWYQV-PXJZQJOASA-N 450.607 7.582 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSCc2ccc(OC)cc2)ccc1OCc1ccccc1 16689202 RCMYBNQFGXAKDM-JVWAILMASA-N 464.587 5.056 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3cccc4ccccc34)c3ccccc23)c(C)c1 20195357 AEENSYWRZCLWCD-BIZUNTBRSA-N 459.593 6.461 50 40 JKGB C/C(=N/NC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)C2CCCCC2)cc1 22535905 AMYOPHXYLKWUDR-DICXZTSXSA-N 453.995 6.228 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1 28217279 UAUWUMYRPSIGBQ-WYMPLXKRSA-N 460.759 5.039 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 33773360 RQRSXIBINWIQTF-LQKURTRISA-N 489.369 5.954 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 34706899 JQTBVIDNMMINEP-GZTJUZNOSA-N 496.350 5.565 50 40 JKGB C/C(CCc1ccccc1)=N\NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 58925963 GVBAGROKTWSEPQ-ZXVVBBHZSA-N 484.021 5.045 50 40 JKGB O=C(OCCCCCl)[C@@H]1CC[C@@H]2[C@@H](C1)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 100929342 QNGXUOGPVMCDDM-UXSNVOCTSA-N 489.481 6.427 50 40 JKGB Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3c4ccccc4C[C@H]3C)N=C3CCCC(O)=C32)o1 102867596 OANGPARWQJRFMP-MYYSRTQBSA-N 459.571 5.568 50 40 JKGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 408612309 UXXWRABEAHCBKC-LQKURTRISA-N 463.965 5.133 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC)c(Br)c2)cc1 408746420 ZAFDZVGWVNKYPI-ZROIWOOFSA-N 494.183 5.555 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccccc1Cl)C(=O)Nc1cccc(Br)c1 408762295 JWRDGGDHXXRPTC-PDGQHHTCSA-N 467.750 6.227 50 40 JKGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 408764735 SNNXZFMNGCIIQW-ATVHPVEESA-N 479.319 5.961 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl 408798439 FFEKMRITNAOSRI-KGENOOAVSA-N 487.386 7.580 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(C)c(C)c2)cc1 408808992 GZPNPNGHRAKLQV-BUVRLJJBSA-N 484.552 5.613 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(Cl)c1 408809498 HFPRQLDMUNQLBN-RQZCQDPDSA-N 487.770 6.780 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(OC)c2)cc1 408810042 OVSHDPUPLMKZKE-KOEQRZSOSA-N 476.576 6.844 50 40 JKGB CC1=CC(/C=C(/C#N)C(=O)Nc2ccccc2F)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1 408817263 VOBAVJKLPIQQDZ-KUAKTGBJSA-N 464.540 6.853 50 40 JKGB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccc(N(C)C)cc4)cc3)sc2c1 408840278 AECMJVVTUAOHQS-RWPZCVJISA-N 491.016 5.945 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(C)c1OCc1ccc(Br)cc1 408856793 LMRBPUQDNNYHMX-DHRITJCHSA-N 482.334 5.317 50 40 JKGB Cc1ccc(Sc2oc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Br)cc1 408913079 KOEAZAMRBNXROS-BOPFTXTBSA-N 467.388 6.664 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3C)c2C)cc1Cl 408946969 ZTYLSQWZYBPBOO-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)c2C)cc1 408978626 JLAHOEFLIZRMOG-QVKATGLSSA-N 478.596 5.414 50 40 JKGB CC1=CC(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1 408981822 CTVPGVSMYNQRLJ-MHRPSJHKSA-N 495.022 7.676 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc2ccccc2c1 408985293 WJJHMRYOSRBZSC-QFEZKATASA-N 496.994 7.325 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OCC(=O)Nc1ccccc1 409050460 VZDZRWDPWBKEGI-GZTJUZNOSA-N 458.905 5.307 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1Cl 409052456 HQTBLJBEUDVUJV-RPPGKUMJSA-N 475.745 5.893 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1cccc(F)c1 409190942 CCXLWYDDPIEZKM-RPPGKUMJSA-N 491.744 5.593 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3cccc4ccccc34)c2)cc1OC 409309347 FUZPKXHMMNVLED-FSGOGVSDSA-N 466.537 5.756 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)CC(=O)N1 409325720 ACFIXRLYPZCPPG-MRXNPFEDSA-N 490.810 5.122 50 40 JKGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2c(C)cccc2C)NC2=C1C(=O)CCC2 2312674 QSVDKVYFNMXEQL-RUZDIDTESA-N 487.625 5.503 50 40 JKGB CCCCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)c2ccccc21 2393274 BWYQMWGRNHUDSK-SSEXGKCCSA-N 487.563 5.058 50 40 JKGB BrCCCOc1ccc2cc3ccc(OCCCBr)cc3nc2c1 4264733 JFKLPQNTWSSLSI-UHFFFAOYSA-N 453.174 5.716 50 40 JKGB biogenic CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OCC)cc1 4290904 IRSVZCQKUXFWTA-GJLBFZBFSA-N 488.540 5.247 50 40 JKGB CCOc1cc(/C=N/NC(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccc(C)cc1 8861422 RAWQYGUUPSQHNN-JFLMPSFJSA-N 496.405 6.199 50 40 JKGB CCN(CC)CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 9109317 JBESCJBMQSJZID-CAPFRKAQSA-N 491.573 5.193 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 9202210 YBSJVNLZTUURTI-XODNFHPESA-N 491.802 6.697 50 40 JKGB CCn1c(NNC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)nc2ccccc2c1=O 10218642 UMIOEFJFQOTZBC-UHFFFAOYSA-N 483.355 5.059 50 40 JKGB C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)c1ccc(Br)cc1 13562656 XLSCXRVITDKLQH-WPWMEQJKSA-N 480.362 5.163 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 14407880 LZMBYSDGXHTCAV-OGLMXYFKSA-N 497.511 5.270 50 40 JKGB CCCCCCN(CCCCCC)CC(=O)/C(C#N)=C1\NC(c2ccc(Cl)cc2)=CS1 15905853 YYCIMEPEGWENIX-YYDJUVGSSA-N 460.087 6.742 50 40 JKGB COc1ccc(/C=C2/SC(=S)N(/C=C(/C#N)C(=O)c3ccc4ccccc4c3)C2=O)cc1OC 17223583 DIJOXUCFKHURBM-KBTZAMDWSA-N 486.574 5.349 50 40 JKGB CCOc1ccc(-c2cc(C(=O)N/N=C/[C@H](C)c3ccc(OC)cc3)c3ccccc3n2)cc1 20176993 SSWOEIMWCLOJGO-VFKGCLKRSA-N 453.542 5.828 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)c2cccs2)=C(C#N)[C@@H]1c1cccs1 20348273 YNCBUWDWWJCLHS-OAQYLSRUSA-N 492.647 5.822 50 40 JKGB CCCOc1ccc([C@@H]2[C@@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 27329815 KRSXPVNJGBGZTK-PIBDYAPNSA-N 458.606 5.740 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1 28216882 XLYUPHIRQFUJHE-STBIYBPSSA-N 474.029 6.804 50 40 JKGB CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCC(=O)c4ccc(F)cc4)cc3)n2)cc1 44827443 BGFMOKSRXPAXDC-PXLXIMEGSA-N 484.552 6.674 50 40 JKGB N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 59145975 KICYYMMOUDGNPT-XDOYNYLZSA-N 492.760 5.565 50 40 JKGB N#C/C(=C\Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 100843757 JDMOTLXXXNUOJN-DHZHZOJOSA-N 474.722 7.766 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 108216191 SXENXXJDDLPEBD-YVLHZVERSA-N 483.293 6.148 50 40 JKGB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](Br)C(=O)C[C@]4(C)[C@H]3CC[C@@]21C 118930844 VIIVIWOTOXHLTG-SJJQXVGPSA-N 463.544 7.970 50 40 JKGB C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(C#N)O[Si](C)(C)C 195783667 XJMCXAZKIBJUJN-UGFNJNLGSA-N 473.806 6.462 50 40 JKGB biogenic C/C(=N\NC(=O)CSCc1ccccc1Br)c1ccc(NC(=O)c2ccccc2)cc1 408720138 TXYALWJEFSXLMV-WPWMEQJKSA-N 496.430 5.475 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)c1 408745672 UWZYIESJVGDQIY-ZDLGFXPLSA-N 499.767 6.675 50 40 JKGB CCc1ccc(-n2c(C)cc(C=NNC(=O)c3cc(-n4c(C)ccc4C)ccc3Cl)c2C)cc1 408765810 QNFZMCDBNCQPJB-UHFFFAOYSA-N 473.020 6.481 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OCc1ccc(Cl)cc1 408804262 WOTJOTOLSXRYIA-XDHOZWIPSA-N 497.378 6.525 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(OCc2ccc(Cl)cc2)c1 408809271 KWYZPTXADWLZOT-LDADJPATSA-N 497.776 6.236 50 40 JKGB Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1C 408809652 HPMIAIUHKVQKFL-KGENOOAVSA-N 461.359 6.191 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(Cl)cc1 408810607 MLHSCQMMEODMJG-GZTJUZNOSA-N 468.296 6.026 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1cccc([N+](=O)[O-])c1 408811296 AZMRPBRAQBWAPW-YUMHPJSZSA-N 455.470 5.412 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(Cl)c2)cc1 408812778 XGTYVHOXLOOOIB-RCCKNPSSSA-N 460.917 5.641 50 40 JKGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(C)cc2)cc1 408835332 WNOMQZISKFLLIL-NCELDCMTSA-N 472.544 6.285 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2F)cc1 408877661 XIYBXRBUCHRYGO-CPNJWEJPSA-N 465.322 5.733 50 40 JKGB COc1ccc(C(=O)Oc2c(Cl)cc(/C=N/NC(=O)c3cccc4ccccc34)cc2OC)cc1 408884033 SMRAWEYMWJYTBV-MUFRIFMGSA-N 488.927 5.494 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OCc1ccc(Cl)cc1 408885803 AZLWEMZOOLFPEE-LDADJPATSA-N 497.776 6.236 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 408926155 VOMKIJJUCZPZRS-LDADJPATSA-N 451.309 6.067 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc(C)c1 408981905 DOQSDCBXCPUMGT-JMIUGGIZSA-N 481.379 6.744 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(I)c1OC 408983008 JOZMCOWRXMMHAC-RIYZIHGNSA-N 496.732 5.206 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1C#N 408983462 MGFGKRONOLIHIF-UKWGHVSLSA-N 492.362 6.307 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 409063552 CDFTYJOMZWZPRU-GIJQJNRQSA-N 469.280 6.243 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OCC)c1OCc1ccccc1Cl 409072690 KMQOFPUBQQMKLY-PXLXIMEGSA-N 470.956 7.252 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OC)c1OS(=O)(=O)c1ccc(Cl)cc1 409073192 XYZPTQQBXGXZAV-RCCKNPSSSA-N 465.958 5.909 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1cccc(F)c1 409187907 CWGOCZGFQDVJDB-MFOYZWKCSA-N 473.342 5.142 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 409210557 LKCMVXUHLHLXSH-WQRHYEAKSA-N 480.274 5.909 50 40 JKGB C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 409246892 KSBRIRAPRHBXRR-RHANQZHGSA-N 491.519 5.133 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)c(C)c1 409254303 IESFSPTXRFVFCX-UNOMPAQXSA-N 494.378 6.173 50 40 JKGB CC1(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)SCCS1 409264081 KPFKKBGGKQRPTO-BRJLIKDPSA-N 478.470 6.033 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1Cc1ccccc1C#N 1106458 WJYVREGKCCGOLA-MOSHPQCFSA-N 485.374 6.722 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)ccc1OCc1ccccc1 3085235 WRDVABILTLUQCQ-JFLMPSFJSA-N 469.006 5.701 50 40 JKGB CCOc1ccc([C@H](Br)[C@@H](Br)C(=O)c2ccccc2[N+](=O)[O-])cc1OC 3119109 RPBSTZJXHAKOBN-DLBZAZTESA-N 487.144 5.085 50 40 JKGB CCSC1=C(C#N)[C@@H](c2ccccc2Cl)C[C@@](OC(=O)c2ccccc2)(c2ccccc2)N1 3670788 XBYQFJIHSGJTNX-AJTFRIOCSA-N 475.013 6.615 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccc(C#N)cc1 8812437 OMSQCDOKCHVWGO-CCVNUDIWSA-N 496.336 5.201 50 40 JKGB O=C(N/N=C/c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12)c1ccc(F)cc1 8812456 PAMQIZNLQKONOL-IPPBACCNSA-N 467.327 6.629 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2cccc3ccccc23)c1C 8812759 FXBSBQWEGIFRRQ-JFLMPSFJSA-N 476.374 5.782 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccc(C)cc1 12585685 JPOSBVSIEKYGDV-DJKKODMXSA-N 467.352 6.435 50 40 JKGB CNC(=O)c1c(NC(=O)/C(C#N)=C/c2c(-c3ccccc3)nc3c(C)cccn23)sc2c1CCCC2 27460276 PLLKNCSEHLIBJR-XDJHFCHBSA-N 495.608 5.155 50 40 JKGB COc1ccc(/C=N\NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1CSCc1ccco1 36044793 BTWZRGKWCWWHCQ-NOGLIJFQSA-N 476.642 6.273 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C)cc1 59282005 JPVCLMALTIGFNL-FYJGNVAPSA-N 480.486 6.537 50 40 JKGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 59473018 BYYPURLXRBANSS-MMDHUZEPSA-N 469.950 5.458 50 40 JKGB Ic1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 98007357 XFPGVCCFXLIPDC-UHFFFAOYSA-N 479.301 6.100 50 40 JKGB CCCCCc1ccc(C(=O)[C@@H](Br)[C@@H](Br)c2ccc([N+](=O)[O-])cc2)cc1 98043377 WIVLDTPLWCVHAS-OALUTQOASA-N 483.200 6.410 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccc(OC)cc1 106998946 BXGCKLGPZNZXSF-VYYCAZPPSA-N 487.339 5.384 50 40 JKGB CCOc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)ccc1OCc1ccc(Cl)cc1Cl 107737922 KCRJPLAKSDPOOS-JIDCHCNESA-N 475.416 6.248 50 40 JKGB CC(C)(C)[Si](C)(C)O[C@@H](CN=[N+]=[N-])c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12 201328392 YDBOQKVIHZCELO-NRFANRHFSA-N 450.615 6.480 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c(C#N)c1C 408546479 JZOPOEMIGUIALD-CIAFOILYSA-N 471.582 5.540 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1nc2ccc(F)cc2[nH]1 408570158 SEAFUNYYZVBYJU-SXGWCWSVSA-N 466.285 6.247 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 408581452 IELKJVJOAKZSBG-VXLYETTFSA-N 488.798 7.697 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1-c1ccc2ccccc2c1 408724517 LJKOBNKBBGPIQC-UXHLAJHPSA-N 464.956 6.418 50 40 JKGB CCOc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2)cc1 408762910 LSXLTONAGFIAQX-CYVLTUHYSA-N 475.932 5.302 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccccc1Cl 408773500 LIRIWZWBRVRVPV-ZHZULCJRSA-N 461.949 5.539 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(C)n(-c2ccccc2)c1-c1ccccc1 408774639 CJKQUOFAEBTBDU-IWIPYMOSSA-N 453.549 6.461 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(Cl)c2)cc1C 408790544 PZVDXNXDQMXOMW-AFUMVMLFSA-N 466.968 7.235 50 40 JKGB CC(=O)c1cccc(-c2ccc(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)o2)c1 408845769 HILNWIGGSDKNQD-RGXNXFOYSA-N 487.559 6.679 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1Cc1cccc(F)c1 408869956 UMPJCJVFPLFINM-RQZCQDPDSA-N 499.767 6.387 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)c1C 408882849 RERKOWJUSMHKFE-XQNSMLJCSA-N 450.513 6.720 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1OCc1ccc(Cl)cc1Cl 408885651 DJZFEMHJSXGXIY-UVHMKAGCSA-N 473.356 5.662 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 408895410 MSLNBUDVRXVKNM-CJLVFECKSA-N 490.581 5.270 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1OCc1ccc(F)cc1 408925702 SXGXTPLDVDFQHT-FYJGNVAPSA-N 486.930 6.766 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c(F)c1 408968729 YHAANVLWXSEWLT-IPBVOBEMSA-N 460.267 5.486 50 40 JKGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2C)c1 408983082 KFFPBTSXSAAXAZ-MTJSOVHGSA-N 461.949 5.697 50 40 JKGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)o1 408998768 QHQQVQKZPMJXRD-NJZRLIGZSA-N 474.564 6.234 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1cc(-c2ccccc2)nc2ccccc12 409038892 FUPBZQAYWKIZID-BIZUNTBRSA-N 491.978 6.898 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)c1C 409049146 VAUUVWFBGOLZSZ-VXLYETTFSA-N 485.798 7.388 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409069356 CRDSTSWUUZWLQI-LDADJPATSA-N 493.972 5.755 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c(C)c1 409086950 XMQOQRIAQXJZCL-WQRHYEAKSA-N 458.430 5.458 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl 409090178 LZDOIRFUMNPJMQ-NTEUORMPSA-N 499.266 6.148 50 40 JKGB CN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C2=C1CCCC2=O 409137853 ZDIUXTQXFRCOGR-QFIPXVFZSA-N 488.802 5.956 50 40 JKGB CC(C)C[C@H](NC(=O)c1ccccc1Cl)C(=O)N/N=C/c1cn(C(C)C)c2ccccc12 409158502 XNMMHYUPRFPLIJ-VATWTLTGSA-N 452.986 5.170 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc(F)cc1 409208032 DZROTBQNUIWNBF-ODLFYWEKSA-N 497.320 6.538 50 40 JKGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)c(C)c1 409228505 AVGIJEHJIWTPLM-WJDWOHSUSA-N 454.404 5.606 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)cc2Cl)cc1 409239584 ZKNUBTBHNWTNNG-UCQKPKSFSA-N 479.407 6.537 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(N)=C(C#N)[C@H]2c1cc(Br)cs1 705720 ZYMQDSCZWUKKIM-IBGZPJMESA-N 472.383 5.591 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1C 1410492 JHVHTQVANWMRAQ-VCHYOVAHSA-N 454.357 6.264 50 40 JKGB COc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3C)N(c3ccccc3C)C2=O)c1 2264387 IPMNLBLVAJQTIB-NNHPPCHPSA-N 483.593 5.377 50 40 JKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(C)c2C(=O)OCC)cc1OC 2669836 XTSLVRTYCJBEMF-LDADJPATSA-N 456.564 5.275 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc(I)cc2)o1 3116144 MHXRFCIQVHRGHK-MFKUBSTISA-N 480.305 5.397 50 40 JKGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cccc(Oc3nc(Cl)ncc3F)c2)c1 4065282 IBTBNWZLTFOUOW-XODNFHPESA-N 463.900 5.233 50 40 JKGB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C(=O)[C@H](Br)[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 4293064 ZELACZPTWWTTFT-WEVSKADCSA-N 467.488 6.177 50 40 JKGB COc1ccc(/C(C)=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1Br 8721539 HKCGVTCPBNYISA-YZSQISJMSA-N 483.431 6.045 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 8812131 VOFRXYIMFHRQIB-UVHMKAGCSA-N 461.320 5.874 50 40 JKGB CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1 9461909 YCEVJMFNZAVGFM-SILNSSARSA-N 464.619 7.325 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)c(C)n1-c1cccc(Br)c1 28216436 JGTNGKDZHAZXKJ-PTZPRWATSA-N 456.409 5.488 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cccc(Br)c2)sc2c1CCCC2 33771675 SJDKYAHQPATFKT-UVTDQMKNSA-N 459.365 5.112 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1F 33856538 JHJAMVYXMKFMDS-WQRHYEAKSA-N 493.922 5.359 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 59272224 UDMKPYOUPSVXCE-WOJGMQOQSA-N 471.771 7.080 50 40 JKGB CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(C)c3)N=C3CCCC(O)=C32)cc1 102537665 PQXYWKTZHNGSGB-RUZDIDTESA-N 473.598 6.035 50 40 JKGB N#C/C(C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)=C1\NC(c2cccs2)=CS1 104676837 YSJVFRRXNUXGRC-PLRJNAJWSA-N 499.642 6.801 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(O)cc1 107820427 QNHFDKSKZLOJES-LFIBNONCSA-N 482.323 5.262 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccc(C(=O)O)cc1 108974188 NXXGFNKHLAIXSV-ODLFYWEKSA-N 468.734 6.444 50 40 JKGB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)CCl)CC[C@]4(C)[C@H]3CC[C@@]21C 118917318 XUXXPLDKUZSGKH-AESDPALKSA-N 463.146 8.178 50 40 JKGB CCC[C@@H]1Nc2c(C(=O)O)ccc([N+](=O)[O-])c2[C@H]2[C@@H]1C[C@@H](Sc1ccccc1[N+](=O)[O-])[C@H]2Cl 245231443 COGRKLXBUHSTNJ-ADCYMEANSA-N 491.953 5.667 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1cccc2ccccc12 408543735 SOPMNZAXBOVYSL-QRVIBDJDSA-N 469.924 6.843 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1Oc1nc(Cl)ncc1F 408544268 UQHIKYCQIVKKSO-CXUHLZMHSA-N 463.900 6.017 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Br)c3)c2C)cc1C 408567501 NZHNMUOYZMWGJA-VULFUBBASA-N 452.396 5.475 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1Cc1ccccc1 408570373 UIXZSUJCXIFXNZ-CVKSISIWSA-N 465.644 5.161 50 40 JKGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 408743711 XPHQTOJESIILMB-NJZRLIGZSA-N 486.531 6.483 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408774053 OBAOWRUNABRUGJ-VYYCAZPPSA-N 467.056 8.280 50 40 JKGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c(C)n1-c1ccc(Br)cc1 408786543 KHFIEAZQLDPAHL-CGNBDSQZSA-N 485.389 5.064 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1cccc(C)c1 408789727 RTMPZHFEAYKVGQ-HZHRSRAPSA-N 470.525 5.305 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC(C)C 408801978 XLTNKBDKLIEXGF-VGOFMYFVSA-N 498.204 6.487 50 40 JKGB Cc1c(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408854507 GZBUPBZSIZHVRW-DICXZTSXSA-N 452.470 5.416 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Cl)c(Cl)c1 408865434 CKMXLMKORJONME-VXLYETTFSA-N 455.772 7.092 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1Cc1ccccc1Br 408869391 CSADLSCOGQIPJX-LPYMAVHISA-N 475.386 6.211 50 40 JKGB CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)ccc1OCc1ccccc1C#N 408909435 HLLVYBRTKACCQG-ZCTHSVRISA-N 485.584 5.326 50 40 JKGB CCCOc1ccc2ccccc2c1/C=N/NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 408979557 MUQJWNBPLUBBQB-UGFFDMHVSA-N 479.580 5.640 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 408983161 FSUZCFBDIXSZTJ-NVNXTCNLSA-N 461.743 5.530 50 40 JKGB Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1sc2c(c1C#N)CCCC2 408998348 UHUXDYUKSBYLFJ-MWLSYYOVSA-N 452.583 5.823 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OCC)c1OCc1cccc(Cl)c1 409071199 FWDHCPOXDJBGOQ-BUVRLJJBSA-N 486.999 6.900 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 409134895 ONWQXBHILSMWRS-JOCHJYFZSA-N 483.749 5.605 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccc(F)cc1 409139153 AKJLEFCEBLTSAX-QFIPXVFZSA-N 497.320 5.100 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc4ccccc34)c2C)cc1Br 409181029 YTBQONCJHCJLLW-JFLMPSFJSA-N 460.375 6.082 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccccc1C#N 409199920 FSSMNULONSIGCA-RWPZCVJISA-N 479.989 5.432 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3)o2)c(Br)c1 409227571 PZTANACAHWGMQK-JFLMPSFJSA-N 476.374 6.189 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 409270310 PCMNYQNDNQUEFR-KKMKTNMSSA-N 493.774 6.007 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccc(F)cc1 409302836 KXHPZSQEFKRIIQ-MUXKCCDJSA-N 486.927 5.238 50 40 JKGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3Cl)=C2C#N)cc1 639244 KPUUAMDWKZPHIG-OAHLLOKOSA-N 490.810 5.122 50 40 JKGB N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(Br)cc1 677923 BFBRLSDBEUYOMT-OAQYLSRUSA-N 469.342 5.520 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccccc1Cl 2078266 KQYFFTOKPJEUAO-OGLMXYFKSA-N 459.933 5.482 50 40 JKGB ClC(Cl)(Cl)C1=NC(C(Cl)(Cl)Cl)=NP(c2ccccc2)(c2ccccc2)=N1 8386834 SMOZTOGHBZDZDS-UHFFFAOYSA-N 487.969 6.305 50 40 JKGB N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 9057435 XKUCTKKFMUOSOS-LFIBNONCSA-N 464.275 5.695 50 40 JKGB N#C/C(=C/Nc1ccc(F)cc1F)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 11853091 HLARXYWANXDCFN-XFXZXTDPSA-N 486.297 5.934 50 40 JKGB N#C/C(=C\c1cn(CCOc2ccc(Cl)cc2)c2ccccc12)C(=O)NC1CCCCCC1 18190211 HOZXCNPLXHEEOQ-LVZFUZTISA-N 461.993 6.120 50 40 JKGB O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccccc1Br 20760388 QVYJRCTYOMSDCX-RWPZCVJISA-N 493.788 6.599 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1cccc(Cl)c1Cl 28216323 YHHQTEMJIMKDOK-NSKAYECMSA-N 485.198 6.237 50 40 JKGB O=C(CCCC(=O)N/N=C\c1ccc(Cl)cc1Cl)N/N=C\c1ccc(Cl)cc1Cl 31670056 DMLPHPLQJKSBAU-OASZVOALSA-N 474.175 5.071 50 40 JKGB CC(C)(C)c1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc(C(C)(C)C)c1O 58951622 BNSIVZJIFDBMRC-RPPGKUMJSA-N 451.394 5.823 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 59117506 PMBFCKIICVZJRV-YBFXNURJSA-N 467.352 6.435 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(C)cc1 59336480 KZZKTEARKCCZQF-JCMHNJIXSA-N 477.391 7.155 50 40 JKGB CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@H]3CC[C@]12C 70697315 QEAJZMPKEHYDQO-ZRUQPPMESA-N 463.146 8.467 50 40 JKGB biogenic Cc1cc(C)c2c(-n3cccc3)c(C(=O)N/N=C/c3cc(Cl)cc(Cl)c3O)sc2n1 78546540 PYYHYKXMJJZVKE-YSURURNPSA-N 459.358 5.480 50 40 JKGB C[C@]1(CBr)[C@@H]2CC[C@]1(CBr)c1nc3cc(Cl)c(Cl)cc3nc12 100182959 KTPUHCVQFOHYGP-YKPMOGBFSA-N 465.016 5.862 50 40 JKGB COc1cc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1OCc1c(F)cccc1Cl 103592858 XGYWMEUSGCTPCX-WUXMJOGZSA-N 457.841 5.594 50 40 JKGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12 108994351 OQQLCDBGFCFTJG-RHANQZHGSA-N 462.509 5.444 50 40 JKGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)cc21 208248657 APACRXPASKHNQP-SEYQANHMSA-N 468.812 5.898 50 40 JKGB N#CSc1ccc(N/C=C2\C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)c(Cl)c1Cl 408533785 PDAVNDPXHIOVEA-GXDHUFHOSA-N 483.336 5.299 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 408545097 ZASJQYLEEWHKFO-WQRHYEAKSA-N 490.346 6.240 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 408549678 WRRJOHVWYVFEQN-CEUNXORHSA-N 489.018 8.544 50 40 JKGB N#C/C(=C\c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1)c1nc2ccccc2o1 408552189 PCJGDSPIFDYBEK-MHWRWJLKSA-N 464.308 6.216 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc(Br)cc3)cc2Cl)c1 408580195 MZEYHYXVDVNZQG-XDHOZWIPSA-N 481.777 6.493 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(Cl)cc1Cl 408722469 JENAAZNQWAAUKG-OKCVXOCRSA-N 493.390 6.888 50 40 JKGB Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 408778189 QNJUJDNIFNEMDG-JVWAILMASA-N 484.021 5.117 50 40 JKGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408780567 DYRJOSXPGJYSMW-JWGURIENSA-N 490.003 6.319 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Br)cc1)c1ccccc1 408814359 PDDNNYTVRQGWSJ-GNFOSXPUSA-N 461.359 5.812 50 40 JKGB Cc1c(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc2n1Cc1ccc(Br)cc1 408815924 VZRUMDVWPYTRKO-MBTHVWNTSA-N 486.369 6.271 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccccc1 408818824 PCZPPASSTVAUPG-HQXXTQMQSA-N 466.968 6.857 50 40 JKGB CC(C)Oc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 408835010 WPDVYQIBXKNWDX-DEDYPNTBSA-N 481.379 6.905 50 40 JKGB N#C/C(=C\c1ccccc1Cc1ccccc1F)C(=O)Nc1ccc(OCc2ccccc2)cc1 408868708 OCMKUGXBFICDHO-LGUFXXKBSA-N 462.524 6.541 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1Cc1cc(C)cc(C)c1 408869237 PXUKPZMZZLQRAP-KEBDBYFISA-N 475.932 6.010 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1ccccc1Br 408884946 WCKMNYWLFHRVLT-CPNJWEJPSA-N 463.331 5.582 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3cccc4ccccc34)c2)c([N+](=O)[O-])c1 408887277 PECYQHBGRGSJGA-HYARGMPZSA-N 479.492 5.881 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1OC(=O)c1cccc2ccccc12 408888455 ZYVDLLZYWJMWFN-LQKURTRISA-N 497.601 5.911 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(OCc2ccccc2Br)c1 408892314 ALMISQDBZOTIPB-DEDYPNTBSA-N 477.358 5.891 50 40 JKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)C(=O)NCCc1c[nH]c2ccccc12 409022550 RYUIVSNGZLNESI-LGMDPLHJSA-N 464.015 6.300 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1cccc(C)c1 409050141 ZJHNOOMTYLNVBZ-HZHRSRAPSA-N 483.568 5.574 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)cc2Cl)cc1 409213557 PRVAANUZDVCXIO-KKMKTNMSSA-N 493.843 6.777 50 40 JKGB O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1cccc2ccccc12)c1cccc(C(F)(F)F)c1 409217770 BMIXWRXTZPFKJW-BVMLUPFRSA-N 496.872 6.495 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1cc(Cl)ccc1Cl 409220558 BLQYGJHCUKQQDX-SXGWCWSVSA-N 478.301 6.965 50 40 JKGB O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1O)c1cccc(C(F)(F)F)c1 409225627 RLMUKNOMHYWBCC-PPDIBHTLSA-N 462.811 5.048 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409261156 ARDJTKSPEWRWOR-FYJGNVAPSA-N 457.486 5.302 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc(Br)cc1 409346304 MHMLHZMBQJPCNC-UFFVCSGVSA-N 493.111 5.144 50 40 JKGB Cc1ccc(C)c(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c1 409366395 UUILGVQNHBZKGN-IPPBACCNSA-N 464.396 6.306 50 40 JKGB COC(=O)[C@H]1C(=O)NC(SCc2cccc3ccccc23)=C(C#N)[C@@H]1c1ccccc1Cl 859121 YNXNPKLFUGMYLD-FCHUYYIVSA-N 462.958 5.164 50 40 JKGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 1906040 KQUQLVXRQUMOHE-QGOAFFKASA-N 482.403 5.831 50 40 JKGB Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)c1COc1ccc(Cl)cc1 2726778 IUXYNIIEYSUDMS-VWLOTQADSA-N 477.004 6.295 50 40 JKGB CN(c1ccccc1)c1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 3146024 SKEPMYAFFUMTHK-NDZAJKAJSA-N 469.972 6.451 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3Br)o2)cc1 8453779 YQUPBEPOHDSONI-DTQAZKPQSA-N 465.303 5.431 50 40 JKGB CCC/C(=N\NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)c1ccc(Cl)s1 8454682 QUGZRDXVBSDCDN-UQRQXUALSA-N 490.072 7.848 50 40 JKGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1 8717773 VGWIQMDQZYYGSL-CIJMEZBMSA-N 491.794 5.092 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1cccc([N+](=O)[O-])c1 9019755 DCUYKKUWIZVDRK-MTJSOVHGSA-N 494.023 5.025 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 9057342 ZRGQDMXNYACCHR-UKTHLTGXSA-N 452.810 5.271 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c(C)n1-c1cccc2ccccc12 9203502 PSOXTDOYEQWPMY-JVWAILMASA-N 460.375 5.703 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccc(-c2ccccc2)cc1 13596050 SLCQNYIKDDYYPI-ITYLOYPMSA-N 490.679 6.130 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCCOc3ccccc3OC)c(OC)c2)cc1OC 27828970 WEQADFFHEASKKK-DEDYPNTBSA-N 495.959 5.896 50 40 JKGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1 28214176 QUWFKCRVULTEHS-JBRIXKJGSA-N 496.032 5.227 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCc1cccc2ccccc12 33733811 SKVRSOIFVWYJEP-QNKGDIEWSA-N 488.587 6.664 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c([N+](=O)[O-])c1 39884727 JBTYIMBCWVPJDF-UKTHLTGXSA-N 452.810 5.271 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccccc1 108287327 VBPZRVIGBYBZHX-LICLKQGHSA-N 457.744 6.728 50 40 JKGB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)[C@H](Br)[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118914769 ZELACZPTWWTTFT-VIDXXDNESA-N 467.488 6.177 50 40 JKGB Cc1cc2c(cc1/C=N/NC(=O)c1ccccc1Br)[C@H](C)CC(C)(C)N2C(C)C 223590383 LHOCUCBNOOBHPZ-OXVLKEGXSA-N 456.428 6.022 50 40 JKGB CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(C)C)CO[P@](C)(=O)F 299817375 ZLEFMXNNQCABDB-JILWIHTBSA-N 478.626 8.170 50 40 JKGB in-vitro N#C/C(=C\c1cc(Br)c(OCC(=O)O)c(Br)c1)c1ccc(Cl)cc1 408580401 PHNBOUQXJXKQSS-LFYBBSHMSA-N 471.532 5.393 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c(Cl)c1 408739862 GGWAZLNAFTWBQH-MZJWZYIUSA-N 496.792 6.534 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1cccc2ccccc12 408748207 ABUCFYRVIRIVBX-JVWAILMASA-N 459.343 5.945 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)C(=O)Nc1ccc(Br)cc1 408788132 BFSLOQRHQFIRCU-GHRIWEEISA-N 494.320 5.151 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1 408796050 CXIMKYLCRQOUCH-CJLVFECKSA-N 497.392 7.035 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)Nc1ccccc1F 408818119 OZUZCFWKOODHCS-ODLFYWEKSA-N 476.305 5.585 50 40 JKGB COc1ccc(C(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1 408887923 SCUGOTZWBWGFKG-QGOAFFKASA-N 477.314 5.223 50 40 JKGB N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408887930 UWRXPVFEIBEQIS-OQLLNIDSSA-N 454.269 6.240 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl 408890938 IQTKUVDPTHRDAL-SFQUDFHCSA-N 457.744 6.771 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408892762 CHJCLZFCVBIPRX-ZMOGYAJESA-N 478.555 5.026 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OCc1ccccc1 408893678 HMWMEPNZERIPNC-QGOAFFKASA-N 453.325 6.127 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OCc1ccccc1F 408898441 LHPGCUZFCFXFIT-GZTJUZNOSA-N 471.315 6.266 50 40 JKGB CCOc1ccc(Br)cc1/C=N\NC(=O)Nc1ccc(Br)c(C)c1 408905093 SXBGSGQRRWBNLY-JMIUGGIZSA-N 455.150 5.074 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C)c1ccccc1 408979697 OBXDFWUOYWYKHN-GLYRRZRCSA-N 460.578 5.039 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccc(Cl)cc1 408987055 VCWGPEJIKUPIJZ-STBIYBPSSA-N 486.959 5.629 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Oc1nc(Cl)ncc1F 409008488 XARRJZKDCYXQHQ-CXUHLZMHSA-N 452.873 5.233 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409073735 XFTAEGKYTVTQRK-YBFXNURJSA-N 473.916 5.956 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2cccc(F)c2)c(Br)c1)OCO3 409104043 IGWKBOMZDXIMHY-HSZRJFAPSA-N 495.304 5.114 50 40 JKGB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)COc2ccc(Cl)cc2Cl)cc1 409117067 WKVPTFUEKJRPAY-ROTLSHHCSA-N 490.368 5.890 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)cc2c1 409186602 FKWQUPICWWIQPH-MSXFZWOLSA-N 453.838 5.417 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCc3ccc(Cl)cc3Cl)cc2c1 409188156 BMDLZUWGBMJYRS-MUXKCCDJSA-N 483.351 6.481 50 40 JKGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1 409223475 FYCITKCQQBNSEH-JAIQZWGSSA-N 481.474 5.754 50 40 JKGB Cc1c(/C=N/NC(=O)CNc2cccc3ccccc23)c2ccccc2n1Cc1ccc(F)cc1 409390033 BQZNBLIRLJCXLB-VTNSRFBWSA-N 464.544 5.853 50 40 JKGB Cc1cc(Cl)ccc1OCc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)sc1C 650688 UUMMXCYSZVFJNO-JOCHJYFZSA-N 469.006 6.048 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)OCO3 664317 LHCWHCROHUMTLK-HSZRJFAPSA-N 467.308 5.519 50 40 JKGB O=C(NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)[C@@H]1CC1(c1ccccc1)c1ccccc1 725821 DNEIRTQWEHRIQZ-NSOVKSMOSA-N 472.588 5.146 50 40 JKGB O=C(/N=C(\C(Cl)Cl)N1CCOCC1)Nc1ccccc1Oc1ccc(Cl)cc1Cl 2148344 HDXAEXPHEPAIDH-XIEYBQDHSA-N 477.175 5.852 50 40 JKGB CCOc1ccc(C2=C(/C=N/NC(=O)c3ccncc3)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 2295365 KZFPXKYRTNSREV-FFWKWCQCSA-N 493.538 5.971 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccccc1 9289445 XOSRVYQCXUAHEK-WGOQTCKBSA-N 467.363 5.120 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)c(C)n1-c1ccccc1Br 20241156 DRGWGPSCVRNNHI-PTZPRWATSA-N 456.409 5.488 50 40 JKGB CC(C)(C)c1ccc(/C=C(\C#N)c2nc(-c3cccs3)c(NC(=O)c3ccco3)s2)cc1 26842029 FOFMCKVXCLENHH-SAPNQHFASA-N 459.596 7.079 50 40 JKGB Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 28213588 XHGXQWQFNAXARE-MZJWZYIUSA-N 482.005 5.049 50 40 JKGB O=C(N/N=C\c1cccc(Br)c1)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1 31830142 IDBHAKLWXREEEK-YSMPRRRNSA-N 475.346 5.182 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(C(C)C)cc3)o2)cc1 34856922 XVSGMIUESNTCFR-RHANQZHGSA-N 455.558 6.153 50 40 JKGB COc1ccccc1NC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 35103515 HHKJDDGGOGSSPO-QGOAFFKASA-N 495.457 5.277 50 40 JKGB N#CC1=C(N)Oc2cc(OC(=O)c3cccc4ccccc34)ccc2[C@@H]1c1c(F)cccc1Cl 38680483 QVPJWWVCKHWJCL-DEOSSOPVSA-N 470.887 6.070 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c1C 59202161 WEFHRTVTDPRSKU-DEDYPNTBSA-N 474.391 7.159 50 40 JKGB ClC[C@@H](CN(Cc1cccc(Br)c1)Cc1cccc(Br)c1)n1cccn1 69567485 WRVMETZUWBGUDY-FQEVSTJZSA-N 497.662 5.890 50 40 JKGB N#C/C(=C\Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 100843758 ZPJPNASPXXMFBU-CSKARUKUSA-N 474.722 7.766 50 40 JKGB COc1ccc([C@@H]2CC3=Nc4ccccc4N(C(=O)CCl)[C@H](c4cccc(F)c4)C3=C(O)C2)cc1 101494627 JHVMGDSLCHCUKQ-WHLCRQNOSA-N 490.962 6.623 50 40 JKGB O=C(N/N=C/[C@H]1C[C@H]2C[C@@H]1[C@H]1[C@@H]3C[C@@H]([C@H]21)[C@@]1(F)C(F)(F)C(F)(F)[C@]31F)c1ccc(Cl)cc1 104813192 MQLAXXGENLFXSE-GZXBQTRDSA-N 476.848 5.295 50 40 JKGB CCOC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 208782763 AYWLUMSNDYUNFQ-NVNXTCNLSA-N 450.716 5.160 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccc(C(=O)O)cc1 209488440 JRUHKSPKRDRCHX-WSDLNYQXSA-N 492.369 6.498 50 40 JKGB CCOc1cc(C(=O)Cl)cc(I)c1OCc1ccc(Cl)c(Cl)c1 226327477 UCNYXEGMIWKKAO-UHFFFAOYSA-N 485.532 5.955 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)c1ccc(C(=O)O)cc1 408542042 JMNPCANGFKCNGQ-NVMNQCDNSA-N 486.724 6.583 50 40 JKGB CCOc1c(I)cc(/C=C(\C#N)c2ccc3ccccc3c2)cc1OC 408549143 PTTPCNHRPARXIH-VXLYETTFSA-N 455.295 5.916 50 40 JKGB CCOc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)o2)cc1 408569349 NJLOGPYGYJIJJT-MFKUBSTISA-N 468.600 5.353 50 40 JKGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl 408607610 DTOUXLDSVYAAIB-XODNFHPESA-N 488.346 5.363 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc2ccccc2c1 408743191 FDYWYKXBUZVAJB-QQXSKIMKSA-N 462.549 6.672 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(Br)c1OCC 408752646 FUSQNYYBYLAJLS-NTEUORMPSA-N 494.183 5.555 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(OC(=O)c3cccc4ccccc34)ccc3ccccc23)c1 408762879 LNQQDGCIFQKYQL-LYBHJNIJSA-N 482.539 7.066 50 40 JKGB C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 408780844 LYRPWBPRNRFYHR-VFCFBJKWSA-N 498.048 5.508 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 408798829 XJVMEBGNEQMZEX-XYOKQWHBSA-N 483.234 5.071 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 408816826 ZGNLVIDASIXVMY-LICLKQGHSA-N 457.744 6.771 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1cccc(Cl)c1 408819633 YEXOWCHKNJPUQS-SRZZPIQSSA-N 495.406 7.134 50 40 JKGB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N\NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 408851240 WRRZXBBSUKDVBW-UAWDSHSBSA-N 475.552 5.207 50 40 JKGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 408855234 ANNJBGLIJAJHEM-BIZUNTBRSA-N 479.546 5.924 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(C)(C)C)cc2)cc(C)c1OCc1ccc(F)cc1 408856977 MHQRQTJZYITYDH-XQNSMLJCSA-N 456.561 6.865 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1F)C(=O)Nc1ccc(OCc2ccccc2)cc1 408877276 USNUXPUZDCYOEN-KOEQRZSOSA-N 496.969 7.195 50 40 JKGB N#C/C(=C\c1c(OCc2cccc(F)c2)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 408883531 RGXHUKSEQICSHY-HMMYKYKNSA-N 456.904 6.757 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c([N+](=O)[O-])c1 408890819 ZSGKYNHGZWUPAE-MHWRWJLKSA-N 451.523 5.450 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccccc1OC(=O)c1cccc2ccccc12 408890901 IFDDUMWTKBDNJZ-LQKURTRISA-N 481.533 5.443 50 40 JKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 408891018 KACNMNZBWTZRGB-SDNWHVSQSA-N 452.264 5.471 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1c(Cl)cccc1Cl 408895889 WHGIBGOAGFLYSI-XDJHFCHBSA-N 487.342 6.911 50 40 JKGB COc1cccc(/C=N/NC(=O)COc2c(C)cccc2C)c1OCc1cccc2ccccc12 408910264 GQEIXNRVZOHVSD-OCSSWDANSA-N 468.553 5.573 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1ccccc1C(=O)O 408922174 DRYADJVDSHJHSO-LDADJPATSA-N 477.314 5.272 50 40 JKGB COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408958636 ZQTXPWMCGIJIMO-FWKYKAJFSA-N 495.834 6.511 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OCC)c1OCc1ccc(F)cc1 408965859 JGNLGSLAPQPIEN-WCMJOSRZSA-N 475.495 5.307 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OC(C)C 409236300 DJRBXCUCOIXFEL-YLRSXTQRSA-N 457.368 5.419 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 409365054 PSWKXILAODDIIR-DHRITJCHSA-N 457.755 5.754 50 40 JKGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@H]2C2(CBr)OCCO2)C1 2049238371 MSDUUFXAHQPGOH-KRFDGIDSSA-N 481.471 5.635 50 40 JKGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)ccc1OCc1ccc(C(C)(C)C)cc1 1788493 ZFOWIWNPHLAORU-PCLIKHOPSA-N 475.610 6.219 50 40 JKGB O=C1/C(=C/c2ccc3c(c2)CCN3CCCCl)C(O)=NC(=S)N1c1cccc(C(F)(F)F)c1 2409431 QOMJMMXLLKTBER-LDADJPATSA-N 493.938 5.368 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2C#N)cc1 3218340 KEUCNRKGEVDSLA-LPYMAVHISA-N 486.369 6.008 50 40 JKGB O=C(c1ccccc1O)[C@@H](Br)[C@H](Br)c1ccc(Br)cc1 4277151 USHFJCAKMGBWRZ-KGLIPLIRSA-N 462.963 5.237 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 9202171 UNXCHCOTJIUBPJ-XODNFHPESA-N 491.802 6.697 50 40 JKGB COc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2)N3)cc1OC 9886245 CAZZKCDHLCNPCX-UJHAWRCFSA-N 467.569 5.684 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C/c3cc(Br)c(O)c(OC)c3)n2)cc1OC 12140024 FBZIDOFNNDQJJP-MKMNVTDBSA-N 473.348 5.368 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 12555894 APBZINOSHQVKJD-LICLKQGHSA-N 498.322 6.035 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1)c1ccc(Cl)c(Cl)c1 13647232 IOARWIWNBYQOOX-RHANQZHGSA-N 493.394 6.425 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(F)c(Cl)c1 14152012 JECXOOKMXRCGKI-LICLKQGHSA-N 478.980 6.244 50 40 JKGB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1 20347782 GJOGIOADACHFRR-SANMLTNESA-N 498.608 5.603 50 40 JKGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 32519905 YRQRTBRYNHBETJ-DHRITJCHSA-N 450.951 5.038 50 40 JKGB C=CCSC1=C(C#N)[C@H](c2ccccc2Cl)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 33928146 NGWHSQAGOZMKNL-ZWOKBUDYSA-N 484.952 5.493 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 59116747 CYOLVUIAQRAARI-WQRHYEAKSA-N 453.325 6.127 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1 59117226 KINSDVNXWPDHNB-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Br)cc2)cc1 59232904 FYEHRTYGOQJSTC-STZFKDTASA-N 477.358 5.260 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 59255608 SHFODQOXZWWSCJ-UDWIEESQSA-N 469.928 5.295 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(F)c(Cl)c1 59336337 CTKCUPRNQLPIES-DHDCSXOGSA-N 462.739 6.739 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1 59536513 ZLZQHURIJHDKCU-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB Cc1ccc(/C=C(/C#N)C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)cc1 67321627 FXTNDRZPXFXGSK-PHNXWQAISA-N 457.577 6.725 50 40 JKGB CC(C)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3nccs3)N=C3CCCC(O)=C32)cc1 102891052 BPRGCZCTBQENBW-NRFANRHFSA-N 464.616 5.908 50 40 JKGB COc1cc(/C=C/C(=O)Cl)cc(I)c1OCc1ccccc1Cl 226336138 OYIREDGMIROVDD-VOTSOKGWSA-N 463.098 5.311 50 40 JKGB O=C(N/N=C\c1c(O)ccc2ccccc12)c1ccc2c(c1)CN(c1cccc(C(F)(F)F)c1)C2 408726993 DASJHKVIQIPLHC-AQLQTECXSA-N 475.470 5.848 50 40 JKGB Cc1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)c1 408750633 PQXHTBVQCLYIBO-FSGOGVSDSA-N 451.570 5.097 50 40 JKGB COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1OCc1ccccc1 408760865 AIMWIHXNNJOHNR-UYRXBGFRSA-N 463.331 5.582 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c2C)sc2c1CCCC2 408770868 BPARKPODXFRUIL-STZFKDTASA-N 487.625 5.984 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408791875 DPEOWISTDYUHRO-FRKPEAEDSA-N 475.734 6.911 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(OCc2ccc(Cl)cc2Cl)c1 408813445 NZRIZVCIVFWPAQ-YBFXNURJSA-N 467.352 6.435 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)cc1O 408839146 NUGKYBLLEHUACE-LGJNPRDNSA-N 479.945 5.285 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccccc1 408859334 VWLKYFIDCRWBQV-UDWIEESQSA-N 452.323 6.630 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1 408886796 MDORMWGQXNOKDJ-LUOAPIJWSA-N 498.193 6.652 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 408888536 WUABNSQRPSUMIJ-GZTJUZNOSA-N 482.323 6.335 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)c1 408891638 UFUCWHPYGOTBGY-UDWIEESQSA-N 479.349 6.330 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1ccc(Cl)cc1 408891997 WXZXICSQVOMUPS-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1 408897818 ZRRFPSVRQHOEHN-XSFVSMFZSA-N 473.359 7.271 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408948220 QXCCKKBDFCRXJS-KIBLKLHPSA-N 464.736 5.516 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCc1ccc(Cl)cc1Cl 408973510 SWVJMANQLOOIMW-XODNFHPESA-N 499.350 6.100 50 40 JKGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)cc2OC)c1 408983748 CGEKZCAJIAFYGB-XDHOZWIPSA-N 492.959 5.799 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1O[C@H](C)CC 409022487 QETHJLAMAFKJNG-UWLYNBDASA-N 493.785 6.189 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409068463 SRSHGESAJDSUGT-PXLXIMEGSA-N 499.523 5.465 50 40 JKGB COc1cccc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c1OCc1ccc(C(=O)O)cc1 409187872 VINLOTJOVUGPEA-NDENLUEZSA-N 453.416 6.055 50 40 JKGB Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)c2C)ccc1Br 409234833 MXWLZVKWNOWTCQ-KQWNVCNZSA-N 476.418 5.821 50 40 JKGB COc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC 409363503 MARRVFSEQXEPBO-VYYCAZPPSA-N 473.356 5.282 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OC(=O)c1cccs1 830506 LZHKTRFVVLITKG-LQKURTRISA-N 473.554 5.081 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc(Br)ccc1OCc1ccccc1 860576 OWEYFZQGLUPLIM-JOCHJYFZSA-N 479.374 5.479 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(F)cc3)N(c3ccccc3)C2=O)cc1 2329333 WSGBLUHFRIPAQA-YMGIJWJESA-N 457.530 5.199 50 40 JKGB N#CC1=C2N=C(N)c3c(sc4c3CCCC4)N2C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl 3669207 VCWPCKGOZQJHCZ-FQEVSTJZSA-N 495.435 5.999 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C1=NNC(c2ccccc2)(c2ccccc2)C1 8856210 RHTSWLBWAWNZBW-NJZRLIGZSA-N 474.564 5.009 50 40 JKGB N#C/C(=C\c1cc(Br)c(I)o1)c1ccc(Br)cc1 9323431 MHZHDHATCLHBEZ-WEVVVXLNSA-N 478.909 5.473 50 40 JKGB N#C/C(=C\Nc1cccc(C(F)(F)F)c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 9353411 HMCYFQGAAOJGLJ-JLHYYAGUSA-N 484.415 5.820 50 40 JKGB Cc1ccc(/N=C2\N[C@](c3ccccc3)(C(F)(F)F)C(C#N)=C3N(C)c4ccccc4N32)cc1 12645102 PVFBWNDNDSKJJA-VWLOTQADSA-N 459.475 5.735 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)c1nc(O)c2ccccc2n1 12800650 NLPRUVKSIDVKMJ-LDADJPATSA-N 458.315 5.741 50 40 JKGB CS(=O)(=O)N(Cc1ccc(C(=O)NN=C2CCCCC2)cc1)c1cccc(Cl)c1Cl 19926493 ZOVCYPPWGWPMEG-UHFFFAOYSA-N 468.406 5.010 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1OC 33596384 QAAUZSKIVAYSIY-XSFVSMFZSA-N 473.485 5.084 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 33740625 LTWCCCQQSRMKAE-SOFYXZRVSA-N 494.161 7.852 50 40 JKGB CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2)cc1 38650344 JNGPZIFDSPSLDE-SANMLTNESA-N 470.525 5.311 50 40 JKGB CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 38682267 FFSWGXBYYFFEPO-QFIPXVFZSA-N 483.376 6.153 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cccc(OC)c2OCc2ccc(Cl)cc2Cl)cc1 59435271 MHPMIKRVQKXYTK-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 59437067 OKJRJJXIUAVIDY-AFUMVMLFSA-N 453.336 5.109 50 40 JKGB ClC(Cl)=C(/N=C(\Cl)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 97964170 KFVVPWWZJJLJRS-ZXPTYKNPSA-N 495.797 7.270 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3ccccc3)Nc3ccc4ccccc4c3[C@@H]2[C@@H]1Cl 101076836 MNJHTWREHWCETR-DRMGSWLOSA-N 487.024 7.787 50 40 JKGB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NNC(=O)C(c1ccccc1)c1ccccc1 103918329 UUYOGJDOPTXCBD-PLRJNAJWSA-N 470.548 5.055 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 105452036 SSIWAIPSKRFOEU-PDGQHHTCSA-N 490.387 7.187 50 40 JKGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 107858096 YIQITUHMGMBFDV-ZMFRSBBQSA-N 488.378 5.007 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2)cc1C 108986258 MMTDTWLLULFHOH-BKUYFWCQSA-N 473.960 5.828 50 40 JKGB Cc1sc([C@H](N)[C@H]2CCCCN2C(=O)OC(C)(C)C)nc1CO[Si](C)(C)C(C)(C)C 217390123 JFBUFFPBGWMVQM-QZTJIDSGSA-N 455.741 5.763 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 408534432 VOIHEXKTWGRDLN-IURWMYGYSA-N 484.909 5.924 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)c3ccccc32)c1 408545383 YKRDAMZDYWSWMH-XODNFHPESA-N 480.351 5.547 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)c1ccc2ccccc2c1 408548027 CAOTUXXUWGECPA-FMCGGJTJSA-N 474.785 7.899 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)ccc1OCc1cccc2ccccc12 408566889 IXOGHGXQBNYSBE-QNKGDIEWSA-N 494.635 6.808 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1OC 408581178 HFFVIVNYBUZJPF-XDHOZWIPSA-N 493.357 5.548 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 408743875 CCVTZEUOEITTOI-QJOMJCCJSA-N 457.533 6.397 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)NCc1ccccc1 408748155 ZFWVNQRLSUZPOF-JMIUGGIZSA-N 481.335 5.494 50 40 JKGB CC(=O)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br 408760244 VIDNINMIJXJKBQ-SDQBBNPISA-N 454.107 5.227 50 40 JKGB C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 408783153 LNTCCLURRIXPLK-NHFJDJAPSA-N 484.021 5.001 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1F 408790736 YBJJXZXWLJRVIA-WOJGMQOQSA-N 485.342 6.656 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2Br)cc1 408794533 IWBGGIWHUFONMN-FYJGNVAPSA-N 461.359 6.191 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1Br 408797588 SFBOVDIIOWBMHV-MHWRWJLKSA-N 488.179 5.332 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1c(C)ccc2ccccc12 408806480 JIGRVTBOUIIZHU-KOEQRZSOSA-N 476.576 6.980 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1 408806687 BELKJDPJVUASSV-CIAFOILYSA-N 495.406 7.134 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(OCc2ccc(Cl)cc2Cl)c1 408809915 ONZFTRUHVFTJDR-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1cccc2ccccc12 408810374 KIHGLDKEMGCTGJ-USHMODERSA-N 488.587 6.379 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 408811698 AIFSMDBLIYYCOK-YBFXNURJSA-N 454.357 5.633 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(Cl)c1O 408854842 ADADNZSHXGYYCC-NTFVMDSBSA-N 459.933 5.584 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Br)C(=O)Nc1ccccc1Cl 408872616 HMCRVOYMPWXYSK-LDADJPATSA-N 486.196 6.892 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)c(C)n1-c1cc(Cl)cc(Cl)c1 408922706 GCLVNODXUVZKQY-LZYBPNLTSA-N 454.313 5.645 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccc(C)cc1 408961243 LPNNGFWPCCRJAX-VULFUBBASA-N 459.458 5.001 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)ccc1OCc1ccc(Cl)cc1 408971595 JUPODTJFNYVIEE-ROTLSHHCSA-N 489.753 5.160 50 40 JKGB N#C/C(=C\c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1 408989073 GUNDRUQBSTUYPZ-RVDMUPIBSA-N 492.969 6.555 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1nc2ccccc2[nH]1 409041516 JWFHOWWNIZCMDI-UDWIEESQSA-N 470.359 7.666 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 409090101 KXJGCLNFVQJEBB-MHWRWJLKSA-N 466.247 6.122 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1Cl 409136536 VABGHWUCTCCPPS-QHCPKHFHSA-N 485.367 5.786 50 40 JKGB N#CC1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@H]1c1ccc(Br)cc1 705635 UNTZIHXEQUQHOG-FQEVSTJZSA-N 488.307 5.773 50 40 JKGB O=C(NNc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCCC1)Cc1ccccc1-2)c1ccccc1 1804306 KBFAZNZSSUQVIO-UHFFFAOYSA-N 490.607 5.474 50 40 JKGB O=C(N[C@H](C(Cl)(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 3200377 GJGIGOZTGPWCJM-FQEVSTJZSA-N 487.150 5.780 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)C1CCN(Cc2ccc(Br)cc2)CC1 8780728 MCGWVRFXSBDWHF-WYMPLXKRSA-N 469.210 5.118 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OCc1ccc(Cl)cc1 59224666 RZPQVPARUFIICG-LICLKQGHSA-N 498.322 6.035 50 40 JKGB CCCCCCCCCCCCCCCCCC1=NN(c2ccccc2)C(=O)[C@H]1Br 59663142 ZHICHWNJSUOOOG-VWLOTQADSA-N 477.531 8.414 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Br)cc1 83317694 ZNZWSGHXXWFGFY-WGARJPEWSA-N 479.330 5.547 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(CCCC)cc2)cc1OCC 408539019 DNQIXRWBZWJJHZ-OFWBYEQRSA-N 487.084 7.585 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OC 408539217 FXKZASKPWWPEDB-LDADJPATSA-N 493.239 7.243 50 40 JKGB Cc1ccc(-n2cccc2/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)c1 408566563 AMPVPYGLLKXJKK-MFKUBSTISA-N 451.617 5.102 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 408587743 UFVNJMCLAKTHNS-NVMNQCDNSA-N 493.217 8.342 50 40 JKGB O=C(NNc1ccc(OCc2ccccc2Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccccc2)C1 408601443 AYVROMRVPYKEFI-KRWDZBQOSA-N 470.356 5.069 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc2ccccc2c1 408793575 FTYULIHHQCDBTB-BUVRLJJBSA-N 452.941 6.926 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(OCc2ccc(Cl)cc2Cl)c1 408803182 MCMKNGILCGYQDA-RQZCQDPDSA-N 487.770 6.780 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(OCc2ccc(Cl)cc2Cl)c1 408811557 KKOQPRNFEIYXME-LICLKQGHSA-N 487.770 6.780 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC(C)C)c(OC)c2)c(OC)cc1Cl 408834553 WMGCQDZBLQGNDU-MKMNVTDBSA-N 465.333 5.352 50 40 JKGB COc1cc(C)c(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1C(C)C 408839003 LMCJMJZCCGASRA-OKCVXOCRSA-N 498.652 7.066 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(OCc2cccc3ccccc23)c1 408879465 GIFJSKQQGYAZRS-PXLXIMEGSA-N 452.485 6.112 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2F)c2ccccc12)C(O)(c1ccccc1)c1ccccc1 408908391 CEQQVZPUUXGKAU-BIZUNTBRSA-N 477.539 5.215 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12)c1nc2ccccc2o1 409060276 ZDWUBXIPXZWYJO-UDWIEESQSA-N 471.343 7.931 50 40 JKGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3cccc(Br)c3)o2)ccc1Cl 409213681 UXQNCIOMCJDEHS-WYMPLXKRSA-N 475.726 5.303 50 40 JKGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1OC 409326138 HEYLSKCZLLKUEQ-ZMFRSBBQSA-N 459.329 5.354 50 40 JKGB COc1ccc(CC(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)cc1OC 409359679 BPZYSIWIRYPIFY-VYYCAZPPSA-N 473.356 5.282 50 40 JKGB CN([C@H](c1ccccc1P(c1ccccc1)c1ccccc1)C(C)(C)C)[S@](=O)C(C)(C)C 1857795093 LSFXASOJFLAEOF-HVIPQOSHSA-N 465.643 5.926 50 40 JKGB CC(C)(C)CC(C)(C)c1ccc(O)c(SSc2cc(C(C)(C)CC(C)(C)C)ccc2O)c1 1709592 GZYLZSMQZMWNFK-UHFFFAOYSA-N 474.776 9.325 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc([C@@H](C)CC)cc3)nc3ccccc23)cc1OC 2109523 MESOEDSAZCWLQC-BRVWEASZSA-N 495.623 6.977 50 40 JKGB N#C/C(C(=O)N1CCCCCC1)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2365764 XUAYCJACQMRCOM-KVHSSYOWSA-N 466.006 5.169 50 40 JKGB Cc1cccc(C[C@H]2S/C(=C(\C#N)C(=O)Nc3ccc(F)cc3)N(c3ccc(Cl)cc3)C2=O)c1 2410080 BPSCNQMYGTTWJJ-QPQMVVSWSA-N 491.975 5.853 50 40 JKGB Cc1cc(Cl)ccc1Oc1ncccc1C(=O)NN(C)c1ncc(C(F)(F)F)cc1Cl 2562137 NWEOUAXNLNIGBM-UHFFFAOYSA-N 471.266 5.684 50 40 JKGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 3230105 BZPYDLRMVDXURJ-ALQBTCKLSA-N 495.504 7.352 50 40 JKGB O=C(CCl)Nc1cc(-c2ccc(F)cc2)nn1-c1nc(-c2ccc(Br)cc2)cs1 8754973 AZKCJPCREJVIOA-UHFFFAOYSA-N 491.773 5.742 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12 8812948 SGUXHTIMTLHGHM-UVHMKAGCSA-N 496.792 5.878 50 40 JKGB N#C/C(C(=O)Nc1ccccc1)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 9909859 VIAFLZVBDBVPPI-IVYNLYIOSA-N 477.948 5.544 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCC(=O)c1cc(C)c(C)cc1C 12565539 QCCDFZPQALSHQF-FYJGNVAPSA-N 468.578 6.556 50 40 JKGB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)c1nc2sc3c(c2c(=O)[nH]1)CC[C@H](C)C3 12658521 SXQDLEQHMPLDCF-LQELWAHVSA-N 479.968 5.460 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccc(Cl)cc1 20348558 LJMYNINDZKKDDT-HSZRJFAPSA-N 479.989 5.137 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1 96476300 BVUVDPFDWAPJIO-BUVRLJJBSA-N 496.994 7.189 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1 98010047 ZKDZMRGXDOXCAO-NDENLUEZSA-N 495.804 6.844 50 40 JKGB CN(C)P(=Nc1ccc([N+](=O)[O-])cc1)(c1cccc2ccccc12)c1cccc2ccccc12 103438211 ADQDUGPOIHIZOR-UHFFFAOYSA-N 465.493 6.862 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(O)CC(C)(C)CC3=N2)c1C 104143927 BDZXWQSSRWLTST-QHCPKHFHSA-N 477.655 6.642 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 107570580 CYPZYWMLZBCMEZ-BRJLIKDPSA-N 455.967 5.150 50 40 JKGB C/C(=N/NC(=O)Cc1c[nH]c2ccccc12)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118932877 WBLZXQSVAXDGFP-CKSRQGPPSA-N 487.688 6.142 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cccn1-c1ccc(Cl)cc1 408569710 PPXUFRBKQAUVIG-ZVHZXABRSA-N 458.008 5.138 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1)c1ccc(Br)cc1 408579919 LKYZNXDLKAUYAG-YBFXNURJSA-N 468.734 6.444 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3)c(Br)c2)cc1 408743449 AHFBOWYTXKVKSV-WQRHYEAKSA-N 497.776 6.236 50 40 JKGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 408785059 XPUDXXARSFPMDI-CHHVJCJISA-N 468.178 5.766 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)c1 408787883 HHIQBHGEWLGLCF-SRZZPIQSSA-N 465.380 7.043 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1C 408789428 QFBZLBLVIZJFMO-UDWIEESQSA-N 479.349 6.330 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)C(=O)Nc1ccc(O)cc1 408790579 QFHKDDFURUTRND-LICLKQGHSA-N 494.301 5.188 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(OCc2ccc([N+](=O)[O-])cc2)c1 408794631 ACFXOKGIUZBUHF-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1 408797860 SVGZBAQJSXRTOZ-LDADJPATSA-N 478.302 5.482 50 40 JKGB CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 408856770 LCNPEHAAOIRJHE-YVNNLAQVSA-N 451.704 5.020 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 408881191 KBVJHQZSHIQMQK-MDWZMJQESA-N 452.810 5.271 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408887845 RPPDRQHZEJJFOJ-LSHDLFTRSA-N 478.686 5.043 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1C 408924682 QBMSKTDKWQPZPU-JFLMPSFJSA-N 452.938 5.399 50 40 JKGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2OC)c1 408987404 XLENIIIAVVTYKN-FYJGNVAPSA-N 472.541 5.454 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 409006522 OLKVLGDTXJTGCG-OPEKNORGSA-N 473.187 5.303 50 40 JKGB O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1cc2cc(Cl)ccc2o1 409016386 ICUILKSOYRFKLM-PPDIBHTLSA-N 473.743 6.736 50 40 JKGB N#CCOc1ccc(Br)cc1/C=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12 409034314 NMPKKCDFTABFDL-NTFVMDSBSA-N 485.341 5.331 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OC)c1OCc1ccc(C(=O)O)cc1 409070461 XXOVVGABBHPCEC-HZHRSRAPSA-N 498.535 5.255 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccc(F)cc2)c(Br)c1 409128651 SXAJTFYKYATPFP-QFIPXVFZSA-N 467.294 5.091 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)c1ccc(Cl)cc1 409191358 WKHDGCYSNMLSPW-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB CC[C@@H](C)Oc1c(Br)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC 409248464 GRBCJBOUDUWLKU-VJOZSWGJSA-N 471.395 5.291 50 40 JKGB COc1ccc([C@@H]2CC(=O)NC(SCc3ccc(Cl)c(Cl)c3)=C2C#N)cc1Cl 409311445 ZTLQXIBBZYJEII-ZDUSSCGKSA-N 453.778 5.927 50 40 JKGB Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)cc2)c1 409364993 POMLWXGINPFQQX-YSMPRRRNSA-N 451.364 5.338 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(Cl)c3)n2-c2ccc(C)cc2)cc1 2357849 XPWYFIWWLNSDEQ-JFLMPSFJSA-N 476.005 5.447 50 40 JKGB COc1ccc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(F)c(Cl)c1 2775688 KNUOFHQYPKIAQG-CJFMBICVSA-N 488.950 5.660 50 40 JKGB Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C(F)(F)F)cc2)cc1 3232249 KBICUZVQWRGCBP-XMHGGMMESA-N 450.416 5.779 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1 4196433 PARSYRVTVHGHEF-YBFXNURJSA-N 454.751 6.754 50 40 JKGB Cc1cc(N(C[C@@H](C)Br)C[C@@H](C)Br)ccc1/N=N\c1ccccc1C(=O)O 4773910 IUBPTOPNFAZJQA-KBYYGTHCSA-N 497.231 6.482 50 40 JKGB Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)cc1 9215707 JNCVMAWGFABSEY-NBVRZTHBSA-N 450.523 5.778 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1ccc(C(F)(F)F)cc1 9291467 WQVMUUCCRJHMNS-JOCHJYFZSA-N 488.469 5.893 50 40 JKGB Cc1c(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c2ccccc2n1Cc1ccccc1 12345893 MQHWLUJLMYGBLQ-RWPZCVJISA-N 450.369 5.998 50 40 JKGB Cc1cc(C)c([C@@H]2[C@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)c(C)c1CCl 12445151 DRMNCDXWRFSVIO-MUPNOLHXSA-N 492.022 6.761 50 40 JKGB CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 17306463 PEKLGWURNKNCNF-FOWTUZBSSA-N 454.349 5.726 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 20198105 OHIUEYAJIFUOIF-OKCVXOCRSA-N 494.422 6.858 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccco1 20348577 UDLWSDAOVXJVTN-HSZRJFAPSA-N 477.586 5.002 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(C(=O)O)cc1 33733176 DIBJRNKXEFNFNC-HYARGMPZSA-N 456.498 5.217 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)c(C)n1-c1cccc(Br)c1 33957763 IHLUGQYRLPFXIO-VULFUBBASA-N 462.347 5.479 50 40 JKGB N#C/C(=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)C(=O)Nc1cccc(C(F)(F)F)c1 34846741 CRSSXBGDMIKGBK-OHEWCHTRSA-N 479.502 5.558 50 40 JKGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)c1 59105049 SCTBICBAVNXAIY-STBIYBPSSA-N 467.525 5.135 50 40 JKGB Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 59117476 KCFKIINRXHXCSK-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1cccc2ccccc12 59432702 SILUZJHAIBNGJJ-PCLIKHOPSA-N 462.549 6.590 50 40 JKGB O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1ccc(CSCc2ccccc2)cc1 59473707 FXZDAXDLOTZHTB-BRJLIKDPSA-N 483.387 5.375 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3cccs3)c2C)sc2c1CCCC2 59534566 DNBXDODRBNDKTH-LDADJPATSA-N 479.627 5.106 50 40 JKGB Cc1cc2c(cc1/C=C(/C#N)C(=O)NCCc1c[nH]c3ccccc13)[C@@H](C)CC(C)(C)N2C(C)C 223612735 BRWOGENWGBAGFA-ZJVWCJDDSA-N 468.645 6.243 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc(F)c1)c1ccc(Cl)cc1Cl 408580476 PTABNIRZOAPVNY-CXUHLZMHSA-N 477.160 7.538 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1OC 408581575 IZHQAXHUQJKIHQ-YBFXNURJSA-N 450.878 5.909 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1C 408607773 OHHSSUGFDXLBHW-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccco3)c2-c2ccccc2)cc1 408741521 JIKWSSWEDCXFAZ-NJZRLIGZSA-N 475.548 6.567 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1ccccc1Cl 408797426 RPFNPHZXGOZNPX-CXUHLZMHSA-N 475.734 6.911 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OC(C)C 408814775 SFDKOYJLLDVZDM-VCHYOVAHSA-N 457.368 5.798 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1OCc1ccc(Cl)cc1Cl 408881134 IAVRNJWZPWROCS-FYJGNVAPSA-N 495.406 7.079 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1cccc2ccccc12 408890151 ORCXTQAQOXPYMZ-HAVVHWLPSA-N 476.532 6.312 50 40 JKGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)o1 408893339 FABIBMRKFBYBNS-FMIVXFBMSA-N 458.257 5.716 50 40 JKGB CS(=O)(=O)N(CC(=O)NN=C1CCCCCCCCCCC1)c1ccc(Cl)c(Cl)c1 408922540 BZWRNJKNXYSFFK-UHFFFAOYSA-N 476.470 5.536 50 40 JKGB CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 408954029 QYUGRQQKVBKZKS-VXIUPONVSA-N 451.954 5.273 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc(C)c1 408983901 OBUHQZIYDLRHAN-NHDPSOOVSA-N 495.406 7.134 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409082320 SFMXPFONUJPTRC-GZTJUZNOSA-N 497.429 6.269 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)c1ccc(Cl)cc1 409192329 WLAFNDXSEZORBT-KBKYJPHKSA-N 496.163 6.238 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409252704 UTGHTZLCVLTUKD-KGENOOAVSA-N 457.486 5.384 50 40 JKGB COc1cc(C(=O)N/N=C\c2cc(Cl)c(OC)c(Cl)c2)ccc1OCc1ccccc1 409322410 WRIGOIAZVRTTCX-ZMFRSBBQSA-N 459.329 5.354 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 2327798 KXHNNCGBUBEXGJ-YMGIJWJESA-N 489.984 5.414 50 40 JKGB N#C/C(=C\c1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2708498 LLRPEIAQJXYURD-SFQUDFHCSA-N 468.538 5.080 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1CSc1nc2ccccc2s1 2801481 YFDYWUNNRISKGH-DHRITJCHSA-N 468.003 6.015 50 40 JKGB N#Cc1cc([N+](=O)[O-])ccc1Oc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1 2801880 WQCGVMMMAMXVII-BRJLIKDPSA-N 455.257 5.329 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1cc(Cl)cc(Cl)c1 3232110 ZVPLSPGZUPGTPW-RQZCQDPDSA-N 457.744 6.771 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)[C@@H]1COc2cc3ccccc3cc2O1 4045388 RROIEFVRIYFULQ-VFHZOOBCSA-N 461.521 5.133 50 40 JKGB O=C(O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1ccccc1F)N2 6445645 OCDBIIVGALZXKN-AAKLWPEZSA-N 498.963 6.471 50 40 JKGB CC(C)c1ccc([C@H](Nc2ccccc2)[C@@H](SC#N)C(=O)c2cccc3ccccc23)cc1 16575823 XFUSRJUHTYWYQV-LMSSTIIKSA-N 450.607 7.582 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 20240606 BOQXPHXNEOLZKZ-UXHLAJHPSA-N 480.439 6.212 50 40 JKGB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccccc1Cl 20348405 PGPRRULMARRIDK-HSZRJFAPSA-N 482.005 5.279 50 40 JKGB O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 39383567 MNWFWUSKANEKQG-VULFUBBASA-N 467.750 6.209 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)c(Br)c(Br)c1O 59109335 SIUMHOZUJMQZSX-IZZDOVSWSA-N 463.129 5.175 50 40 JKGB COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(/C=N/NC(=O)c2ccc(F)cc2)c1 59417194 XSJWHRARYJRHRI-KKMKTNMSSA-N 477.370 5.318 50 40 JKGB CC1(C)CC2=NC(SCC(=O)c3ccc(Cl)cc3)=C(C#N)C3(CCCCC3)C2=C(O)C1 104157029 QEOQSTTYQGGGHR-UHFFFAOYSA-N 455.023 7.028 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1cccc([N+](=O)[O-])c1 107715915 NOCMSZKKZCIWMA-NHDPSOOVSA-N 475.331 7.698 50 40 JKGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)oc12 208205376 PQWGTJXMRUVKGC-JUCPORTRSA-N 484.394 5.690 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 408578821 BGAAUJXATAFVEB-WOJGMQOQSA-N 469.324 6.943 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408612567 VTILEJYYPFDSGH-RPPGKUMJSA-N 476.747 5.315 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1 408742329 AAPHLGSGADWYSB-QRVIBDJDSA-N 487.386 7.580 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1cccc(Br)c1 408765515 LPKWOTSIMBTXFB-PDGQHHTCSA-N 451.295 5.713 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1ccc(N2CCOCC2)cc1 408784104 RMKIDSAQDJYEQE-JCMHNJIXSA-N 462.391 5.757 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1cccc2ccccc12 408790825 RGSZMHRLXPVDFW-PCLIKHOPSA-N 462.549 6.590 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1 408791361 WOYCQCXMYWGXGR-LPYMAVHISA-N 460.961 6.480 50 40 JKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408794708 AZLGQDCULHREIJ-CPNJWEJPSA-N 490.390 6.859 50 40 JKGB N#C/C(=C\c1c(Cc2ccccc2Br)ccc2ccccc12)C(=O)Nc1ccccc1 408871616 HUWDDERJWMTPGH-OQKWZONESA-N 467.366 6.739 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(Br)c2)cc1 408872748 PTHZQSWJJRYCFF-UDWIEESQSA-N 465.778 6.547 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(Cc2cccc(F)c2)ccc2ccccc12 408877501 WIOOIUWTBBBAHY-CJLVFECKSA-N 454.932 7.077 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OC(=O)c1cccc2ccccc12 408892112 BDWCAYXTDYXJFW-RCCKNPSSSA-N 492.487 5.311 50 40 JKGB N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1c(Cl)cccc1Cl 408898435 LGMSCWHJRHAQQY-DHZHZOJOSA-N 462.676 6.361 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1 408898858 XZDOGFZPXYMANJ-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB COc1ccc(Oc2ccc(-n3c(C)cc(/C=C(\C#N)C(=O)NC[C@H]4CCCO4)c3C)cc2)cc1 409205700 FFLZPSKFZMUROE-POVALPJUSA-N 471.557 5.097 50 40 JKGB COc1ccc(Oc2ccc(-n3c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]4CCCO4)c3C)cc2)cc1 409205702 FFLZPSKFZMUROE-UJLHVFMHSA-N 471.557 5.097 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1OCC 409312968 ANRCMCXXZLIFQY-MWLSYYOVSA-N 499.394 6.300 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Br)ccc1OCc1ccccc1F 661008 QICUNALAZUIFSC-JOCHJYFZSA-N 467.294 5.091 50 40 JKGB Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C1CC(C)(C)CC2=O 713626 JOLBAFOCXRXSDQ-QHCPKHFHSA-N 461.949 5.318 50 40 JKGB ClCCN(CCCl)Cc1ccc(-c2c3ccccc3cc3c2ccc2ccccc23)cc1 1705583 YDCQPLYNGLPKKZ-UHFFFAOYSA-N 458.432 8.093 50 40 JKGB CCCCCCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1 8927609 NHNFHUBVCYGGHT-LYBHJNIJSA-N 487.669 7.722 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)cc1Cl 13174464 ZVXNMXSXILZHBF-QHCPKHFHSA-N 498.435 6.103 50 40 JKGB C/C(=N\NC(=O)c1ccoc1C)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 20352683 XSKXOQBMPNTEPZ-JEWIKEISSA-N 453.926 5.110 50 40 JKGB C/C(=N/NC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 22710007 IWDZBVAOARZRDJ-OERDPYIISA-N 473.985 6.361 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCC(=O)Nc1ccccc1 33623058 VUZRJLQABIWDKR-BOPFTXTBSA-N 481.321 5.678 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)c1ccccc1F 33745090 KKXGKWOPGUTDBD-SXGWCWSVSA-N 460.705 7.024 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Br)c(Cl)c1 34848693 OJDVAYHZMQDEBH-MSXFZWOLSA-N 489.757 5.111 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 59447261 XAJUTWHMPLJCHT-STBIYBPSSA-N 458.945 5.774 50 40 JKGB N#C/C(=C/Nc1cccc(Br)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 100057795 VAAIQDJBUFQZAO-HKWRFOASSA-N 458.384 7.216 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCC 108229236 VUYNGCMFYPBCBW-XSFVSMFZSA-N 485.422 6.661 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 408526569 CODPOQNXHJCFQU-VFLNYLIXSA-N 461.871 5.500 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccc(C(=O)O)cc1 408543116 PBTXQLJIDUPCEC-UCQKPKSFSA-N 484.349 6.944 50 40 JKGB N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)c1ccc(Br)cc1 408778385 SXKGMFWWNFEVBS-CYVLTUHYSA-N 493.857 7.914 50 40 JKGB Cc1ccn2c(C(=O)N/N=C/c3cc(C)n(-c4cc(Cl)cc(Cl)c4)c3C)c(C)nc2c1 408780515 COVVATOHFUPESK-RPPGKUMJSA-N 454.361 5.429 50 40 JKGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 408793313 OIWTYXYIRCNIMG-NTUHNPAUSA-N 482.161 5.875 50 40 JKGB Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1 408800018 MUJSDRCAAYXCFV-PXLXIMEGSA-N 452.941 6.926 50 40 JKGB O=C(N/N=C\c1cc(Br)c(Br)o1)c1cc2cc(Br)ccc2o1 408818053 ZDWOVSBWUPLHEH-FXBPXSCXSA-N 490.933 5.077 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(Br)cc1 408819392 RTJZTPBXWXAABK-QNGOZBTKSA-N 491.360 6.441 50 40 JKGB Cc1ccc(COc2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2)cc1 408847056 OTIUDDIFNBHLOI-WGARJPEWSA-N 463.331 5.847 50 40 JKGB Cc1ccc(NCC(=O)N/N=C/c2c(Br)c(C)n(-c3ccccc3)c2C)cc1C 408849503 WGQKAZNHZQCOGG-LGJNPRDNSA-N 453.384 5.036 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2ccc(C)c(C)c2)cc1 408860485 WRFIMNVAOWBTOA-UHFFFAOYSA-N 483.678 5.516 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Cl)c1)c1cccc(I)c1 408883177 RVFOPUREAVHMPR-ZMOGYAJESA-N 490.728 5.288 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Br)cc1C 408896600 SJIJVNMEADOMMS-UDWIEESQSA-N 495.804 6.844 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408901048 ZNKNWODBMMEUTB-YRNVUSSQSA-N 462.676 6.361 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)C(=O)Nc1ccccc1 409044858 CWXCTBBPUUJHED-QGOAFFKASA-N 476.330 5.012 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Cl)c1OCc1cccc(F)c1 409097910 NXPAQSITMBHBSS-DEOSSOPVSA-N 494.906 5.404 50 40 JKGB C=CCc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OCC)c1OCc1ccccc1 409203864 YMCPDSOFKIVTBW-STBIYBPSSA-N 495.044 6.289 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC 409214022 WVSXSRYLRUHPFP-DHDCSXOGSA-N 464.259 5.061 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)NCCCc1ccccc1 409248708 ICTQIWSCMLMTNW-BKUYFWCQSA-N 483.370 6.367 50 40 JKGB Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C 409259832 GFVXCEGXCYYBGD-DEDYPNTBSA-N 493.485 5.885 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2C)cc1 409270359 DQSZTIJUTVORLK-CJLVFECKSA-N 469.541 5.265 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409272673 RLKQXDMINBQUIW-HYARGMPZSA-N 471.513 5.692 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1OC 409321197 FJQAUHHYICWQBM-YUMHPJSZSA-N 495.373 5.365 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1OC 409321393 GFDIGDQGNMCPCK-MBTHVWNTSA-N 470.928 5.619 50 40 JKGB O=C(NC1CCCCC1)NN(C(=O)Nc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 1415220 GMSGXDJXIBXPDR-UHFFFAOYSA-N 469.998 6.049 50 40 JKGB COC(=O)c1c(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc(C)c1C 2196430 DVOORMDWFREVRI-GDNBJRDFSA-N 463.540 5.358 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C)cc1 3212542 SPNJYNIUWRCGLJ-ZCTHSVRISA-N 458.565 6.382 50 40 JKGB CC(C)(C)[C@H]1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 8783222 PKPNCDBPQDISDP-FDQWARGOSA-N 465.424 7.595 50 40 JKGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1 13297903 LSAJBPGSDVDBJG-DEOSSOPVSA-N 492.044 6.086 50 40 JKGB COc1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1 13894596 GLPREXZUHMBXCI-DEDYPNTBSA-N 497.378 5.683 50 40 JKGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(/N=N/c3ccccc3)cc1)[C@@H](Br)C2=O 16038252 WJVDGQHEYIHWJJ-ZCXFHZEKSA-N 454.368 6.199 50 40 JKGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(Br)cc1 16758928 AEBHOASBASKCHA-FBKQIBBUSA-N 491.794 5.092 50 40 JKGB CSc1ccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1 30750414 ZRKUYGIWOCRYDZ-FBHDLOMBSA-N 481.093 5.448 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)NC[C@@H]1CCCO1 33248325 HAKJCAIVGIYHII-YZILGEIOSA-N 454.357 5.199 50 40 JKGB O=C(N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)Nc1ccc(Cl)c(Cl)c1 33613147 LMIDQZHRGVBXAJ-DXSSFCHOSA-N 471.388 5.564 50 40 JKGB O=C(O)COc1ccc(/C=N\NC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl 59249074 CMQJPGCTAWDPAS-MUXKCCDJSA-N 481.980 5.427 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C2=C(O)CCCC2=N1 102861985 KEDAKDKVACIVBM-OAQYLSRUSA-N 453.951 5.883 50 40 JKGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)N=C2CCCC(O)=C21 104129333 BFXLFUHIZYLHSP-SANMLTNESA-N 487.625 6.343 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)c(C)c1 107632007 KVJJFKFGGJSQCE-XDHOZWIPSA-N 477.923 5.659 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)c3ccccc32)c1 408543352 QKHKDWDSGVKDNZ-HAHDFKILSA-N 463.537 5.639 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1cccc(Cl)c1 408580859 SCVONVOLLXKRMO-GIJQJNRQSA-N 489.196 7.408 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408582384 NMYRPHAKGFOOAR-UDWIEESQSA-N 464.905 6.299 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(Cl)c1 408739532 CMOPPCYRMXRJJI-VULFUBBASA-N 462.893 5.680 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 408744773 MRUHKJFYEIZJRC-NVMNQCDNSA-N 482.323 6.335 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)c(OCC)c2)c1 408744967 IVJUAZIVMSPGRG-UCQKPKSFSA-N 467.525 5.480 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1C 408746159 BVYPMDVWSSOINI-BOPFTXTBSA-N 495.333 5.319 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c(C)c1 408788997 GYMQHDUIMQUGNT-UDWIEESQSA-N 495.804 6.844 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC 408796192 XJBAGVWTBWOZNE-WOJGMQOQSA-N 453.336 5.022 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccccc1C(=O)O 408856159 ISBJGZKKVNVKMD-ROTLSHHCSA-N 480.318 5.065 50 40 JKGB COc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Br 408858362 YMXRYOHYHPGOMN-WNFQYIGGSA-N 486.547 5.384 50 40 JKGB CC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)o2)cc1 408859466 UNDOFFSPLVHEJA-MSXFZWOLSA-N 451.276 5.422 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2F)cc1 408879814 GWPPTPPXUHLSJO-DEDYPNTBSA-N 493.332 5.511 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 408890185 PHSIOWPMXFFPNI-SFQUDFHCSA-N 487.364 5.615 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cc(C)cc(C)c1 408892287 AJILFSMJPHSUGD-CIAFOILYSA-N 480.486 6.456 50 40 JKGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1ccccc1Br 409021522 LPOLVRRTWUMWAV-SRZZPIQSSA-N 451.798 6.079 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2[C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1 409123295 FUUGFZLKKKJMOV-JOCHJYFZSA-N 465.347 5.151 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1cccc(F)c1 409192091 USIZVNRFLRDGRN-YVLHZVERSA-N 473.342 5.142 50 40 JKGB Cc1ccc(Sc2ccc(/C=N/NC(=O)c3ccc(I)c(O)c3)cc2)cc1 409232794 PZPDCGCXIZYORY-YDZHTSKRSA-N 488.350 5.220 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12)c1ccccc1 409240075 PLESFGSPZAWBOR-JTOYMXJDSA-N 476.532 5.901 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1C 409272661 RJIJUWYJFKMNMS-UDWIEESQSA-N 461.905 5.947 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)ccc1OC 409311607 BIOMFINWRKGETM-VYYCAZPPSA-N 473.356 5.744 50 40 JKGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 409366702 XOEBMUGZDOCZTB-VYYCAZPPSA-N 471.340 5.036 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OCc1ccccc1Cl 643875 ALUJXRXQRVVZPF-AREMUKBSSA-N 498.970 5.640 50 40 JKGB Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(Cl)cc1C 2111159 WDGUCTLTBVQBLF-RUZDIDTESA-N 477.004 6.295 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccccc1Cl 2162533 SQDGLXMVAOIEMX-KBVAKVRCSA-N 498.966 6.981 50 40 JKGB COc1ccc(N2CSC3=C(C#N)[C@H](c4c(OC)ccc5ccccc45)CC(=O)N3C2)c(OC)c1 2194627 IWYHVMRKCCLQFQ-HXUWFJFHSA-N 487.581 5.085 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(I)cc1 10118407 LNRFLBQDKYBMGC-SRZZPIQSSA-N 495.114 5.078 50 40 JKGB Cc1ccccc1COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2I)cc1 12555924 DMQSFFOYVTUZBF-XSFVSMFZSA-N 494.332 5.724 50 40 JKGB Cc1cccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccccc2)c1 20059480 GGLFGRIEGDFFEK-ZTKZIYFRSA-N 483.593 5.154 50 40 JKGB Cc1ccc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3ccc(C)c(C)c3)c2C)cc1 20243632 NQLJCFBHQFREKZ-UVHMKAGCSA-N 498.490 6.165 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cccc(C(F)(F)F)c1 26771251 WUMVXAVQKXEPJY-XYOKQWHBSA-N 451.231 6.818 50 40 JKGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1 33758623 SKUAUUUYZCMWRI-MIXAMLLLSA-N 467.525 5.042 50 40 JKGB COc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)ccc1OCCSc1ccccc1 41108898 WDUOXKTXRUYCRC-XDJHFCHBSA-N 487.606 6.671 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCC#N 59336466 KLLJHMYTFBSEDY-JYRVWZFOSA-N 495.160 5.603 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc(F)cc1 107729608 HLHKTYHITBGUJQ-UCQKPKSFSA-N 458.489 6.504 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 108132645 IEYUFPHNIVOGIH-OCSSWDANSA-N 451.957 6.189 50 40 JKGB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(C)CC(=O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C 118912400 VJESLMVYXPLTHU-APYFDJFPSA-N 479.587 8.440 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1 216044308 UHVFOJBNKGTMSR-NTFVMDSBSA-N 495.417 5.736 50 40 JKGB CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1 408599572 WNQLAYSSCFSTLJ-DEDYPNTBSA-N 472.526 6.106 50 40 JKGB O=C(N/N=C\c1cccc(Br)c1)c1ccc2c(c1)CN(c1ccc(Cl)cc1)C2 408728438 MJWGKJICJMFDPP-ROTLSHHCSA-N 454.755 5.387 50 40 JKGB N#CC(C#N)=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 408733172 WNTVXXCRJGXLCR-UHFFFAOYSA-N 450.339 7.004 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1 408743305 FOWHDHOOZLCEJG-HAHDFKILSA-N 497.392 7.035 50 40 JKGB N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1I 408788332 JPNKEBLPKXGIPY-KPKJPENVSA-N 498.107 5.046 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1 408794460 SHWUYRBGWHMOGC-HZHRSRAPSA-N 452.941 6.926 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c([N+](=O)[O-])cc1OC 408810779 LDZLFXDVTWMRHU-QRQIAZFYSA-N 484.512 5.142 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(OCc2cccc(Cl)c2)c1 408811745 KRIXXRWXOITQEN-LDADJPATSA-N 497.776 6.236 50 40 JKGB Cc1cccc(Cn2cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c3ccccc32)c1 408850615 PMPWUEHQAWVOHT-MUXKCCDJSA-N 486.369 6.271 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2c(Br)c(C)n(-c3ccccc3)c2C)c1 408857686 VTDCINJQBDUUNG-AQTBWJFISA-N 464.363 5.801 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 408859299 SCPCBRDSIGPRPC-LDADJPATSA-N 494.809 7.504 50 40 JKGB COc1cc(/C=N/NC(=O)c2sc3ncnc(N)c3c2C)ccc1OCc1cccc2ccccc12 408974256 XZSUOJKRAVPYOK-IURWMYGYSA-N 497.580 5.087 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Cl)c1OCc1ccccc1F 409050985 FZTRJHFCYKWUHD-KKMKTNMSSA-N 461.320 5.792 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2[C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1 409135924 RDGBCGOTCCXYMQ-QHCPKHFHSA-N 463.331 5.260 50 40 JKGB O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc(Cl)cc1Cl 409177203 DKASRUJMCHMOGB-IPPBACCNSA-N 483.782 7.143 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1C 409251116 OLFKMTIZWPRWFI-XDHOZWIPSA-N 475.932 5.226 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c2)c(C)c1 409262413 IORPEJDXCVINOZ-NDENLUEZSA-N 459.933 5.520 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 409264116 JZIMOWZAKDUSCO-MOSHPQCFSA-N 459.933 5.520 50 40 JKGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c2ccccc21 409389784 AFZAFTFGXNGUKJ-VTNSRFBWSA-N 457.537 5.277 50 40 JKGB O=C(CNc1cccc2ccccc12)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 409391814 LODKAPQEZDWUJI-FJEPWZHXSA-N 478.379 6.288 50 40 JKGB Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C)o3)C3=C(CCCC3=O)N2)c(C)c1 2311084 WXDCWVROVZGECW-QHCPKHFHSA-N 461.587 5.314 50 40 JKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1 2553556 NOUBHGGFGGZHHA-WOJGMQOQSA-N 486.424 6.765 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 3206185 RHQNVLYLBSJOFO-CXUHLZMHSA-N 458.370 5.985 50 40 JKGB N#C/C(=C\c1cn(-c2ccccc2)nc1C(=O)c1ccccc1)C(=O)Nc1ccccc1Cl 3321940 SJIVTIHXZXIYSA-XDJHFCHBSA-N 452.901 5.302 50 40 JKGB CCN(CC)c1ccc2c3c(c(=O)oc2c1)[C@@H](c1cc2cccc(C)c2nc1Cl)C(C#N)=C(N)O3 6078536 ZHAMVTZFZCLADY-NRFANRHFSA-N 486.959 5.367 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1c(Cl)ccc(Cl)c1Cl 6143351 QBMFQRFZZQPKLF-XNTDXEJSSA-N 484.770 7.175 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3NS(=O)(=O)c3cccs3)c2C)cc1 6146760 HXJHPGBXAUVMMB-WGOQTCKBSA-N 492.626 5.029 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc2n1Cc1ccccc1 10118668 ZPTYPZRVZNAQJB-CVKSISIWSA-N 493.348 5.367 50 40 JKGB Cc1ccccc1C[C@@H]1S/C(=C(\C#N)C(=O)c2c[nH]c3ccccc23)N(c2ccccc2)C1=O 11851793 UTYXTEIWCRQRMZ-RMNOPMHCSA-N 463.562 5.786 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC(C)=O 12140002 JHRCPLGVHGXBRT-LZYBPNLTSA-N 485.359 5.579 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C(F)(F)F)C3=C(CCCC3=O)N2)c1 13174470 IHWRZIUKECRYJY-HSZRJFAPSA-N 497.542 5.815 50 40 JKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OC 15911066 WSIUPKIALGBQOQ-RCCKNPSSSA-N 488.547 6.136 50 40 JKGB N#C/C(=C/Nc1ccc(C(N)=O)cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 17201141 JFUBJGJOQYKZPM-LGMDPLHJSA-N 464.506 5.145 50 40 JKGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)[C@@]1(C)CC[C@H](c2nc3ccccc3[nH]2)C1(C)C 22747077 RSKPKTQRNONGQM-AKERVFFKSA-N 489.023 5.771 50 40 JKGB CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1 33547557 NGTPVUJACIRDEN-LGJNPRDNSA-N 456.329 5.295 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 35362082 KYOWEJZQBFHOBV-RMORIDSASA-N 469.862 5.185 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59249652 FUTJUAYCZCKGAA-SXGWCWSVSA-N 454.313 5.645 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc12 59447371 FHLKSQLSYHZHHY-RDRPBHBLSA-N 483.524 5.419 50 40 JKGB Cc1cc(OCc2ccc(C(=O)N/N=C3/CCCC[C@@H]3C3CCCCC3)cc2)ccc1Cl 102931324 AGJITWOFSNTODI-QNGMXQGTSA-N 453.026 7.084 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1F 107738847 SSMXHZFVVLRBEN-NVMNQCDNSA-N 483.293 6.148 50 40 JKGB CCOc1ccc(C2=C(C=NNC(=O)c3ccncc3)[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1 245266987 KZFPXKYRTNSREV-MUUNZHRXSA-N 493.538 5.971 50 40 JKGB N#C/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)Nc1cc(Cl)ccc1Cl 301398116 DFBPPAJPCWIAJQ-OQFOIZHKSA-N 490.966 5.770 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 408541330 FYHAJKWROGDCAK-XYGWBWBKSA-N 466.512 6.575 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1ccccc1 408568488 JSZQGLWJPHVYKL-ZDLGFXPLSA-N 492.348 6.506 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 408580590 CUNYQTODZROZBG-DEDYPNTBSA-N 483.973 5.888 50 40 JKGB O=C(CCCC(=O)Nc1ccccc1Br)N/N=C\c1c2ccccc2cc2ccccc12 408718507 SEMPNMLQKCTXHB-QRQIAZFYSA-N 488.385 6.015 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1-c1cccc2ccccc12 408725494 QFUMOEMDXNKJQH-FMFFXOCNSA-N 496.570 6.624 50 40 JKGB Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 408748949 CYCFOSWRUXUADQ-LQNQUEJISA-N 492.406 5.787 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2)c1-c1ccccc1 408779536 XXVGNYFSZBWDCP-QJOMJCCJSA-N 451.957 6.960 50 40 JKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(I)cc3)c2C)c1 408784778 XGYRWYXBCUKKDV-MOSHPQCFSA-N 495.364 5.861 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1I 408788987 NQUBLRQZJABQPE-GZTJUZNOSA-N 458.299 5.019 50 40 JKGB CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC 408791734 BRBNFTLRRUQKKK-KGENOOAVSA-N 476.960 6.262 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc2ccccc2c1 408812307 OIKVBLXNKQNSBJ-MZFJOGFUSA-N 490.559 6.666 50 40 JKGB O=C(Cc1ccccc1)Nc1ccc(C(=O)NNC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 408842075 IIWPGNSLADESPR-UHFFFAOYSA-N 498.391 5.464 50 40 JKGB Cc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(C)c1OCc1ccc(Cl)cc1Cl 408853205 ZRWRWYLRXNSQIF-RGVLZGJSSA-N 487.224 8.016 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1cccc(F)c1 408885998 CLEVWJOANSDZFT-RQZCQDPDSA-N 454.860 5.751 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1c[nH]c2ccc(OCc3ccccc3)cc12 408887934 UYEDYYRTRUIWTC-MZJWZYIUSA-N 478.346 5.282 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408933351 AWHUNJVQKUTRJY-YBEGLDIGSA-N 454.313 5.645 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccccc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 408998305 PWAVIZFJYLOXGX-LCYFTJDESA-N 493.304 6.758 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409047257 NVOCIRZJIKRYPH-UDWIEESQSA-N 489.959 5.529 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 409063573 CPXMGYJWAMOAMI-BUVRLJJBSA-N 484.508 6.063 50 40 JKGB CN1C(N)=C(C#N)[C@H](c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C2=C1CCCC2=O 409122697 AYNBNBBLZQYGET-NRFANRHFSA-N 488.802 5.956 50 40 JKGB Cc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(I)cc1 409199214 BWJPEHVZDYWJMM-LDADJPATSA-N 469.282 5.671 50 40 JKGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3Cl)=C2C#N)cc1Cl 409336466 SRUGWNIHJAICEB-ZDUSSCGKSA-N 496.803 5.366 50 40 JKGB Cc1ccc(C)c(CC(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)c1 409360416 FIGANMTWFNKDKK-YSMPRRRNSA-N 451.364 5.338 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Br)c1)C(=O)Nc1ccccc1 409370169 MEWKFWUQCGRXBO-SFQUDFHCSA-N 494.320 5.151 50 40 JKGB Cc1cc(/C=N/NC(=O)CNC2CCCCC2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 409385696 JNQKSHNLVWHFBC-STBIYBPSSA-N 473.577 5.042 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCc1ccc(F)cc1 1439465 PRUPMQDVNFQIQW-KGENOOAVSA-N 473.504 5.307 50 40 JKGB CC(=C/c1ccccc1)/C=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1 1823060 CZKVVTMXTJZXQI-PFLXWDQXSA-N 490.679 6.281 50 40 JKGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2CCc2ccccc2)c(OCC)c1 1911547 AFGAKYOBRLSJJT-HKOYGPOVSA-N 469.537 5.560 50 40 JKGB COc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc(OC(F)(F)[C@H](F)Cl)cc3)sc2c1 3265037 PLNVWOXTAVTFPC-WEMJQBFDSA-N 477.291 5.833 50 40 JKGB CC(C)/C=N/N(CCOC(=O)Nc1cccc2ccccc12)C(=O)Nc1cccc2ccccc12 5540853 USKYHCBPVWQRDH-VUTHCHCSSA-N 468.557 6.717 50 40 JKGB CCOc1ccccc1N1CSC2=C(C#N)[C@@H](c3cccc(OCc4ccccc4)c3)CC(=O)N2C1 12251030 IKKRDXHOGMNVNW-XMMPIXPASA-N 497.620 5.884 50 40 JKGB COc1cc(N/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c(OC)cc1Cl 13774305 BHJBUEAFZLEZAQ-AQTBWJFISA-N 453.995 6.656 50 40 JKGB C/C(=N/NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)c1ccc(OC(F)F)cc1 33624377 OBNKNRLZEYSKLS-YKQZZPSBSA-N 466.528 6.319 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 59335711 IQYHUOYWEMSSOA-UCQKPKSFSA-N 483.524 5.765 50 40 JKGB C/C(=N\NC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 59401630 QODMJFNWSMOYAB-VULFUBBASA-N 470.754 5.509 50 40 JKGB CC1(C)CC2=NC(SCC(=O)Nc3ccccc3F)=C(C#N)[C@H](c3ccc(Cl)cc3)C2=C(O)C1 102606503 RHRGFGRUEHEIIU-QHCPKHFHSA-N 496.007 6.756 50 40 JKGB O=C(Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br 102655064 PNNNISKKHJTMNW-RGTCPLQGSA-N 497.172 5.295 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)ccc1OCc1cccc2ccccc12 216042371 ZPNHCUJNYHFXLH-YKQZZPSBSA-N 452.554 5.737 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3cc(Br)ccc3OCc3ccccc3Cl)[nH]c2cc1C 408541885 FIZYJXHAEIWJAU-YBFXNURJSA-N 492.804 7.239 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccccc1 408568440 ULEVVYJTLHCSGC-MFOYZWKCSA-N 478.321 6.116 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4ccccc4OC(F)F)cc3)[nH]c2cc1C 408604470 JRIUOGYMLDDFIP-CPNJWEJPSA-N 488.494 5.863 50 40 JKGB CCc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4Cl)cc3)CC2=O)cc1 408611376 WAMCOPXXCKXQLP-LJQANCHMSA-N 498.410 5.631 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 408613397 ZNLAMTQHORMFAJ-XODNFHPESA-N 475.854 5.027 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c2ccccc2n1Cc1ccccc1C#N 408677085 PALKIODRQBBYMS-ZCTHSVRISA-N 461.569 5.234 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc2ccccc2c1 408763217 OIWJSJNWPRABAD-OVVQPSECSA-N 454.529 7.118 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1OC 408776482 PCJBSZAOZDHGKU-YVLHZVERSA-N 471.351 5.355 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408793262 DPVFLNQBXZGWEY-CJLVFECKSA-N 464.477 5.769 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1ccc(C)cc1 408799419 ZFLSQNIWEXZLAG-HZHRSRAPSA-N 470.525 5.305 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1cccc(F)c1 408799652 ZYSMIXVEWKTOAQ-FYJGNVAPSA-N 474.488 5.136 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1C 408810071 OWJQDIALAGNIJV-XQNSMLJCSA-N 466.968 7.235 50 40 JKGB Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccccc3OCc3ccccc3)cc2)cc1 408823855 GPJRRNMFKOYLKD-ZXVVBBHZSA-N 474.560 6.699 50 40 JKGB O=C(N/N=C\c1cccn1-c1ccc(Br)cc1)Nc1ccc(Br)cc1 408847905 WRRBDXIJSAOMGH-MTJSOVHGSA-N 462.145 5.158 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 408881065 LONYVXGJHWVSJK-HEWHHCIISA-N 485.653 5.934 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)c([N+](=O)[O-])c1 408893839 GEHLVMKYIPNCIH-GZTJUZNOSA-N 477.860 5.022 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1c(OS(=O)(=O)c2ccc(C)cc2)ccc2ccccc12 408897028 PUVOUIUJIGAMQO-PTGBLXJZSA-N 496.588 6.024 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)o1 408924818 OOVDRKGHQTTYKN-XYOKQWHBSA-N 458.257 5.716 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12 408988871 RWAKSUSDHFVFCV-ZHZULCJRSA-N 474.391 7.159 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)cc2c1 409187162 MYCMMJQCKVUAID-GATIEOLUSA-N 488.283 6.070 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409217496 CNKYWZGVQMYATQ-DEDYPNTBSA-N 489.959 5.610 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1 409217592 DNQIYYSDDUFOGB-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)n1 409234331 ZJUYDJDUPSMLSN-WKULSOCRSA-N 479.609 5.492 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1 409247242 CPZGHDUSNDACOR-WQRHYEAKSA-N 467.403 5.738 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)ccc1OC 409322256 IRLMEEXRUAQLHN-DICXZTSXSA-N 468.937 5.099 50 40 JKGB Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 409360256 MPZJQRBLSCCCRZ-RHANQZHGSA-N 487.397 6.183 50 40 JKGB OCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 642882937 WFKMXHDSNDRERD-LURJTMIESA-N 496.098 5.446 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)s2)cc1)c1nc2ccccc2[nH]1 6143844 NBBLYDLYKQYOPP-SDNWHVSQSA-N 450.317 5.670 50 40 JKGB C/C(=N\NC(=O)[C@H](C)SCc1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 8398689 RIPRBVCUQPNQHC-ADXYVXIDSA-N 466.006 5.754 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(C)cc2)cc1 8798577 SEZIVLBQZWMZGV-NLTRVXJZSA-N 488.012 6.022 50 40 JKGB CC(C)c1ccc(/C=N/NC(=O)c2ccc(CN3c4cccc5cccc(c45)S3(=O)=O)cc2)cc1 13121618 LQQSQDUOSBPQEH-STBIYBPSSA-N 483.593 5.436 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OCc1ccccc1 13388159 SNFYOWFTDMVCIC-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\c1c(O)ccc2ccccc12 13583830 RIEPJFPWJAZQJK-QRQIAZFYSA-N 479.565 5.036 50 40 JKGB Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)c1 13896539 LZMDYCBWKRNLER-NDENLUEZSA-N 483.351 7.040 50 40 JKGB CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/C(C)=C/c2ccccc2)cc1 14923311 ZKNQDTQBLAKPJQ-IXKJBPJBSA-N 480.612 5.509 50 40 JKGB CC/C(=N\NC(=O)COc1ccc(Cl)cc1Br)c1ccc(-c2ccccc2)cc1 16102324 VHIHKWCDWIYPQQ-YYADALCUSA-N 471.782 6.079 50 40 JKGB N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 16544873 QWTGRMMFSJDCDM-QNGOZBTKSA-N 496.397 7.695 50 40 JKGB C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 20352664 NBRYIYPFFHYTGT-ROZPFKJRSA-N 488.975 5.690 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCC(=O)Nc1ccccc1Cl 23217290 IWHOZJBBJXGKJV-SXZORUHJSA-N 489.959 5.150 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccccc2)cc(Br)c1OCCOc1ccc(C)cc1 26608162 PVIIWSDDXOJNKF-PXLXIMEGSA-N 478.386 6.678 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 28216521 DRLWFNOFXODJAO-PZIWGWIQSA-N 480.848 6.685 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117589 JWWQDRNKJHIJTM-MHWRWJLKSA-N 492.189 7.425 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(F)cc1 59282045 YHTBFZLLVPONQX-XDHOZWIPSA-N 484.449 6.368 50 40 JKGB O=C(N/N=C\c1ccc(N(CCCl)CCCl)cc1)[C@@H](Cc1ccccc1)c1ccccc1 104049585 LPZGJRUEMWWVFF-KBEPDDGKSA-N 468.428 5.447 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 108171720 MQLGVUICJLZEGI-XODNFHPESA-N 469.492 5.182 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 207149275 NSTBNSYUDSYDGZ-WQRHYEAKSA-N 494.809 7.504 50 40 JKGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2[C@H](C)CC1(C)C 208323212 SVGWTEUJGLPIIW-SPMKTWQFSA-N 454.618 5.854 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 408535001 XCHBMEWWQGXHJN-WQRHYEAKSA-N 459.170 7.399 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3o2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408551467 LAHXYMRYJUTIHV-MHWRWJLKSA-N 494.334 6.225 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)c1 408745213 QHDDKBDUKAHHIW-HAHDFKILSA-N 497.392 7.035 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1Br 408745489 SQYIUTZMRDRVKG-OQLLNIDSSA-N 476.168 5.631 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1Cl 408746508 DXCUOVFREQAWOV-YBEGLDIGSA-N 489.200 6.709 50 40 JKGB O=C(Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)c(Cl)c1 408757046 WDYCWESTBWJWCT-KBKYJPHKSA-N 482.150 6.283 50 40 JKGB C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 408772781 HURUXKRASUOHEZ-TURZUDJPSA-N 498.048 5.373 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c(C)c1 408787558 BUUKGZHYKMQTTQ-UDWIEESQSA-N 479.349 6.330 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2Br)c1 408886361 GKRJAWXTINUYHR-LPYMAVHISA-N 475.386 6.499 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1OCc1cccc(Cl)c1 408887066 LSXXWKCMTRQAEW-LDADJPATSA-N 453.325 6.127 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c(C)n1-c1ccc(F)cc1 408927126 ZRXNLUATKWYXCD-OVCLIPMQSA-N 473.291 5.994 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1 408966556 PCVNFTAKRZPOID-DHRITJCHSA-N 494.301 5.446 50 40 JKGB Cc1ccc(CN(c2ccc(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)cc2)S(C)(=O)=O)cc1 409028921 UAEAWIMGUVTBPY-VULFUBBASA-N 490.412 5.032 50 40 JKGB CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1 409044865 DUEWOOYKUKJTHT-NTEUORMPSA-N 494.183 5.555 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 409047108 NBWUMCOYVGSZKK-RQZCQDPDSA-N 459.716 7.198 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1OCc1cccc(F)c1 409078436 HWOIIXYBYQCKDN-FYJGNVAPSA-N 460.480 5.827 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccc(F)cc2)c(Br)c1 409128649 SXAJTFYKYATPFP-JOCHJYFZSA-N 467.294 5.091 50 40 JKGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1Br 409149441 GGPKTXNINDTREA-MZJWZYIUSA-N 482.765 5.246 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(C)cc2)ccc1OC 409309889 NQBIWFROISVJNK-DICXZTSXSA-N 452.938 5.399 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(Cl)c2)cc1OC 409322721 LOLSQBLWSRBOLU-YUMHPJSZSA-N 450.922 5.256 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1ccc(Cl)cc1 409393594 RBWIOOZURMTUDB-GRSHGNNSSA-N 486.768 7.283 50 40 JKGB O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)N/N=C/c1cccc([N+](=O)[O-])c1 1808790 ZZLYPIAUEXLQBZ-NJZRLIGZSA-N 488.547 6.424 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 2228628 PPNGGACYGFUCPQ-XMHGGMMESA-N 464.363 5.801 50 40 JKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c(Br)c1 2300013 CLZMLNOLGZWULP-GXDHUFHOSA-N 475.209 6.620 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(Br)cc1 3097481 JLGNLVKUMXHDFK-JVWAILMASA-N 459.343 5.945 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OC(=O)c1cccc2ccccc12 3231354 ZDUYBAISHSNIQL-LTGZKZEYSA-N 480.495 6.142 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)ccc1OCc1ccc(F)cc1 3266791 OCYXJTCLXIECMM-FDAWAROLSA-N 484.527 5.609 50 40 JKGB CCCN(CCC)c1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 8857485 AHFHLUCXWVVLFV-TWKHWXDSSA-N 465.682 6.556 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1Cl 9203532 HIPMYEUOUUJRAB-BRJLIKDPSA-N 479.205 5.856 50 40 JKGB O=C(NNc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3)c1cc2ccccc2o1 9970017 ZIPHGWCVRMVREH-UHFFFAOYSA-N 462.575 5.345 50 40 JKGB CCN(CC)c1ccc(/C=C2\CCC(/C=N/NC(=O)Nc3ccccc3)=C2N2CCOCC2)cc1 12500740 BSPYRKURPAOLAV-AQGLTECQSA-N 473.621 5.104 50 40 JKGB CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)sc(C(C)=O)c1C 15231481 VGOIGWXKWCNEFF-QGOAFFKASA-N 487.606 6.689 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1C#N 20195238 CNJHWDROVQGAOT-OKCVXOCRSA-N 475.976 5.499 50 40 JKGB CC(C)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)NC3=C2C(=O)CCC3)cc1 20347671 OYSCKHCOOUKOEF-VWLOTQADSA-N 475.589 5.750 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1sc2cc(Cl)cc(Cl)c2c1Cl 26771289 PWQNTAPNPGIFTG-PGGKNCGUSA-N 494.743 6.794 50 40 JKGB N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 27474147 GGNKBHDILQERSS-MKMNVTDBSA-N 480.299 5.651 50 40 JKGB CCOc1c(Br)cc(/C=N\NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1OC 32703901 GJMOBPHFLGAWKF-AFSAKMMISA-N 497.389 5.441 50 40 JKGB O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1sc2ccccc2c1Cl 33343509 UESTVEXFSZKISV-RMORIDSASA-N 460.298 6.140 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C(C)C)c(OC)cc2C)c(C(=O)OCC)c1C 34896692 XPBDOVMBWABNAH-YBFXNURJSA-N 497.613 5.569 50 40 JKGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/C=N/NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1 39353179 MSYDWDZIVIVAIC-SFPDDLBQSA-N 486.660 5.393 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1C 58912750 WGEJMRKRMVEZHS-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccccc1Cl 59272251 PPYVDWUGLNZXFM-YBFXNURJSA-N 467.352 6.435 50 40 JKGB c1ccc(/N=N/c2ccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 100214999 GCULFCLKGQBOGK-QNEJGDQOSA-N 457.517 7.911 50 40 JKGB COC(=O)c1cc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(C(=O)OC)c1 100870253 BLXSPGZPCJGFMD-LFIBNONCSA-N 453.907 5.013 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 102866659 VNFGXQPCSAQHGN-QHCPKHFHSA-N 498.435 6.943 50 40 JKGB Cc1cc(N(CCCl)CCCl)ccc1/C=N\NC(=O)[C@@H](Cc1ccccc1)c1ccccc1 104049603 ORRVNBBORUQXSH-IKVSSSITSA-N 482.455 5.756 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(OC)c1 107576734 VABVIUZOJWUCPZ-FJEPWZHXSA-N 492.934 5.992 50 40 JKGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1Cl 107774867 WOWMOBQMECOAIT-CPNJWEJPSA-N 475.932 5.220 50 40 JKGB CCOc1cc(COc2ccc(/C=N\NC(=O)Cc3ccccc3)cc2)ccc1OCc1ccccc1 408539011 DLEUNISZUAANAE-QXPFVDMISA-N 494.591 5.936 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(I)c3)c2C)c1 408745513 NCSCFYIDQYEZSR-UNOMPAQXSA-N 481.337 5.553 50 40 JKGB COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@H](OC)c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 408751368 IGPKQQMDXJQILW-AENOHCEBSA-N 481.596 5.750 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1)Nc1cc(Cl)ccc1Cl 408752104 FWNYCXCOIOVDQZ-WKULSOCRSA-N 492.362 5.928 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 408794788 KAOPDVXMRICOPA-CIAFOILYSA-N 465.380 6.989 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)C(=O)Nc1cccc(Cl)c1 408796530 OMHQFPIATHWSFJ-SFQUDFHCSA-N 466.324 5.557 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 408819853 UMLKHXQJUYHUMB-OCKHKDLRSA-N 485.342 5.943 50 40 JKGB COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1 408848371 VZSANNQGYHLFAF-OCSSWDANSA-N 492.604 6.788 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408855592 GSCHQPLBJDKGRI-KKMKTNMSSA-N 461.776 6.607 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCc1ccc(Cl)cc1Cl 408892224 YCAAZPKAWKSZGU-BRJLIKDPSA-N 474.300 5.253 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c1C 408983073 KCVJOLXDNLTPHI-WQRHYEAKSA-N 464.909 5.518 50 40 JKGB N#C/C(=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1 409088795 YGPDVQNVPYTHHT-XNTDXEJSSA-N 498.373 5.860 50 40 JKGB Cc1cc(C)nc(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(Cl)cc2Cl)n1 409118452 QGFACCQLEXTUKR-RMORIDSASA-N 476.345 5.224 50 40 JKGB Cc1cc(/C=N\NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(-c2ccccc2)cc1 409210496 KMYBHGMCVYUMKM-RHANQZHGSA-N 474.029 6.657 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 409248205 GUHSBSVGRXZZDP-JYRVWZFOSA-N 495.682 6.927 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)ccc1OC 409316559 ZMBLSXVIZUZULI-MIXAMLLLSA-N 454.526 5.590 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3F)o2)cc1 867486 UJVMSTBFOSPXNF-LFIBNONCSA-N 483.293 5.571 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@H]1c1ccccc1Br 985556 GQPRTDOTJBPEJM-HNNXBMFYSA-N 462.134 5.364 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(F)cc3)C2=O)cc1 1790111 PYDANSOGYKCDRV-YMGIJWJESA-N 491.975 5.853 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(F)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 2343777 SEVUFBHNSMBOIG-GPSDDGMOSA-N 491.975 5.853 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OCc1ccc(F)cc1 3231368 OKDKJGNRTRYENN-OEAKJJBVSA-N 458.533 6.274 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccn2c1C(=O)c1ccc(F)cc1 3256603 XGEDTPZXDHMALD-QZMYASAMSA-N 451.501 5.402 50 40 JKGB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C(=O)[C@H](Br)[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 4293061 ZELACZPTWWTTFT-PDMJEMFASA-N 467.488 6.177 50 40 JKGB O=C(CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1)N/N=C/c1cccs1 8781259 XEIKGTPDALDMPR-YDZHTSKRSA-N 498.431 5.001 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 9310795 YXXUNGYPNMKTQD-PDGQHHTCSA-N 488.456 5.412 50 40 JKGB N#C/C(=C\Nc1cccc(Br)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 9331137 VMYKAOKXHGJJQD-FMIVXFBMSA-N 451.176 6.856 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 12406520 OOZBJSZGBYYKAE-CVKSISIWSA-N 486.440 5.221 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1C#N 14152092 RZBWJZXOQHSXDW-CIAFOILYSA-N 494.576 5.504 50 40 JKGB Cn1ccnc1Sc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] 14360706 LEJSFNYDWHANEA-XDJHFCHBSA-N 497.536 5.817 50 40 JKGB CCCCCCOc1ccc(/C=C(C#N)/C(O)=N/c2nnc(C(CC)CC)s2)cc1OC 27563885 VZBSMPKIBCKLSP-XMHGGMMESA-N 456.612 6.605 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(OCc2ccccc2)cc1 33405027 MZLRPEKXJCABKH-ULJHMMPZSA-N 463.537 5.924 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(C(C)C)cc1 33850507 HCOITEQFZMOFQM-VULFUBBASA-N 460.559 6.104 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccccc1Cl 59536608 QJYUKBBZYAYPLE-UDWIEESQSA-N 481.379 6.825 50 40 JKGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Cl 408553083 WZDRNFLANLNEHL-RIYZIHGNSA-N 456.354 5.363 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Br)cc1 408579196 DOEPAAQODCEUOA-VCHYOVAHSA-N 489.196 7.408 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3C)cc2-c2ccc3ccccc3c2)c1 408723980 BPMMMFMFHLRWGT-UXHLAJHPSA-N 489.535 5.981 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 408726146 QAZFEIHTDIYJRK-STZFKDTASA-N 457.486 5.427 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc2ccccc2c1 408764653 VBSRXRDDMZGIET-XKZIYDEJSA-N 470.370 6.556 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cccc2ccccc12 408793091 NGPBTEIUFNQNMQ-OEAKJJBVSA-N 482.967 6.935 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2Cl)cc1 408793898 QUODKPHZGDRWGT-DJKKODMXSA-N 485.798 7.388 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 408794555 IYCIFXPCZPMKSC-DEDYPNTBSA-N 495.362 6.295 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 408802225 XTFKAVNZSWPBMD-OQKWZONESA-N 466.512 6.502 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1c(C)ccc2ccccc12 408804699 GSHBELALQQDMBC-OEAKJJBVSA-N 496.994 7.243 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2C#N)c2ccccc12 408812629 PEIRRBZFJUCUEM-UDWIEESQSA-N 466.928 5.769 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccccc1 408818829 PCZPPASSTVAUPG-MHIQDMOBSA-N 466.968 6.857 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OCC 408826059 BLGJGPKLCFXSJB-HYARGMPZSA-N 490.987 6.571 50 40 JKGB CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1 408839456 SNIOYCBUDOZKRE-JVWAILMASA-N 456.571 6.025 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408853160 YVXOVBFEXGSSNT-WSDLNYQXSA-N 465.380 6.413 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(Br)c2)c1 408866201 GEZAATSBSDQZTB-CIAFOILYSA-N 463.350 6.342 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1c(Cl)cccc1Cl 408890039 MXWFGJCUJCAGTL-DTQAZKPQSA-N 473.337 5.307 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)cc2)c1 408893991 HVNCFJSGFZNSTB-KGENOOAVSA-N 461.359 6.191 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)c2C)c1 408942893 RXCGVIXAIURNEE-UXHLAJHPSA-N 480.568 5.070 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccc(Cl)cc1 408960789 IYXQXJMHHVZPLP-MZJWZYIUSA-N 493.903 5.736 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccc(C)cc1 409185451 ZBXZAMCMQGBNOZ-LGJNPRDNSA-N 471.326 5.248 50 40 JKGB Cc1cccc(C(=O)Nc2cccc(C(=O)NN=Cc3ccccc3OC(=O)c3cccc(C)c3)c2)c1 409223616 IXHQLWYEFYQYNL-UHFFFAOYSA-N 491.547 5.539 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1cccc(F)c1 409246907 KWVKZMZFWWRMEC-UCQKPKSFSA-N 492.978 6.113 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 409260400 PVTDIHKXRIOVIA-UYRXBGFRSA-N 475.932 5.220 50 40 JKGB C=CCOc1ccc(Br)cc1/C=C(/C#N)c1ccc(I)cc1 409368147 UFIVJWYWRJWZBS-GDNBJRDFSA-N 466.116 5.683 50 40 JKGB O=C(CBr)c1ccc(-c2ccc(-c3ccc(C(=O)CBr)cc3)cc2)cc1 670430607 CAUOGHKKHRADCH-UHFFFAOYSA-N 472.176 6.176 50 40 JKGB COc1cc(OC)c(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1Br 694397 WPOSXYLCQQREFT-WYMPLXKRSA-N 453.292 5.130 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccc(F)cc1 2078425 JORKDCKOQYRUEP-RDRPBHBLSA-N 457.505 5.358 50 40 JKGB C=CCOc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OC 2162199 GZVZQYQMGHECEM-UVHMKAGCSA-N 490.507 5.172 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(F)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 2870513 GZDJJFKCOQBFLH-RGVLZGJSSA-N 451.881 6.219 50 40 JKGB N#CC(C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1)=C1Nc2ccccc2N1 3314356 XGFOLVOUSQJAPV-UHFFFAOYSA-N 476.631 5.370 50 40 JKGB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN=C2c3ccccc3-c3ccccc32)cc1 6146262 IYYCZQIXYLLBTJ-UHFFFAOYSA-N 497.576 5.049 50 40 JKGB CC(C)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3)=C2C#N)cc1 6190877 XIODLOAGIFQXOG-IBGZPJMESA-N 484.419 5.283 50 40 JKGB CCCCCCC(O)(CCCCCC)C(=O)NN(C(=O)[C@@H](C)Br)c1ccccc1 9348728 ZBBHJIDCHJKLRH-LJQANCHMSA-N 469.464 5.506 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C#N)C(n1cccc1)=C(C#N)[C@H]2c1ccc2c(c1)OCO2 12402349 ABDPEFBRGDCTDF-HHHXNRCGSA-N 488.547 5.728 50 40 JKGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccc(C)cc2)cc1 19956821 YVUNXTPRSGZNLN-WPWMEQJKSA-N 495.670 5.186 50 40 JKGB CCCCCCCOc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(F)cc2)cc1 100035318 AZFUFQRABUYIKO-TWKHWXDSSA-N 475.564 6.191 50 40 JKGB CC1(C)CC[C@@]23C=C[C@@]4(OO2)[C@@](C)(CC[C@@H]2[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 100060037 FMQSPIDOGLAJKQ-BLZAXGAYSA-N 458.683 5.813 50 40 JKGB biogenic CC1(C)CC2=NC(SCC(=O)Nc3ccc(F)cc3)=C(C#N)[C@H](c3ccc(Cl)cc3)C2=C(O)C1 102587455 VCUATMNCXLKJDZ-QHCPKHFHSA-N 496.007 6.756 50 40 JKGB CC/C(=C(/CC)c1ccc(OC(=O)NCCCl)cc1)c1ccc(OC(=O)NCCCl)cc1 104134337 KCYDIDUYBZHDGE-QURGRASLSA-N 479.404 6.072 50 40 JKGB CS/C=C(/N=C(/O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 106206192 YIWJRKOZCJNGKP-QYQHSDTDSA-O 454.555 6.147 50 40 JKGB COc1ccc(N2Cc3ccc(C(=O)N/N=C\c4c5ccccc5cc5ccccc45)cc3C2)cc1 408734355 YDPSAANVDLNXOJ-CAQPMQTCSA-N 471.560 6.286 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(-n4c(C)ccc4C)c3)c2C)cc1 408744555 YMSCSKVAVLHSCJ-STBIYBPSSA-N 468.557 5.052 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc2c(c1)OCO2 408745397 RKZADLJQUQQZQP-OCKHKDLRSA-N 476.916 5.510 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OS(=O)(=O)c1ccc(C)cc1 408748543 DUPGRJMQQOMPJV-MTDXEUNCSA-N 488.565 5.079 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2C#N)c1C 408794019 HNLQAQGVOYREIP-WSDLNYQXSA-N 486.369 6.062 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408795956 NSWPUKFGSHIQID-FYJGNVAPSA-N 457.486 5.345 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 408796157 XERGLFMQFAEDTF-XQNSMLJCSA-N 463.537 5.720 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(C(=O)O)c1 408857952 OAGQYXXICABKPX-NVMNQCDNSA-N 497.334 5.825 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cc1cc(C)cc(C)c1 408867023 IWVSAAURGYTXRP-YDZHTSKRSA-N 478.514 6.857 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1Cc1cccc(F)c1 408875123 FZPILYOSJHKVKW-CAOOACKPSA-N 499.767 6.387 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1OCc1cccc(Cl)c1 408889048 BBTRNZZAODHQKC-QGOAFFKASA-N 497.776 6.236 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1cccc(OC)c1OCc1cccc2ccccc12 408895512 KYHJAQAXDAGJGR-STBIYBPSSA-N 454.526 5.508 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2cc(C)cc(C)c2)c(OC)c1 408897137 WAHKNFFFYAWKKQ-YDZHTSKRSA-N 474.988 6.653 50 40 JKGB Cc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2)cc1 408899227 ZZPWLEACHZZVQB-WOJGMQOQSA-N 461.861 5.322 50 40 JKGB Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2cccc(C)c2)cc1 408997173 LMGULKBRROTJLN-ZCTHSVRISA-N 491.547 5.539 50 40 JKGB N#C/C(=C\c1cc(Br)cc(Br)c1OCc1ccccc1F)c1ccccc1 409048807 UCXYEZACGCCFOU-VCHYOVAHSA-N 487.166 6.994 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccccc2)c(Br)cc1OCc1cccc2ccccc12 409092224 UCDPHNGFHRKHJG-NTFVMDSBSA-N 489.369 5.954 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)NC1CCCC1 409191465 IEYNAJXYUJEKQK-UYRXBGFRSA-N 465.380 6.691 50 40 JKGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)c(Cl)c3)=C2C#N)cc1Cl 409316316 MDFATWYFIUDYPI-CYBMUJFWSA-N 496.803 5.366 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)ccc1OCc1ccccc1Cl 409358548 LTZCETNCCIXPAM-CCVNUDIWSA-N 455.917 5.019 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1ccc(Br)cc1)C(c1ccccc1)c1ccccc1 409391061 HHOWRILTQPJJTE-FSGOGVSDSA-N 499.408 6.310 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(OCc5ccccc5C#N)cc4)c3C)[nH]c2c1 409391644 KJWLNSZSLSCJKR-MYYYXRDXSA-N 499.574 6.494 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 935051 BKRQFMLNSMUTDP-FYAMCCBRSA-N 488.012 6.022 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccc(F)cc2)cc1 935091 DFIGKHHWVHIIPP-YDYXIROLSA-N 491.975 5.853 50 40 JKGB Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 1887961 SJXCSUOVXKLHCW-NLTRVXJZSA-N 453.567 5.368 50 40 JKGB Cc1sc(-n2c(C)cc(/C=N/NC(=O)Cc3cccc(C(F)(F)F)c3)c2C)c(C#N)c1C 2301715 RMEHPVOKWVNHTF-KVSWJAHQSA-N 458.509 5.356 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)NC[C@@H]1CCCO1 4090709 VKVLUHUEMZZPIV-XGHXRCDJSA-N 454.357 5.199 50 40 JKGB CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(CCCC3=O)N2)cc1 4761100 YIFWQHGMEMTZBQ-XMMPIXPASA-N 461.587 5.423 50 40 JKGB C/C(CC(=O)Nc1ccccc1-c1ccccc1)=N\NC(=O)COc1ccc(C)cc1Br 8670506 MIQXUIJQLPUZKM-MTDXEUNCSA-N 494.389 5.324 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(Br)c(Br)c1O 9187071 ADTDRMLVNRRCHU-YRNVUSSQSA-N 463.129 5.256 50 40 JKGB Cc1ccccc1N/C=C(/C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 16671800 FYHSZIZWPCTHRI-PTNGSMBKSA-N 464.344 5.964 50 40 JKGB CCOC(=O)c1csc(N(NC(=O)Nc2ccc(Cl)cc2)C(=O)Nc2ccc(Cl)cc2)n1 16956812 NHQBVLIDZPTZIQ-UHFFFAOYSA-N 494.360 5.402 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 33649515 YYUKJJRTDJTHSZ-PDGQHHTCSA-N 480.351 5.865 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(Cl)c1 59117326 PTCQPYSBLONHAF-LICLKQGHSA-N 487.770 6.780 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 96300403 LQFAHLGDRYFVMX-XNTDXEJSSA-N 458.370 6.451 50 40 JKGB CCCCCCCC[C@H](Br)[C@H](Br)CCCCCCCC(=O)OC 100051939 QNMTXFWVHQDSNR-ZWKOTPCHSA-N 456.303 7.168 50 40 JKGB O=C(OCCCCCl)[C@@H]1CC[C@H]2[C@@H](C1)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 100929344 QNGXUOGPVMCDDM-NEVCATMESA-N 489.481 6.427 50 40 JKGB CC(C)N1C(=O)/C(=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c2ccccc21 102978906 HPKYOCWTDADMBW-SLEBQGDGSA-N 463.990 5.521 50 40 JKGB CCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)F 103528555 BJUKZLXUTWDFBN-KRWDZBQOSA-N 484.375 8.859 50 40 JKGB CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(OCC)c(OC)c1 104164740 OACNROKOHBGADH-RMLRFSFXSA-N 460.703 7.806 50 40 JKGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 108904714 HPUHNRHACMSTAG-KCSSXMTESA-N 485.543 5.683 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1 252492766 MVQQXQROEFZALU-GXDHUFHOSA-N 452.264 5.471 50 40 JKGB N#C/C(=C\c1cc(Br)cc(Br)c1OCC(=O)O)c1ccc(Cl)cc1 408579189 DKHLKZITFPPJHH-LFYBBSHMSA-N 471.532 5.393 50 40 JKGB O=C(N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccc(N2CCCC2)cc1 408676071 DNCOKOGPBHTNAG-UZWMFBFFSA-N 472.592 6.207 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1cccc(C)c1 408802014 XWFKQNSJSGXUGN-HYARGMPZSA-N 460.961 6.480 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccn2)c(Br)cc1OCc1ccc(Cl)cc1 408846469 NNFUOHJMZRJMMI-LGJNPRDNSA-N 488.769 5.239 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408852191 JIFPQUGZLVFJFS-RQZCQDPDSA-N 481.867 5.521 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)c(OC)c1 408878854 CPEKLRXXNUIOLU-OEAKJJBVSA-N 465.553 5.239 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1Cc1ccccc1Cl 408885030 WSRUYSRAHLKBFB-RQZCQDPDSA-N 471.771 6.792 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1 408897714 ZMKBLWSLRGXJOV-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)ccc1Br 408905272 WKSFAUPJKXPROB-CFRMEGHHSA-N 483.322 5.400 50 40 JKGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1ccc(Br)cc1 408908505 ACNBJAQFMWWZMP-MZJWZYIUSA-N 497.389 5.183 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)c(C)c1 408913857 UNVBICNEGZLQKJ-FDAWAROLSA-N 471.576 5.927 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1 409017900 GIMOFEMNYBSDDY-UXHLAJHPSA-N 480.568 5.184 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Br)cc1 409084349 WZFMLTDMVRRLFG-LDADJPATSA-N 499.342 5.498 50 40 JKGB Cc1cccc(C(=O)N[C@H](C(=O)N/N=C\c2ccc(-c3ccc(C)cc3Br)o2)C(C)C)c1 409151559 HEANGBQDRGZMMA-NIHGUFKWSA-N 496.405 5.231 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cn(CC(=O)Nc4ccc(C)cc4)c4ccccc34)cc2c1 409186378 BDUHZANSOBCPQG-UHBFCERESA-N 494.551 5.497 50 40 JKGB Cc1cccc(Cn2cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@@H](N)[C@H]3C#N)c3ccccc32)c1 409336489 OHAXZMWOTTZBRS-ZHEKKPMHSA-N 456.553 5.206 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Br)c1OCc1ccc(Cl)cc1 409369041 YTRCLNOHPXTQKW-LICLKQGHSA-N 475.770 5.219 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)c1 8811101 GQNKPBHAOSVIHN-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Br)c3)CC(=O)N2)cc1Cl 9013987 GLXSOSQFMGMGBK-MRXNPFEDSA-N 490.810 5.122 50 40 JKGB N#C/C(=C\Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 9046801 CSWKVVJEKGBOBG-NBVRZTHBSA-N 486.940 6.579 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 9065080 KPEKEHNQPMBTEL-QHCPKHFHSA-N 465.018 6.347 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1ccc(Cl)cc1 9076060 JBZVAZBHDFGSFP-IMRQLAEWSA-N 482.053 6.045 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(Br)cc3)o2)cc1Br 9203104 HZJDFTQYMFZWKS-FSJBWODESA-N 476.168 5.473 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OC(C)C 9204778 ZJRGFQZQYLIGBI-FSJBWODESA-N 498.215 5.090 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 12418888 HZFAWMWKBZHXRK-ZDLGFXPLSA-N 497.334 5.825 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OC(=O)c1cccc2ccccc12 12585660 CFUIBPWYQNVYSG-HMMYKYKNSA-N 466.468 5.752 50 40 JKGB CCOc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)CCl)[C@H]3c2ccc(OCC)cc2)cc1 13305152 KOZISSCPCOFRQW-XQUCMTEHSA-N 452.982 5.846 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3c(C)n(Cc4ccc(Cl)cc4Cl)c4ccccc34)[nH]c2c1 34869065 SWEMYEDCSQVKJZ-UNOMPAQXSA-N 471.391 7.554 50 40 JKGB C/C(=N\NC(=O)CSCc1ccc(C)cc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 58916749 MZYKQGFEKMBAMT-UQQAFFGVSA-N 481.665 6.595 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCc1ccccc1Cl 59116912 DMHITHFHDACHOZ-LDADJPATSA-N 453.325 6.127 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)c1C 59201427 HAKNPJKYUJVXQZ-UDWIEESQSA-N 495.804 6.844 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 59296888 WLVMKTXPGOEYKL-DEDYPNTBSA-N 451.353 6.680 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(C)c1 59336034 PGICKEYFXJIPTN-UNOMPAQXSA-N 467.352 6.435 50 40 JKGB COc1ccc2[nH]c3c(c2c1)CCn1c-3nc2sc3c(c2/c1=N\P(=O)(Cl)Cl)CCCC3 101276093 FMZDZSXCICPLOL-LGUFXXKBSA-N 493.356 6.176 50 40 JKGB N#CC(C#N)=C1C=C2C=C(N3CCN(C4=CC5=CC(=C(C#N)C#N)CC[C@@H]5CC4)CC3)CC[C@@H]2CC1 101836225 UTPOJIRZARNFTF-SZPZYZBQSA-N 474.612 5.320 50 40 JKGB Cc1cc(C)c(/N=C(\O)CSC2=C(C#N)[C@H](c3ccc(C)o3)C3=C(O)CCCC3=N2)c(C)c1 103698444 VONMTJQDPKAWNW-HSZRJFAPSA-N 461.587 6.804 50 40 JKGB Cc1c(OCC(F)(F)F)ccnc1CSc1nc2ccc(O[Si](C)(C)C(C)(C)C)cc2[nH]1 198043910 XSUQJEQHDCQXRR-UHFFFAOYSA-N 483.632 6.884 50 40 JKGB in-vitro COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408548048 CJMXKCXTLKAEIK-FMCGGJTJSA-N 470.912 7.053 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 408726869 WBJWVIGGYNPZME-HMAPJEAMSA-N 471.513 5.735 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1cccc2ccccc12 408735770 XHHNTTBDMLXJKC-HZHRSRAPSA-N 482.967 6.935 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)c1 408746628 UHSKYPAUYWPZRB-JAIQZWGSSA-N 481.379 6.825 50 40 JKGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC 408794884 KGQVURNPCYUMKS-WOJGMQOQSA-N 455.352 5.575 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)cc1 408798676 WPMZXGDUSFXJEL-LPYMAVHISA-N 460.961 6.344 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(Cl)cc1 408813283 PAZCKOBVRAFPKZ-MUXKCCDJSA-N 483.351 6.481 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)c1 408819012 ZLVRMRGXRRHOFL-XQNSMLJCSA-N 477.520 6.490 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1c(Cl)cccc1Cl 408882056 PUZMTWQQIRPDIQ-NTCAYCPXSA-N 482.279 5.666 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc2ccccc12 408884967 WIOANXKLRSILLZ-HZHRSRAPSA-N 463.493 6.181 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 408962410 RNUSEGUYFXDXTF-LQKURTRISA-N 465.465 5.837 50 40 JKGB Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc2ncccc2c1 408967506 SVSKTIJLRMJNCI-UZWMFBFFSA-N 474.564 5.029 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 409245294 QNIGFIMVYTZSEO-IWIPYMOSSA-N 474.988 5.892 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cccn3-c3ccc(I)cc3)[nH]c2c1 409391595 JYMFQAXMHWLSRP-KAMYIIQDSA-N 466.282 5.031 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c(C)n1-c1ccc(Br)cc1 409392766 RSIAISAGZAGDSJ-RWPZCVJISA-N 475.390 5.572 50 40 JKGB CCOc1ccc(C2=C(/C=N/NC(=O)c3ccncc3)[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1 2295367 KZFPXKYRTNSREV-BZCOGROQSA-N 493.538 5.971 50 40 JKGB COc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2335280 QOVLCFUCSQMTIO-HFVAWESISA-N 497.620 5.685 50 40 JKGB Cc1c(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc2n1Cc1ccccc1 8781236 FENDAYMWBARTJF-JVWAILMASA-N 460.375 5.453 50 40 JKGB COc1ccc2nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)c(Cl)c3)[nH]c2c1 9263526 DFMSPRIZXVFFFR-WOJGMQOQSA-N 472.932 5.615 50 40 JKGB C/C(=N\NC(=O)c1ccc(N/N=C(\C)c2cc3ccccc3o2)cc1)c1cc2ccccc2o1 12496768 UIXLAGOKACDFQR-POAOKBCDSA-N 450.498 6.169 50 40 JKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2ccc3c(c2)OCO3)cc1OC 12952706 AJBMEQYGVLJXDO-NDENLUEZSA-N 451.482 5.349 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccccc2Br)o1 13063631 YIXAPBDLTBSJLJ-KBKYJPHKSA-N 466.257 5.290 50 40 JKGB CC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)c2nc3ccccc3s2)cc1 15227527 ZAVPFEBFEPJHFB-NBVRZTHBSA-N 475.551 5.087 50 40 JKGB C/C(=N\NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccc([N+](=O)[O-])cc1 15911645 LHAXNHAQUSXWMJ-MFKUBSTISA-N 462.556 5.651 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 20240433 XBTZQLHHQPRJBG-STBIYBPSSA-N 481.427 5.075 50 40 JKGB Cc1ccc([C@@H]2CC(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)=NN2C(=O)CCl)cc1 23055276 HSYCKYMZJLSDAG-QHCPKHFHSA-N 490.390 6.073 50 40 JKGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\c2ccc(OC(=O)c3ccc4c(c3)OCO4)cc2)cc1 30738546 JJDFFVSWPGTKHO-CCFRHWNESA-N 484.552 5.186 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=N\NC(=O)c3ccc(-n4cccc4)cc3)c3ccccc32)c1 33795508 SMNJGBXNHNPCEZ-YKQZZPSBSA-N 476.536 5.031 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 59336354 DBSSERYNEDBCNM-DHDCSXOGSA-N 489.746 6.508 50 40 JKGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 59336462 ZWGNSNJMOPUIGI-JYRVWZFOSA-N 484.177 6.099 50 40 JKGB O=C(N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(F)(F)C(F)(F)C(F)(F)F 100304298 SLVLGQKMPGOVMA-FEDGQQDLSA-N 450.232 5.248 50 40 JKGB CCCCCOc1ccccc1CN1C(=O)/C(=N/NC(=O)COc2cccc(C)c2)c2ccccc21 103041309 WOYHYUUHIDTSGV-CCFHIKDMSA-N 485.584 5.010 50 40 JKGB CCN1c2cc(C)c(/C=N\NC(=O)COc3cccc(Br)c3)cc2[C@@H](C)CC1(C)C 223575834 CWGLGZGCIHARPU-VHQYDUIRSA-N 472.427 5.399 50 40 JKGB Cc1cc2c(cc1/C=N\NC(=O)Cc1cccc(C(F)(F)F)c1)[C@@H](C)CC(C)(C)N2C(C)C 223596471 VWUFGFNFVIJGDI-QKLWLHCCSA-N 459.556 6.207 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1Cl 408724714 GYQPKPPXMJQPHY-KKMKTNMSSA-N 487.339 5.464 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408743048 DFZWDPITUGKBQH-JAIQZWGSSA-N 476.916 5.480 50 40 JKGB Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c3ccccc32)c1 408766036 YTJJQWFXPDJAJW-MOSHPQCFSA-N 470.370 6.306 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)c(C)c1 408788075 ATVXHDLWIDAUGJ-YZSQISJMSA-N 455.561 7.005 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 408797632 GUAQEVCPRFAURA-LUJYGJGBSA-N 488.418 7.089 50 40 JKGB Cc1cccc(Cn2c(C)c(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)c3ccccc32)c1 408806105 ASIQIABEQGXOSA-HYARGMPZSA-N 453.973 6.814 50 40 JKGB COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2C)c1 408817980 XJRFCGGEUHWWFP-WQRHYEAKSA-N 451.885 5.219 50 40 JKGB O=C(N/N=C\c1cc(Br)ccc1OCc1cccc(F)c1)c1cc2ccccc2o1 408855916 OSXBGFBOBLZBTL-ZMFRSBBQSA-N 467.294 5.677 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 408867804 NVRMENYPOHVCIT-LICLKQGHSA-N 476.190 7.437 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1c(Cl)cccc1Cl 408894422 HYVPPTIKNUENRJ-LFIBNONCSA-N 471.727 6.412 50 40 JKGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccccc1OC(=O)c1cccc2ccccc12 408895027 LNOZVBQTUCQDQQ-LQKURTRISA-N 458.901 5.242 50 40 JKGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)o2)cc1Cl 408904743 NXNGXENBAMYGQO-MYKKPKGFSA-N 490.741 5.613 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1Cl 408962680 JEYBGAVVFLFDPD-XKJRVUDJSA-N 497.300 6.364 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1F 408983242 GOWWGZDWZOMNCK-YBFXNURJSA-N 450.897 5.921 50 40 JKGB N#C/C(=C\c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)c1ccccc1 409076468 APSNDRUTOXYKQF-OVCLIPMQSA-N 456.241 6.666 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 409230579 ZPMJXLQFIZGCTR-CAQPMQTCSA-N 480.543 5.377 50 40 JKGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)C(=O)NCCCc1ccccc1 409231149 IGKNYEOBWPZKFM-WJDWOHSUSA-N 470.312 5.818 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc2ccccc2c1 409242621 XEWHVVJYQLVFPZ-LBRHQESJSA-N 462.549 6.212 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3cccc4ccccc34)c2)cc1OC 409319452 GIPMLZUEAOHPNU-MIXAMLLLSA-N 454.526 5.590 50 40 JKGB Cc1ccc(Cn2cc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)c3ccccc32)cc1 409391267 IRSVTVCGLMXGST-UZWMFBFFSA-N 457.577 6.280 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 409391758 LCTPIENGQCIPRI-MTJSOVHGSA-N 496.523 5.860 50 40 JKGB COC(=O)[C@@H](C)c1ccc([C@H](Br)CC(C)(C)C)c(-c2ccc(C(F)(F)F)cc2)c1 575362710 OSHXFLPIIDVOTF-VBKZILBWSA-N 471.357 7.521 50 40 JKGB Cc1cc(C)c([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(Cl)cc1C 650682 FCYUMVYYYLEQEL-YIXXDRMTSA-N 483.015 6.438 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 1906182 JCRKXOZOUWRCNU-MHWRWJLKSA-N 458.370 5.985 50 40 JKGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 1915691 MCHNXAJZIVKPIX-LPYMAVHISA-N 453.947 5.574 50 40 JKGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccc(C(C)C)cc1 2310794 OATFRVKDUYMCGM-PKTZIBPZSA-N 477.586 5.068 50 40 JKGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 3109511 XUYRJISRGFCWGH-CVKSISIWSA-N 459.398 6.205 50 40 JKGB O=C(NNC(=O)c1cc(-c2cccs2)nc2ccccc12)Nc1cccc(C(F)(F)F)c1 3242239 NBMLYAGXDLAICP-UHFFFAOYSA-N 456.449 5.449 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCc1ccccc1 9200740 NJCANRPXWVHGFW-AFUMVMLFSA-N 453.336 5.109 50 40 JKGB COc1cccc(/C(C)=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)c1 12466727 QLTIQIPTWDBAKP-LPYMAVHISA-N 479.052 5.125 50 40 JKGB CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1C 13109851 OXBFFTAFZGJIJV-YBFXNURJSA-N 483.490 6.024 50 40 JKGB Cc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)o1 13940071 BZEXZDAMPSURBV-ROTLSHHCSA-N 486.384 5.385 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)c1 16735995 BTQBJCALDQXCOE-LVZFUZTISA-N 478.552 5.638 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2cc(Cl)ccc2C)cc1 20206974 CVZLWQDEDJHGTC-UHFFFAOYSA-N 476.042 5.369 50 40 JKGB CN1/C(=C/C=N/NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)C(C)(C)c2ccccc21 33682231 XJJMHVXNAMEFIH-NLZFLSSWSA-N 481.625 5.882 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC(=O)O 59336443 LSIRIEWDQWHTDP-SDQBBNPISA-N 469.708 5.055 50 40 JKGB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@H](Br)C2=O 100834645 NGZWVRXNRXLQKS-CTUHWIOQSA-N 488.809 5.668 50 40 JKGB N#C/C(=C/Nc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2ccc(Br)cc2)cs1 100843750 SKGGQZBCUVBPCE-XFXZXTDPSA-N 484.728 7.221 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccccc3)Nc3ccc(Cl)cc3[C@@H]2[C@@H]1Cl 101147904 XZHNHHBEPYCAEN-FPVDIDMMSA-N 471.409 7.287 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)c1cccc([N+](=O)[O-])c1 107709883 QBVRZOVSEBNYIH-UWVJOHFNSA-N 494.732 6.526 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccccc1F 408676057 DEFVZHRJGSAGII-MUFRIFMGSA-N 481.955 5.431 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c1O 408740348 FRXLBSJTFKTHKJ-RUMWWMSVSA-N 487.559 6.289 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)o1 408745625 UKLIFJJFWUHIJO-RAXLEYEMSA-N 468.263 5.172 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 408787589 CEZIEVDIWPKMMV-UDWIEESQSA-N 451.353 6.735 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)c1C 408797757 SVJFGMJQPRRAJO-VXLYETTFSA-N 485.798 7.388 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1cccc2ccccc12 408799808 LKLRTBKGVXYXCE-LUOGIXEYSA-N 454.570 6.029 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 408816685 MAMHWOWZJWRKPV-LUOAPIJWSA-N 498.193 6.408 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(Br)c2)c1 408879554 BTCOIHARHMKPQC-CIAFOILYSA-N 463.350 6.342 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccccc1OC(=O)c1cccc2ccccc12 408885928 GZNAJOOYQBWEOF-HMMYKYKNSA-N 493.475 5.521 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1OCc1ccc(Cl)cc1 408890714 YAWLRWGGEZQBLF-LDADJPATSA-N 462.889 5.171 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 408927122 ZRQZQFROUVOKCL-RCCKNPSSSA-N 482.923 6.316 50 40 JKGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(C#N)cc3F)cc2Br)cc1 408965002 FIDUXPARDLOPRJ-UVHMKAGCSA-N 466.310 5.111 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1cc(OC)ccc1OC 408986000 OICLUFWFQPEEPQ-XDHOZWIPSA-N 492.959 5.881 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(F)cc2)cc1Cl 408988068 GTQNNMPFTFLVEF-ZDLGFXPLSA-N 499.767 6.675 50 40 JKGB Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(C)cc2)cc1 409001067 GJTAHGFZJJJEJA-ZCTHSVRISA-N 491.547 5.539 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 409069581 LQFJTJYJTVKRPH-GZTJUZNOSA-N 487.364 5.615 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1OCc1cccc(F)c1 409070238 NOQQUKOOADUMSF-ZVHZXABRSA-N 470.544 6.304 50 40 JKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(Br)c1 409100955 WCTQJTNAWKAMSV-VBKFSLOCSA-N 469.791 6.799 50 40 JKGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CSCc3c(Cl)cccc3Cl)c2C)c1 409115692 NLJJDKDLYGIDER-KKMKTNMSSA-N 474.457 6.401 50 40 JKGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 409145193 PPOMPXQKVMGMAD-ROCQKPIASA-N 460.430 6.340 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2C(=O)OC(C)C)o1 409190041 VCYDTZBCIICVGV-FOWTUZBSSA-N 464.905 5.719 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(C)cc1 409193778 MIYHUPXPJRLZAC-STBIYBPSSA-N 462.977 6.119 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 409228123 UIYNWMUSKSIXGF-ZDLGFXPLSA-N 483.355 5.082 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 409241579 ORPOOJHYMSSIKJ-DEYGKZMTSA-N 474.988 6.411 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)cc1C 409261936 GBGBCTNJIGGPCR-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(OCC)c2)ccc1OC 409302455 IUAQNCIXJCFEJE-QRQIAZFYSA-N 462.546 5.144 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1cccc(Br)c1 409325302 XVCOQBFDVBRWHY-LGJNPRDNSA-N 466.766 5.869 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409326064 GGNOKUUQRGAIBS-ZHZULCJRSA-N 481.464 6.911 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1OCC 409332809 MVUUGTVBOCCUJP-MWLSYYOVSA-N 499.394 6.300 50 40 JKGB CCCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OCC 409342725 GPZPDYGTBZSQQL-WQRHYEAKSA-N 457.368 5.799 50 40 JKGB N#Cc1cn(CC(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)c2ccccc12 634884 ICDBXWMLSFEGDB-ATZGPIRCSA-N 481.559 5.819 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2342719 GAQVJLPLNWHLTF-GFPZRUSRSA-N 473.985 5.713 50 40 JKGB N#C/C(=C\c1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3)c1ccc(Cl)c(Cl)c1 8782218 HVGDKJKWWSKUGZ-FOWTUZBSSA-N 484.839 7.966 50 40 JKGB Cc1ccccc1C[C@H](C(=O)N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccccc1 8861186 UFSKKMFCSQZXMD-LAVRQYKWSA-N 498.626 7.204 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1cccc(O)c1 9020139 VLNNRFWPBYXGRB-WPWMEQJKSA-N 492.004 5.234 50 40 JKGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cc(Cl)cc(Cl)c1O 9846047 YSMKNQIWKFJAIS-AUEPDCJTSA-N 491.243 5.072 50 40 JKGB Cc1ccc([C@@H]2C(C#N)=C3SCN(c4ccc(C)cc4)CN3CN2c2ccc(C)cc2)cc1 12250570 VUWIUKWAIFFTRA-HHHXNRCGSA-N 452.627 6.336 50 40 JKGB N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)NC2=C(C(=O)CCC2)[C@H]1c1cccs1 13174317 OGMRMFAHZPHGDN-HXUWFJFHSA-N 455.992 5.202 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C/c1cccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c1)c1ccccc1 15910397 DDYBXSYIBASVAM-AWICYRQWSA-N 474.564 5.255 50 40 JKGB CC(C)c1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)NC3=C2C(=O)CCC3)cc1 20347675 VBQSGDWOSRPYJI-VWLOTQADSA-N 457.599 5.611 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1ccccc1F 20470331 DLODCXORPSYLDB-KCSSXMTESA-N 480.587 5.555 50 40 JKGB biogenic,in-vitro CC1CCN(C(=O)[C@@]23CC[C@@](C)(/C(=N/NC(=O)c4ccc(Br)cc4)C2)C3(C)C)CC1 26919503 YGRMXTYHNVJECM-ZLEVUXIHSA-N 474.443 5.010 50 40 JKGB Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)c1 58913486 HWVRVBOFVJFRBC-UXHLAJHPSA-N 480.568 5.592 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccc(C)cc1 59224817 ACNQIALJSBOELM-XQNSMLJCSA-N 462.505 5.922 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 59335051 HGUFIWAJJKKFLL-ODLFYWEKSA-N 467.352 6.435 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)NCCc1c[nH]c2ccccc12 96840541 FBBLWJNEVKMXDK-BOPFTXTBSA-N 459.889 5.045 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@@H](c3ccccc3)Nc3ccc4ccccc4c3[C@@H]2[C@@H]1Cl 101076844 MNJHTWREHWCETR-JDANAKAKSA-N 487.024 7.787 50 40 JKGB N#CC(C#N)=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)C2CC2)N2c3ccccc3C=C[C@H]12 102686456 YCTYCODSHQCPSX-JIBNBMRDSA-N 467.572 6.151 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)c2C)c1 197485066 USUGKEPMSTWCRJ-UUYOSTAYSA-N 463.541 5.279 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408549255 RLGVJGAWDRHLCW-YVNNLAQVSA-N 494.805 8.452 50 40 JKGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3ccc(C(C)(C)C)cc3)o2)ccc1Cl 408569058 YUDZKLXVXVDRDX-JFLMPSFJSA-N 452.938 5.377 50 40 JKGB CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(Cl)c1OCc1ccc(Cl)cc1 408599602 XFZLTMNBPRJYKD-YBFXNURJSA-N 496.419 7.504 50 40 JKGB CC(=O)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl 408759910 NYGKBMCHXRDDPL-KPKJPENVSA-N 454.107 5.227 50 40 JKGB N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Br)cc1 408764628 XXNAFMIQWRDPLS-LGMDPLHJSA-N 481.733 5.867 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2ccccc2Br)cc1 408883102 UAEATXBCQAJFRM-HYARGMPZSA-N 475.386 6.157 50 40 JKGB CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1OC 408886892 JRQCSNQQNHGLGL-RIYZIHGNSA-N 496.732 5.206 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1OC(=O)c1ccc(C)cc1 408889758 GXBIHMNCJIAEAV-DEDYPNTBSA-N 460.917 5.730 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2Br)c1 408893188 FZODKHCXAXJNNB-YDZHTSKRSA-N 489.413 6.807 50 40 JKGB O=C(N/N=C/c1ccccc1OC(=O)c1cccc2ccccc12)c1ccccc1-n1cccc1 408898209 VTGNTSXXKYSQGM-TWKHWXDSSA-N 459.505 5.614 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OCC)c1OCc1ccc(F)cc1 409070538 ZNMBLCLXVGIHSL-LFVJCYFKSA-N 470.544 6.386 50 40 JKGB O=C(/C=C/c1ccccc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cccc2ccccc12 409220176 YYTCKPLZUQHVOA-VJNJYKIVSA-N 465.465 5.131 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccccc1 409234512 LGMDUKMIHJKZEB-OJSPLJLUSA-N 495.804 6.466 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCC(=O)Nc1cccc(Cl)c1 409303751 OIFHWHYKDGEJQH-JCMHNJIXSA-N 482.967 6.974 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccccc4Cl)c(Br)c3)[nH]c2c1 409390486 DGCUGPMKOCSFCU-YVLHZVERSA-N 494.776 6.631 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c1C 409393202 VOOHQHSTKFJDCD-RDRPBHBLSA-N 482.540 5.293 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1cccc(F)c1 409394087 VLIPPTJFLHSYHC-LSCVHKIXSA-N 456.286 6.379 50 40 JKGB CC(C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)cc1 2312342 GLYULGQGTPSOQT-KBKYJPHKSA-N 465.764 6.559 50 40 JKGB Cc1ccccc1C(=O)N/N=C/c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12 9202436 OEAXYASCSOVUQC-WKULSOCRSA-N 463.364 6.798 50 40 JKGB CCc1ccccc1N1CSC2=C(C#N)[C@@H](c3cccc(OCc4ccccc4)c3)CC(=O)N2C1 12251024 HOISBAONZAXOGY-RUZDIDTESA-N 481.621 6.047 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)NC(=O)C[C@@H]1c1ccccc1F 12276866 GVVCFNBIMARTGH-CYBMUJFWSA-N 483.874 5.208 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(C(C)(C)C)cc1 12364143 LWHXNQJMVVSEKA-LQNQUEJISA-N 454.574 5.469 50 40 JKGB COc1cc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)ccc1O 13661419 NKFHOBOXBQRYLL-IMRQLAEWSA-N 493.633 5.105 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2)cc1 13688440 YJFXUTFKXBNLCY-VECHRTTRSA-N 488.012 5.967 50 40 JKGB COc1cc(C=NNC(=O)COc2ccc(C)cc2C)ccc1OCc1c(Cl)cccc1Cl 16285013 ACYYGSZXVJQCJL-UHFFFAOYSA-N 487.383 5.727 50 40 JKGB C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 20158617 ZWUUXPVYMZNNTF-QFDQHJFZSA-N 488.363 5.093 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(C)c1 20194573 NXSYGTKAAGSMLC-IPPBACCNSA-N 464.396 6.306 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)Sc3ccccc3)c2C)c(C)c1 20243740 HPFWUCSJIGEFPI-YMSFFTPVSA-N 484.463 6.104 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1OCc1ccc(F)cc1 32520724 WVCIQWXFJWLDMT-DHRITJCHSA-N 451.548 5.257 50 40 JKGB N#C/C=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 33367592 PKTRBCQYUVNAQS-OWOJBTEDSA-N 461.968 6.634 50 40 JKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 58900831 BVMWVAGYHWMFEO-FDAWAROLSA-N 477.951 6.663 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1cc(Br)ccc1O 59435265 LSKAKTNYOAHERO-OPEKNORGSA-N 494.172 5.804 50 40 JKGB CCOc1cc(/C=N/NC(=O)CCSc2ccccc2)ccc1OCc1ccc(Cl)cc1 59473513 HANKYBRXGDHLBV-WPWMEQJKSA-N 469.006 5.950 50 40 JKGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC 96840687 RHVGNAMZFFAGGO-SXGWCWSVSA-N 473.754 5.367 50 40 JKGB CCCCCCCCCCCCCC(=O)N/N=C\c1c[nH]nc1-c1ccc(OC)c(OC)c1 97965592 VKHNNYGKNIIORU-DIBXZPPDSA-N 456.631 6.245 50 40 JKGB CCOC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccc(Cl)cc2)c(OC)c1 408725548 KBUREWDPDQEGKC-NVNXTCNLSA-N 497.716 5.002 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 408797359 RKRXFSKFQNWLON-GIJQJNRQSA-N 455.316 6.566 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OCc2cccc(Cl)c2)c1 408802042 YGPBKWKYMAKWDI-LDADJPATSA-N 453.325 6.127 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 408802573 YYBNSYSHRRRMSA-LTGZKZEYSA-N 468.940 6.626 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OCc2cccc([N+](=O)[O-])c2)c1 408805456 KDTUGYGUNQIVFY-LICLKQGHSA-N 498.322 6.035 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OC(C)C 408809534 HUCUXUJAAARNMI-LZYBPNLTSA-N 477.786 6.143 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408812596 NMDAEAZGYAPTPP-FRKPEAEDSA-N 491.758 6.051 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1Cl 408822982 DIZOWXSIEXPYLF-CPNJWEJPSA-N 467.352 6.517 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)c1 408839116 NFSPGBJBVUUSEF-VULFUBBASA-N 463.946 5.580 50 40 JKGB Cc1cccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 408847879 VOWSGMZWUASCGV-NDZAJKAJSA-N 477.520 5.230 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2c3ccccc3cc3ccccc23)cc1 408852673 HOOMWXNKLLXPLD-VQNDASPWSA-N 479.583 7.523 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1Cc1cccc(F)c1 408869235 PXSJLSOEAVKOQK-DEDYPNTBSA-N 479.349 6.123 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408879950 HYTNDULCXJDRNA-VCHYOVAHSA-N 496.748 6.147 50 40 JKGB N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)Nc1cccc(I)c1 408892066 AMOCYYBBCLFTMS-QGOAFFKASA-N 474.301 6.143 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cc(Cl)ccc1Cl 408896895 OUECWCFYRPEJQK-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OCc1c(Cl)cccc1Cl 408897635 ZDQOJGDNHFJUDM-LUOAPIJWSA-N 498.193 6.652 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCC(=O)O)c(Br)c1 408984952 UQNGQWDBOPTVBX-XGICHPGQSA-N 484.133 5.073 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Br 409045546 ZCRCLGTYECRITC-RIYZIHGNSA-N 462.097 5.196 50 40 JKGB O=C(N/N=C/c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12)c1cccc(Cl)c1 409062930 DAOQYZNXZSGOJI-LUOAPIJWSA-N 455.276 5.632 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1OCc1ccccc1 409074766 RIKXWGBTTFHWMR-PXLXIMEGSA-N 458.945 6.202 50 40 JKGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 409184446 WXSTZYRBPNPLJW-RWPZCVJISA-N 489.915 5.753 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4)c(OCC)c3)cc2c1 409188372 YQMHOBSIVINDGA-MWLSYYOVSA-N 492.959 6.227 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1C#N 409191988 RTSINQKDVGQYAP-UVHMKAGCSA-N 454.313 5.217 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1C#N)c1ccc([N+](=O)[O-])cc1 409201471 NIDCSRRECNFNDG-JAIQZWGSSA-N 460.287 5.872 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2C)c1 409269549 KEDYXJYVMNPCJU-FYJGNVAPSA-N 473.960 5.828 50 40 JKGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OCC 409327301 RYYUEKZHTIJFAU-RHANQZHGSA-N 492.959 5.102 50 40 JKGB COC(=O)c1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)c3ccccc32)o1 409394308 YKMYPKGUMPYEQF-BOPFTXTBSA-N 473.916 5.577 50 40 JKGB Cc1ccccc1C[C@@H]1S/C(=C(/C#N)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(F)cc2)C1=O 1790101 GTWDTRRZWTWDRP-YDYXIROLSA-N 491.975 5.853 50 40 JKGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 1906047 LMCLPZBQAZAUAR-QGOAFFKASA-N 480.387 5.607 50 40 JKGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OCc1ccccc1Cl 2078362 ILYGQIZWTDTFOH-LGJNPRDNSA-N 459.329 5.110 50 40 JKGB COc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3cccc(Cl)c3)N(c3ccccc3)C2=O)cc1 2332730 ZHWAUOKBOOEUSE-YDYXIROLSA-N 489.984 5.414 50 40 JKGB O=C(NNC(=O)c1cccc(Oc2ccccc2)c1)c1ccc(CSc2ccc(Cl)cc2)cc1 3292899 SKXCOXNSVKOAQD-UHFFFAOYSA-N 488.996 6.499 50 40 JKGB COc1ccc(/C=C/C(=O)Oc2cccc(/C=N/NC(=O)CNc3cccc4ccccc34)c2)cc1 4779757 YYPARWHQKFTRGN-BNNSBRORSA-N 479.536 5.029 50 40 JKGB CN(C)c1ccc(CN(CC[C@@]2(Cc3ccccc3)CCOC(C)(C)C2)C(=O)CCl)cc1 9086460 OWMGKZVTRRYYLD-MHZLTWQESA-N 457.058 5.528 50 40 JKGB C/C(=N\NC(=O)CSc1cc(C)c(Br)cc1C)c1ccc(-c2ccccc2)cc1 12564216 BLQLOCKLQYNLHQ-NLRVBDNBSA-N 467.432 6.365 50 40 JKGB CC(C)(C)c1ccc(Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3F)cc2[N+](=O)[O-])cc1 15978881 DOYDQSRFFRBMJA-NBVRZTHBSA-N 459.477 6.369 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 16268304 DGVSMVCVKCPJAJ-NSKAYECMSA-N 498.197 5.797 50 40 JKGB Cc1ccc(OCCOc2ccc(Cl)cc2/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1 23402363 DDSLHWJTONHAOD-LDADJPATSA-N 458.772 7.477 50 40 JKGB C=CCOc1c(Br)cc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1OC 28217669 RADNVXIRSMZZFD-FOKLQQMPSA-N 483.815 5.059 50 40 JKGB CCn1c(SCC(=O)N/N=C\c2cccc(Oc3ccccc3)c2)nnc1-c1ccc(Cl)cc1 31871111 GUBUEJICNPBDQK-YUMHPJSZSA-N 492.004 5.653 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 35104992 MSEJHTXHKMLGDT-BUVRLJJBSA-N 489.600 6.776 50 40 JKGB COc1cc([C@@H]2C3=C(CC[C@@H](C)C3)C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1ccccc1 36611858 QPBMAFMQQDISBN-WXTAPIANSA-N 450.542 5.258 50 40 JKGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c1 59336340 WLPUSTVLHPGSKJ-ODLFYWEKSA-N 482.367 6.042 50 40 JKGB CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C[C@@H](C)Cl)CC[C@]4(C)[C@H]3CC[C@]12C 70692337 QGDQJFKTMDHPQG-AWMLXEOPSA-N 491.200 9.245 50 40 JKGB biogenic COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 107731060 JOAOBUCIZWJBJD-MFOYZWKCSA-N 481.867 5.478 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 107902287 ITZQQCRHPGIIEP-CXUHLZMHSA-N 492.189 7.382 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccccc1F 108977672 KUKBJXOCRYWWCN-OCSSWDANSA-N 472.516 5.729 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCC 408540815 WBVYNDQWKYUQJS-CJLVFECKSA-N 469.025 7.332 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1nc2ccc(F)cc2[nH]1 408570842 ZEVWXZGJDLADPV-YBEGLDIGSA-N 461.327 7.076 50 40 JKGB O=C(N/N=C/c1ccccc1O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 408729741 CILRWWBWOYDRFX-NJZRLIGZSA-N 457.533 6.281 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1cccc2ccccc12 408743302 FOTJXHGOZOHAOB-UCQKPKSFSA-N 482.967 6.935 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(F)c1 408746679 VJNCKOIWLVFOFK-MFOYZWKCSA-N 471.315 6.266 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1C#N 408792080 HLDZDTXCXZHFHA-DJKKODMXSA-N 478.335 5.998 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1cccc(F)c1 408793331 DYCIKOANXQDOLW-KEBDBYFISA-N 464.924 6.229 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c1C 408794966 JSLKXTDAZNCGAA-DEDYPNTBSA-N 451.353 6.735 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccccc1 408807940 IKEMICHPWSHWFY-LUJYGJGBSA-N 461.359 5.812 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccc(Cl)c(Cl)c1 408886041 HGXCOPGRMJBGKZ-DEDYPNTBSA-N 460.364 7.100 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1cccc2ccccc12 408889327 COPPEGMUQZKBKV-KCSSXMTESA-N 494.978 6.998 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1ccc(Cl)cc1Cl 408892519 CCZRXISSJSIWEO-UVHMKAGCSA-N 473.356 5.662 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 408973337 LRPRVQIQZKUWPF-JPXQZSQPSA-N 487.625 5.056 50 40 JKGB Cc1cc(-n2c(C)cc(/C=N\NC(=O)c3ccc4ccccc4c3)c2C)ccc1Br 408990233 JZXKPJHBAUSNPB-DICXZTSXSA-N 460.375 6.082 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2F)cc1 409058680 SNOZSBYVGLVFFT-WOJGMQOQSA-N 485.342 6.656 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 409068513 RUARPXVEEQZMMQ-LDADJPATSA-N 474.365 6.224 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1 409182946 PELXCKWLIIBUJZ-LQKURTRISA-N 450.966 5.627 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC(=O)Nc4ccccc4)c(Cl)c3)cc2c1 409191029 YWPLCOBPNDBRJU-MBTHVWNTSA-N 491.931 5.266 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 409192210 BJUOMLNVOZXXOL-KQWNVCNZSA-N 457.549 5.778 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1ccc(F)cc1 409195581 WOFBMZTVBBLMNR-YVLHZVERSA-N 473.342 5.142 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)NCCCc1ccccc1 409244931 KRGNDYUMZGFNFP-QJOMJCCJSA-N 453.973 5.999 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Br)c1OCc1ccccc1F 409369299 KDFBXGRDENXQCN-WOJGMQOQSA-N 473.342 5.095 50 40 JKGB N#CC1=C(N)OC2=C(COC/C2=C\c2ccccc2C(F)(F)F)[C@H]1c1ccccc1C(F)(F)F 663776 VHXTZPWSCWJXBK-PCLFDXGNSA-N 478.392 5.900 50 40 JKGB Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)s2)cc1 1453245 JNOVSMVJOFZUDA-BUVRLJJBSA-N 465.578 6.167 50 40 JKGB N#C/C(=C\Nc1cc(Cl)cc(Cl)c1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2277524 RBKDDOVNKYAJFY-NTCAYCPXSA-N 490.371 7.353 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1)c1ccc2ccccc2c1 9375191 LVYMBYKMFIECDU-DXJNIWACSA-N 494.982 6.616 50 40 JKGB CC[C@@H]1CCc2sc(C(=O)N/N=C(\C)c3ccc(OC)c(CSc4ncccn4)c3)cc2C1 13097304 OLJBBEUJGARQEM-TXMABLNQSA-N 480.659 5.508 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)ccc1OCc1cccc(C(F)(F)F)c1 13098911 XRFHLKOIZINXDN-CIAFOILYSA-N 491.469 6.716 50 40 JKGB Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)[C@H](C)Sc3ccccc3)c2C)c1 20243743 BNZLUUGDIGUTAI-FOGHPNEFSA-N 484.463 6.104 50 40 JKGB C/C(=N\NC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12)c1cccc(NC(=O)C(C)(C)C)c1 20357092 LNIXSPQLYOYSAY-KEIPNQJHSA-N 492.623 6.657 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccc(Cl)cc1 32520675 OMAPMPPPPWABFF-MZJWZYIUSA-N 495.988 5.701 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1 59281930 FQBQTSCSWRGLIY-STZFKDTASA-N 461.359 6.136 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1cccc(Cl)c1Cl 59336413 UPLRZZLPEMOQOE-DHZHZOJOSA-N 462.676 6.361 50 40 JKGB COc1ccccc1C(=O)N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 59679100 WCNOFURPPVMSBA-SSDVNMTOSA-N 465.756 5.619 50 40 JKGB FC1(F)C(F)(F)C(F)(F)C(F)(CCCCI)C(F)(F)C1(F)F 95686654 YPCPYZKAISYTCJ-UHFFFAOYSA-N 464.056 5.490 50 40 JKGB C[C@H]1[C@@H](C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1(Br)Br 95749428 PIPWLIJJJNWSQC-PGRDOPGGSA-N 489.211 5.733 50 40 JKGB CC(C)(C)C1=CC(=C(C#N)C#N)C=C(/C=C\c2cc3c4c(c2)C(C)(C)CCN4CCC3(C)C)O1 95913025 HXWWMGJBPGRWRS-HJWRWDBZSA-N 453.630 7.057 50 40 JKGB CC[n+]1ccccc1/C=C/c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 97983524 AZKQSWYZVAAKPN-WNAAXNPUSA-N 485.591 6.974 50 40 JKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1 98001593 RLNBLERBCHUQKP-LGUFXXKBSA-N 459.428 6.733 50 40 JKGB COc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c(OC)c1 108997663 KMRCRMZBTXQCGY-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc21 208463664 HUNRTHAQUPNFJB-ZMFRSBBQSA-N 466.379 5.899 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccc(C(=O)O)cc1 408542229 JZPLRCVJPGJVDU-MOSHPQCFSA-N 481.289 5.633 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1cccc(C#N)c1 408566568 HSFNVKUNPODSRX-CFRMEGHHSA-N 465.350 7.117 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3ccccc3C)cc2-c2ccc(-c3ccccc3)cc2)c1 408726713 SWNSHLFPQUVHLR-RUMWWMSVSA-N 470.576 6.587 50 40 JKGB Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)nn2-c2ccccc2C)cc1 408726787 UUBLMJMWJLYZPG-RWPZCVJISA-N 463.368 6.227 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(=O)OC)ccc3Cl)o2)cc1 408745635 UNDFAXMBSFMSMI-VBKFSLOCSA-N 450.878 5.331 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)cc1 408794451 JEXYGQJMFFWZGB-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc(F)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408797870 UCSCTMDZUHYZFZ-XIEYBQDHSA-N 478.523 6.529 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OCc2ccccc2)c1 408800184 NNBRTYXFBODGCI-WOJGMQOQSA-N 453.325 6.127 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1F 408856024 PCHQSYRENTZVSZ-WKIKZPBSSA-N 497.320 5.686 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1Cc1ccccc1Cl 408868056 NJWIYXYRRAJVJK-LICLKQGHSA-N 497.776 5.953 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OCc1ccc(Cl)cc1 408892687 BUQNGUOXHJHEIL-XDHOZWIPSA-N 462.889 5.171 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1cccc(C(F)(F)F)c1 408962340 HOLLNLCSBXWUQM-KVSWJAHQSA-N 467.274 6.355 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)c(Cl)c1 409051798 CSZHZUWDMAHBDX-LUOAPIJWSA-N 482.194 6.952 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1OCc1ccc(C(=O)O)cc1 409070247 LDGVSRVCJIXKFF-MFKUBSTISA-N 496.563 5.863 50 40 JKGB N#Cc1ccccc1COc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Cl 409193934 IFVWLUFYWCZONM-KKMKTNMSSA-N 458.732 5.861 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1ccccc1Cl 409250946 OZRMSNWFIXHBRJ-UYRXBGFRSA-N 493.916 7.216 50 40 JKGB Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C 409256879 QKMDFUWDHQHPSX-DEDYPNTBSA-N 493.485 5.885 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c1 409264286 OJDZAZDHXFENGN-LPYMAVHISA-N 473.960 5.198 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1OC 409317228 STUIBVJBUQWAEH-MBTHVWNTSA-N 487.383 6.134 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)ccc1OCc1cccc2ccccc12 409364744 PBVHEUZSVOLKJR-YKQZZPSBSA-N 452.554 5.737 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccc(Cl)cc1 409393831 SNWMJENEWAHVGB-GRSHGNNSSA-N 486.768 7.283 50 40 JKGB CC(C)N(C(=O)C1=CC=C[C@H]1[PH](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C 521335583 FVLBQIFRGUSVTI-GDLZYMKVSA-N 455.582 5.223 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)s3)n2C2CCCCC2)cc1 2222943 UJPZMPQEENADNW-ZVHZXABRSA-N 453.637 5.371 50 40 JKGB CC(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 2697724 PFXIBTNXRKXACL-RWPZCVJISA-N 491.016 5.405 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2cc(Cl)ccc2Cl)ccc1OCc1ccccc1 4132737 JQVPDUIGBNDFTP-MZJWZYIUSA-N 473.356 5.500 50 40 JKGB N#C/C(=C\Nc1cc(C(F)(F)F)ccc1Br)S(=O)(=O)c1ccc(Cl)cc1 6088183 XSAGVCDSRHJCDZ-UKTHLTGXSA-N 465.678 5.372 50 40 JKGB Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 8402625 BQZRTOQLVSNAJV-NDZAJKAJSA-N 463.537 5.590 50 40 JKGB Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccccc5)cc4)CC(=O)N3C2)cc1 12251055 QXZTUGHCNUAOAK-VWLOTQADSA-N 467.594 5.794 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2 14151810 WYNLRAINQGUMEP-XQNSMLJCSA-N 489.600 6.776 50 40 JKGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 34799639 QBFDWBRJQTWGOC-MUFRIFMGSA-N 469.412 6.563 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1 59116884 RVUXEADTWPBYRI-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 59117036 AYFNUGYGFMMTKY-LICLKQGHSA-N 457.744 6.771 50 40 JKGB COc1ccc(N2C(=O)C(C#N)=C(C)/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1 100959495 VUDAKWCEHKCLEN-FYJGNVAPSA-N 489.325 5.515 50 40 JKGB Ic1ccc(N=P(Nc2ncccn2)(c2ccccc2)c2ccccc2)cc1 102136917 BOHGAWFUAHAJDJ-UHFFFAOYSA-N 496.292 5.592 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(F)cc1 107704387 CQIJMHNSRUXPRM-MOSHPQCFSA-N 473.504 5.014 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCC(=O)Nc1ccc(F)cc1 108168841 IJEHJUPFBPNQFN-YBEGLDIGSA-N 499.311 5.818 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2cccc3ccccc23)cc1OCC 408539989 LKUZUOOTUHHMNU-COEJQBHMSA-N 481.036 7.395 50 40 JKGB CCOc1cc(COc2ccccc2/C=N\NC(=O)Cc2ccccc2)ccc1OCc1ccccc1 408540619 ULCDHVKRBNLBFF-QXPFVDMISA-N 494.591 5.936 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccccc1F 408677608 SMWGICYVZDEVGZ-OCSSWDANSA-N 495.982 5.821 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OCc3ccc(Cl)cc3)cc2)c1C 408742735 BXGNRPGFVSZHSU-UQQQWYQISA-N 496.010 7.181 50 40 JKGB CC1=CC(/C=C(/C#N)C(=O)NCc2ccccc2)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1 408748186 ZSWIFZXUGMVZOK-JLKMOJGBSA-N 460.577 6.392 50 40 JKGB C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 408774679 XAYORSOCHSTFAJ-XAYXJRQQSA-N 477.630 5.163 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1C 408793992 RBVUMOQXINYDNF-UDWIEESQSA-N 495.804 6.844 50 40 JKGB N#C/C(=C\c1ccc(I)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408796801 PZILKWKMDKJMLH-XMHGGMMESA-N 480.305 5.416 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OCc2ccc(Cl)c(Cl)c2)c1 408799922 JJGGCZXDKJLHAL-UDWIEESQSA-N 481.379 6.744 50 40 JKGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 408803019 KJUSKGIUKGJXQJ-VTFRSSIHSA-N 458.312 5.219 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl 408827869 VEXPXRGSECKZIE-XSFVSMFZSA-N 479.363 6.683 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1Cc1ccccc1Br 408870444 DRQVIXIBGMMPQI-HYARGMPZSA-N 475.386 6.293 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 408883708 VOLWRBKKIDZBAY-RIYZIHGNSA-N 479.252 5.034 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(Br)c1OCc1cccc(C)c1 408923009 IHBMUDKZOLGUGK-JFLMPSFJSA-N 497.389 5.508 50 40 JKGB Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 408923518 JCDFWFJUAYFMAV-OCSSWDANSA-N 492.406 5.787 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 408965161 UEZOIGJGMOSVCN-BCHBDCPOSA-N 454.279 6.184 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccccc1 408988392 DIFDYFRUVQSOGA-LWKXQZBCSA-N 467.610 5.315 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)c(C)n1-c1sc2c(c1C#N)CCCC2 408996389 DJLATYWNQAPLJQ-UVHMKAGCSA-N 466.994 5.089 50 40 JKGB Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408997289 NMOWORFTTLICFD-DXJNIWACSA-N 451.614 6.326 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1Br 409042331 MKWFXSOWPBQFRW-NTEUORMPSA-N 494.183 5.555 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)c1OCc1ccc(C(=O)O)cc1 409186331 ALHBUETXVFOKGZ-HMAPJEAMSA-N 456.498 5.135 50 40 JKGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccccc1Cl)c1ccc(Cl)cc1Cl 409224727 LJMUYSPSHFNOLZ-GATIEOLUSA-N 492.702 5.538 50 40 JKGB O=C(CCC(=O)Nc1cccc2ccccc12)N/N=C/c1ccccc1OCc1ccccc1 2755541 RLPYSKFURVJZCL-VUTHCHCSSA-N 451.526 5.288 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Cl)c1OCc1ccccc1F 3628413 JKMTYLQJHFFYMM-DEOSSOPVSA-N 494.906 5.404 50 40 JKGB CCC/C(=N\NC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc12)c1ccc(Cl)s1 8454640 SQMNQCOBYZIAOU-QUPMIFSKSA-N 478.017 6.950 50 40 JKGB CC(C)(C)[C@@H]1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 8783225 DCDCHBSBVCLMAN-WHALFVPYSA-N 465.424 7.595 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OCc1ccc(C)cc1 8812819 ILADXTLLMTWSLQ-AFUMVMLFSA-N 453.336 5.109 50 40 JKGB C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 8843158 RITQXHFRYOGNMK-VFCFBJKWSA-N 477.630 5.104 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OC(=O)c1ccc(C)cc1 9288158 YVONBNBIYIFFSS-JFLMPSFJSA-N 450.922 5.339 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 9289428 IWOXLPPOWVZQJP-YSURURNPSA-N 486.580 6.362 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1cccc2ccccc12 9323639 YBGHAPJTCSEZRH-LQKURTRISA-N 489.369 5.954 50 40 JKGB Cc1cc(C(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)c(C)n1-c1ccccc1F 12558880 XUFCPRLLCYLMRH-XMHGGMMESA-N 489.344 7.046 50 40 JKGB N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 14151728 VEFPHTAZPJTRPW-UKTHLTGXSA-N 478.917 5.866 50 40 JKGB N#C/C(=C\c1cc(Br)c(Br)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 14152100 WXAFDPFYHVACJY-WEVVVXLNSA-N 481.169 5.162 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 33662762 FDGXATKTZXRLGH-MXAYSNPKSA-N 494.301 5.543 50 40 JKGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12 35419589 YJMPEUBQZGJQGA-NTFVMDSBSA-N 457.461 5.159 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(Br)c4ccccc34)o2)cc1Cl 39383569 IAKXISVANQLMIY-MZJWZYIUSA-N 481.777 6.517 50 40 JKGB O=C(CC[C@H](O)c1ccccc1)N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 58886703 XFLDIKHVZLQYJK-ZZGSFTIPSA-N 499.614 6.775 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Cl)c(C)c1 59145741 ZSHCTCREFDCPEE-UDWIEESQSA-N 451.353 6.735 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 59248530 LSQJLYBLPWBGNF-UVTDQMKNSA-N 473.779 6.701 50 40 JKGB O=C(CBr)c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 102583911 CRPNFLQKJCYQIC-UHFFFAOYSA-N 474.358 5.758 50 40 JKGB O=C(N/N=C\c1ccc(N(CCCl)CCCl)cc1)[C@H](Cc1ccccc1)c1ccccc1 104049596 LPZGJRUEMWWVFF-YKSADOEOSA-N 468.428 5.447 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 408747496 OTNOSYQYYGZOQN-QRQIAZFYSA-N 486.575 5.768 50 40 JKGB CCOc1cc(C(=S)N2CCCCC2)cc(Br)c1OC(=O)/C(C#N)=C/c1ccccc1 408753962 SBAJQIGSMJOIPA-CPNJWEJPSA-N 499.430 5.522 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc2ccccc2c1 408763510 FZCIUBUHCOTGCC-DEDYPNTBSA-N 487.342 6.911 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1F)C(=O)Nc1ccc(Br)cc1 408789291 INPJVZWVIVQDSF-QGOAFFKASA-N 451.295 5.713 50 40 JKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)c1 408790665 QMQWKJMVEPUONV-ZSOIEALJSA-N 486.311 6.494 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408791277 VOKRSLLPZPNADE-CJLVFECKSA-N 464.477 5.769 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(OCc3c(C)ccc4ccccc34)ccc3ccccc23)c1 408808186 FJVQAKIGFPSRMO-ZXVVBBHZSA-N 496.610 8.043 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCc1ccc(F)cc1 408811115 LVVCEJAXFOTDLJ-JCMHNJIXSA-N 474.507 6.217 50 40 JKGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c(C)n1-c1sc2c(c1C#N)CCCC2 408815644 IHSQNUZGOQRMHV-RYLRJRDSSA-N 491.624 5.114 50 40 JKGB CCOc1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(Br)cc2)C3)cc1 408822763 VULARKOZRNVZFU-WGARJPEWSA-N 464.363 5.132 50 40 JKGB O=C(N/N=C/c1ccc(Br)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 408839396 ROVRUBHAJXFWQE-BRJLIKDPSA-N 491.172 5.772 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1 408853674 WKJGFJIXGHDDED-UDWIEESQSA-N 468.778 7.144 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 408871968 IOKKFZXEPYRZKS-KGENOOAVSA-N 457.486 5.290 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2Br)c1 408874559 BSTNIAYPERBXDD-DEDYPNTBSA-N 465.778 6.547 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Cc2ccccc2Br)c1 408877255 TYHDMWXQRVJOHN-LPYMAVHISA-N 475.386 6.211 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1Cc1ccccc1Cl 408878167 XHYXFAZXPGZKKJ-CIAFOILYSA-N 479.407 7.145 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1Cc1ccccc1F 408882817 OFKVITPOLZOGJY-XDHOZWIPSA-N 479.349 6.123 50 40 JKGB CCN(CC)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c2C)cc1 408961497 CNFKLDMJKQTFEJ-MUFRIFMGSA-N 456.512 5.723 50 40 JKGB COc1ccc2c(Cl)c(C(=O)N/N=C\c3ccc(Br)cc3)sc2c1Cl 408970998 FNTVNJRPGFNKEX-WNFQYIGGSA-N 458.164 5.743 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1 409268711 XZRGJXYEUHJUEW-MOSHPQCFSA-N 459.933 5.520 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1cccc(F)c1 409390723 GRWZRHXHHBSNDP-GRSHGNNSSA-N 470.313 6.769 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1cccc(C(=O)O)c1 409391116 HIMPBAXWBBASRC-JMIUGGIZSA-N 451.881 6.219 50 40 JKGB Clc1cccc(P(c2ccccc2)c2ccccc2)c1C1=N[C@@H](Cc2ccccc2)CO1 1857775637 YKKZTRJLFJYJDL-QFIPXVFZSA-N 455.925 5.486 50 40 JKGB COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)c1OCc1ccc(Cl)cc1Cl 1788501 CUCIOGOAJJALOI-CIAFOILYSA-N 488.392 6.228 50 40 JKGB CCc1ccc([C@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CC(C)(C)C3)cc1 3666087 RRFBBGSYWWKGGC-VWLOTQADSA-N 482.653 6.002 50 40 JKGB O=C(N/N=C/C=C/c1ccccc1)c1cc2cc(Br)cc(I)c2o1 8875161 VCNLPAXKRCBDAW-WXEZRFCZSA-N 495.114 5.229 50 40 JKGB CCCCCC[C@H](/C=N/NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)Cc1ccccc1 12566266 GUVCDVDQTQQICL-IRVFAMIHSA-N 483.678 5.406 50 40 JKGB O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cccc(OCc2ccccc2)c1 13899158 DYIISFPFAXHAHE-OGLMXYFKSA-N 473.370 5.874 50 40 JKGB COc1cc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(C(C)(C)C)cc1 31783795 VRMQEKREXAIFHC-IWIPYMOSSA-N 496.028 6.563 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 33386462 GBHSFCCGQFOTRU-MUFRIFMGSA-N 478.508 5.524 50 40 JKGB C/C(=N/NC(=O)CCC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 33595495 UQTQRZQOZZQEEH-KSEXSDGBSA-N 457.155 5.015 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(F)cc1 35087027 KJNNTBCJAZVABD-GRSHGNNSSA-N 497.320 6.538 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1C 59272378 JOLGXFVQHBUWMS-UDWIEESQSA-N 451.353 6.735 50 40 JKGB COc1cc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C)cc1 103592612 XAJSRWWSBABISF-KPKJPENVSA-N 498.329 5.872 50 40 JKGB O=C(N/C(=C/c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 104407023 KEOZUIMUGKNRIQ-FSRJSHLRSA-O 484.559 6.409 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)c1ccccc1F 107584703 GFDNUPIQSHLMEO-SXGWCWSVSA-N 477.160 7.538 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1 107593158 YXHKZDLAQFWMOD-ZHZULCJRSA-N 473.598 5.841 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1ccc(Br)cc1 408535526 YTZPNMIBWWVFLH-LCYFTJDESA-N 474.108 6.444 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408583880 YESWZZSBVIAUNF-WOJGMQOQSA-N 491.456 5.775 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccccc1 408676079 DUAXUOCXELFYPB-OGLMXYFKSA-N 463.965 5.292 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c1 408710538 CQGPXBJMTBXALR-IPPBACCNSA-N 496.394 6.086 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1cccc(Cl)c1 408734808 KBUQWFAVMUHOBO-VXLYETTFSA-N 492.760 6.099 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccccc1F 408742067 MTEYJPHQTQXZLO-WQRHYEAKSA-N 481.321 5.721 50 40 JKGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c(C)n1-c1ccc(C(C)(C)C)cc1 408773455 RGIFMIJGYFBCEA-ZETWQASXSA-N 462.601 5.599 50 40 JKGB CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 408792140 IOVHWZSUJHHSDH-XSFVSMFZSA-N 477.358 5.972 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(Cl)c(Cl)c2)cc1 408810528 TUWWRYOZFARMJE-DEDYPNTBSA-N 481.379 6.689 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccc(F)cc1 408815945 JXALHDXNBRWIBQ-WKIKZPBSSA-N 497.320 5.686 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2OCc2cccc3ccccc23)c(OC)c1 408868269 PFFDMCXUHTXRQW-PCLIKHOPSA-N 478.548 5.659 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1Cc1ccccc1F 408872073 KBARVXVEMQROJG-HYARGMPZSA-N 458.489 5.147 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1Cc1cccc(F)c1 408885166 XKHANZKBUDPBAA-GIJQJNRQSA-N 479.895 5.922 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c([N+](=O)[O-])c1 408895497 KXBDXBGWGNGLGY-MDWZMJQESA-N 458.257 5.716 50 40 JKGB CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408906090 HGPBNJNRDVCMLQ-RAQUAXEKSA-N 474.344 5.061 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cn(Cc4cccc(C)c4)c4ccccc34)cc2c1 409184788 NONDSUQRNOHSGL-MWLSYYOVSA-N 451.526 5.907 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(I)c1 409213137 SNCVDVQVLYWICM-WQRHYEAKSA-N 469.282 5.671 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1C 409257810 QHXUXPRVLLELCK-UDWIEESQSA-N 493.485 5.885 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1OCC 409316584 LOMCKPXTVQMXSY-YKQZZPSBSA-N 492.547 5.531 50 40 JKGB COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3cccc(-n4c(C)ccc4C)c3)c3ccccc32)o1 409394282 YBTSRFLJDYUZEQ-OKCVXOCRSA-N 494.551 5.241 50 40 JKGB COc1cc(C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)ccc1OC(=O)c1ccco1 409397253 HXUKNXCJRWVKDA-UHFFFAOYSA-N 497.482 5.559 50 40 JKGB Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1CSc1ccc(Cl)cc1 651099 ZVWUZHABAZNURC-QHCPKHFHSA-N 450.991 6.064 50 40 JKGB O=C1/C(=C/c2ccc3c(c2)CCN3CCCCl)C(O)=NC(=S)N1CCC1=CCCCC1 2207099 GSLKAGNGVRDFPR-CAPFRKAQSA-N 458.027 5.036 50 40 JKGB O=C(N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1-n1cccc1 3231867 MXSHLLLJNJCHMR-UQRQXUALSA-N 456.549 6.711 50 40 JKGB O=C(O)C(SSC(C(=O)O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 5051943 MMYHHXVQHCJTHT-UHFFFAOYSA-N 486.614 6.425 50 40 JKGB COc1ccccc1NC(=O)C1=C(C)NC(SCc2ccccc2)=C(C#N)[C@@H]1c1ccoc1 9349751 BZMHVUWCUXRTIM-DEOSSOPVSA-N 457.555 5.556 50 40 JKGB CCCCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)cc1 12273806 FOGNDZAHBFTSMJ-BPDFDMIXSA-N 495.648 6.403 50 40 JKGB Cc1cc(C)c(/C=C(\C#N)S(=O)(=O)c2cc(Br)ccc2Br)c(C)c1 13147919 DPQFYHNYBDIVLA-OQLLNIDSSA-N 469.198 5.475 50 40 JKGB C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccccc1O 13595599 HVLZJOHKTMLHNZ-JVWAILMASA-N 464.978 5.076 50 40 JKGB O=C(CNc1c(Br)cc(Cl)cc1Br)N/N=C/C=C\c1ccccc1 15134165 XDIBRGDPQDUSFX-XAVDUFCFSA-N 471.580 5.092 50 40 JKGB CCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 17286299 ZBQOOVDCPMLUQC-GHRIWEEISA-N 468.376 6.116 50 40 JKGB CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 17306476 JAENGOSVXNKOLT-FOWTUZBSSA-N 477.929 5.723 50 40 JKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(=O)OCCN(CC)CC)cc3)n2)cc1 23230126 HTZPJLRRZGTZSJ-PTGBLXJZSA-N 474.630 5.848 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc(F)c1 59333253 FWFBZDLCUCAXHM-XHPQRKPJSA-N 481.571 5.389 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 59336318 JJLKUJHZWUXIOJ-YBEGLDIGSA-N 474.775 6.609 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Br 59433009 QADWTDXZHOWDKC-CXUHLZMHSA-N 490.195 5.939 50 40 JKGB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C 123228113 IZWHBFBYKQEQAB-DDLCNDOBSA-N 467.576 7.842 50 40 JKGB CC(C)N1c2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2[C@@H](C)CC1(C)C 223563084 DTQAOVDHJIOURG-FKSSYULRSA-N 482.422 6.460 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 408569434 NLLQGMXRUSDDSR-AFUMVMLFSA-N 496.614 5.010 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)c1ccc(Br)cc1 408579706 JRXSVTJLARANRZ-WOJGMQOQSA-N 487.166 6.994 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1cccc(SC)c1 408608294 VTIIDOHSWDMXHJ-UDWIEESQSA-N 498.608 5.992 50 40 JKGB Cc1ccccc1/C=N\NC(=O)c1ccc(-c2ccc(C(=O)N/N=C\c3ccccc3C)cc2)cc1 408721763 YHBMDQZNOPKVHA-CDSIFPFTSA-N 474.564 5.498 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Oc3ccc(OC)cc3)cc2)ccc1OCc1ccccc1 408723736 GSLCUNLRWYSUME-AJBULDERSA-N 496.563 6.229 50 40 JKGB CS(=O)(=O)N(Cc1ccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1)c1ccccc1 408728030 UUPQKSINKRUAEL-ZTKZIYFRSA-N 499.592 5.209 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1O 408733844 AZWBWXJTBAXMDX-VZUCSPMQSA-N 470.548 5.425 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1cccc(C)c1 408766816 SGHUMBUYXBHHGU-NDENLUEZSA-N 477.358 5.891 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1ccc(O)cc1 408790120 TYIQCLQZTHJCBJ-CXUHLZMHSA-N 457.288 5.963 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)cc1 408792386 AYXMPGGGGDXNPA-DEDYPNTBSA-N 494.950 6.401 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc2ccccc2c1 408792397 BFWATICDARMQKA-AFUMVMLFSA-N 496.994 7.243 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Br 408833772 UWSDMBJTBUMICN-NTUHNPAUSA-N 465.731 5.064 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408852252 QWNGJZGVMXWDAW-LICLKQGHSA-N 481.867 5.521 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1Cc1cc(C)cc(C)c1 408877752 WVUBNJDLQVXBEJ-FSJBWODESA-N 458.989 6.719 50 40 JKGB N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2)c1)C(=O)Nc1c(Cl)cccc1Cl 408883509 TVYXKSDCZUPKOW-FOWTUZBSSA-N 473.337 5.307 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2ccc(OCc3ccccc3F)cc2)ccc1Br 408903980 BZBPTDNHCVUSNT-MXAYSNPKSA-N 456.315 5.631 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCc1cccc2ccccc12 408969748 SZPQLBHAJQEJQP-OCSSWDANSA-N 480.520 5.946 50 40 JKGB C=CCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OCC 409033964 MMQITZWDJINTPN-CEUNXORHSA-N 451.526 5.629 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)NC(=O)C[C@H]1c1cccs1 409143896 OIGDDBFGIMAKHQ-LLVKDONJSA-N 471.913 5.131 50 40 JKGB CCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OC)c1 409324040 QTMCYIYQVGWPKT-YUMHPJSZSA-N 497.389 5.589 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(F)cc3)N(c3ccccc3)C2=O)cc1 2329329 WSGBLUHFRIPAQA-YDYXIROLSA-N 457.530 5.199 50 40 JKGB O=C(N/N=C/c1cc(OCc2ccc(F)cc2)ccc1Br)c1ccc2ccccc2n1 2754373 AXJIZJYMVCMLEF-MZJWZYIUSA-N 478.321 5.479 50 40 JKGB N#Cc1ccccc1COc1ccc(Cl)cc1/C=N/NC(=O)Cc1ccc(Br)cc1 9204244 OIWLTOHIGCNVCD-MZJWZYIUSA-N 482.765 5.246 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl 9288163 SWZJFGFKWBDRBO-KKMKTNMSSA-N 491.758 5.947 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 9948802 KWPMJXKTXZPPLS-KAMYIIQDSA-N 482.290 5.562 50 40 JKGB CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1 13713092 MQNBFILSWWYZED-OFVJEAJMSA-N 472.614 5.244 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl 14131383 ZLIDMJFLCFXOGE-MTJSOVHGSA-N 482.805 7.453 50 40 JKGB COc1cc(Br)cc(Br)c1OCC(=O)N/N=C(\C)c1ccc(C(C)C)cc1 15134839 ABCRXIWOCIUHQW-YDZHTSKRSA-N 498.215 5.263 50 40 JKGB C/C(CC(=O)Nc1cc(Cl)ccc1Cl)=N\NC(=O)COc1ccc(Cl)cc1Cl 16136918 TUYYQSQQSYEZAY-YSURURNPSA-N 463.148 5.200 50 40 JKGB O=C(N/N=c1\oc2ccc3ccccc3c2cc1-c1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] 16526073 VIINLHBQCCEBEI-BXVZCJGGSA-N 492.516 6.017 50 40 JKGB C/C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)=N/NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C 22818721 JGHXQDMREUSAKV-PDYTZPGJSA-N 498.469 5.384 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1OC 33708962 HKPHSZSWOCBGCB-RHANQZHGSA-N 487.556 5.437 50 40 JKGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)c1 33739982 ZOHZBRIICVEMPX-LGJNPRDNSA-N 456.329 5.295 50 40 JKGB O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1ccc(OCc2ccccc2)cc1 59459331 SDOOQJPOZNHHCW-LQKURTRISA-N 493.401 5.436 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C 107659206 GBDXDFRXUZISDC-OKCVXOCRSA-N 482.609 5.832 50 40 JKGB COc1cc(/C=C/C(=O)Cl)cc(Br)c1OCc1ccc(Cl)cc1Cl 226336499 HZLPJGXQWHXFMS-GORDUTHDSA-N 450.543 6.122 50 40 JKGB CCOc1cc(/C=C(\C#N)C(N)=S)cc(Br)c1OCc1ccccc1Cl 408541439 AUEHIZPZQZRCPF-VGOFMYFVSA-N 451.773 5.273 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c(C)n1-c1ccccc1I 408588779 JPZBRJIYVZLYGR-ZMOGYAJESA-N 491.760 5.045 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1ccc2ccccc2c1 408599651 YDMVFAWEDUNEHL-ZMOGYAJESA-N 464.275 5.534 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3ccccc3F)cc2-c2ccc(-c3ccccc3)cc2)c1 408723981 BREJKIDWGBSXDD-UZWMFBFFSA-N 474.539 6.418 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(OC)c1OCc1ccc(Cl)cc1 408745136 KBMSZWLICGPKMK-JCMHNJIXSA-N 488.971 6.210 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1cccc(I)c1 408752286 HKCBMPBHDREBQJ-GXDHUFHOSA-N 485.237 5.005 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccccc1 408779557 YKVSMDXTRKHFNH-GDNBJRDFSA-N 487.821 6.605 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 408790833 ZGMZKOVPTJJUBO-VCHYOVAHSA-N 482.323 6.335 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 408794012 HBTIGPOBJZQCQM-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2c(C)ccc3ccccc23)cc1 408811546 NWACIBAOZHVHDA-HKOYGPOVSA-N 462.549 6.672 50 40 JKGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(Br)c1 408814371 ZCKFUUKTWLRGTN-QUKNMLSFSA-N 478.390 5.502 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)cc1 408817747 WRKLCBRWQOXMCM-HAVVHWLPSA-N 477.520 6.435 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc2ccccc2c1 408821359 GOKGZESLSNMUTQ-IWIPYMOSSA-N 466.512 6.502 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OCc1ccc(C)cc1 408878306 AANFZEIJKKKHKJ-YBFXNURJSA-N 476.916 5.480 50 40 JKGB CCOc1cc(OCC)c(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1Br 408905359 XTYNQMKBMOTQKR-JJFYIABZSA-N 499.203 5.473 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 409024088 USQKJHMFXMSOIS-YNFMAFFXSA-N 498.341 5.789 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1F 409051078 IIACIKWAGOKECO-KKMKTNMSSA-N 461.320 5.792 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409073832 NQJWVXCWFQTKPC-SFQUDFHCSA-N 470.890 5.089 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1Cl 409265105 MQQBDMZEKOTSHB-CPNJWEJPSA-N 477.904 5.729 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)c1C 409267746 OUSUIDOTIFDNCE-XDHOZWIPSA-N 475.932 5.226 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)ccc1OC 409311456 GDWZIEGUEHORIS-VYYCAZPPSA-N 456.901 5.229 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OC)c(OC)c2)ccc1OCc1ccccc1 409311629 GNYIXZZWQXVUJR-DICXZTSXSA-N 468.937 5.099 50 40 JKGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 409377486 IRNZRPJDQCPHMA-LDADJPATSA-N 463.877 5.338 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Cl)c1OCc1cccc(C)c1 409393720 ZHJUPMHADGWITR-JAIQZWGSSA-N 473.960 6.575 50 40 JKGB O=C(c1ccccc1[N+](=O)[O-])[C@H](Br)[C@H](Br)c1ccc(Cl)c(Cl)c1 1745338 WRNZXLQWFIZGCV-ZIAGYGMSSA-N 481.955 5.984 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(F)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl 2056844 LGYZKIDMXKOJQK-RPPGKUMJSA-N 461.276 5.124 50 40 JKGB Cc1ccc(NN(C(=O)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1 2285215 PZYJXOHUZLRQBR-UHFFFAOYSA-N 450.582 6.216 50 40 JKGB COc1cc2c(cc1N/C=C(\C#N)c1nc(-c3cccc([N+](=O)[O-])c3)cs1)oc1ccccc12 9008975 QWLZCCQCMDEYIB-DTQAZKPQSA-N 468.494 6.603 50 40 JKGB Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@H](c3cccc(Br)c3)CC(=O)N2C1 9693430 UFLMYBOTUKFEFQ-INIZCTEOSA-N 474.811 5.630 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(C)cc1 12586112 QDDNXDRFKXFJJT-XSFVSMFZSA-N 471.469 5.067 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccccc2Br)c(C)n1-c1cccc(Cl)c1 28216099 SJXZJHMQEODZDQ-BRJLIKDPSA-N 490.854 5.894 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccccc1[N+](=O)[O-] 34690311 NZDQBQRHJOHEOW-PDGQHHTCSA-N 478.302 5.482 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1cccc([N+](=O)[O-])c1 35074578 BIUHSFJEJYGTHR-NDENLUEZSA-N 454.486 5.821 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1cccc(Cl)c1 59201284 UIYRDGKWWPVHGI-LPYMAVHISA-N 460.961 6.480 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccc(C)cc1 107978462 GMKATVAEQWCOJI-JFLMPSFJSA-N 489.553 5.860 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3C)o2)c(C#N)c1C 408547167 SRJJYKRQNLYIAL-LICLKQGHSA-N 488.521 5.090 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc2ccccc12)c1ccc(Cl)cc1 408578908 BQWKUAJLYMIFPN-HYARGMPZSA-N 474.785 7.899 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc2ccccc2c1 408722116 FAJJMTHYOQLGHJ-ZMOGYAJESA-N 464.275 5.534 50 40 JKGB C=CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1 408750617 PLRYZPHMQONYJU-YQYKVWLJSA-N 479.580 5.045 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)C(=O)Nc1ccc(Cl)cc1 408791776 CGWNEJUEWKFFRU-GHRIWEEISA-N 466.324 5.557 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408808952 HCGDOTOVONULIB-PGGKNCGUSA-N 467.692 5.134 50 40 JKGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c(C)n1-c1ccc(F)c(Cl)c1 408820049 UUAWEIALDVNXGR-NWKAPYIJSA-N 458.928 5.094 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccccc1F 408851803 GHKYZVJIZWYXSO-LQNQUEJISA-N 472.516 6.042 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408885767 AKVFMXDKQURIRN-LDADJPATSA-N 456.889 5.797 50 40 JKGB N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccccc1C(=O)O 408922047 CWTLPHWKQMOADF-HKOYGPOVSA-N 498.538 6.816 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(F)cc1 408922756 GKIYCFYSBZWKPO-WKULSOCRSA-N 462.908 5.984 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Br 409049946 RPUNQCJIZYZGDE-NTUHNPAUSA-N 498.602 6.199 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1cccc(Br)c1 409063511 LZZQKWJROGIVMI-FSJBWODESA-N 475.184 5.383 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1OCc1cccc2ccccc12 409070016 ZEGSDZSJFZQNNW-OVVQPSECSA-N 488.587 7.010 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccccc4)c(Br)c3)cc2c1 409187031 LCEHGBKEGDNKIN-DICXZTSXSA-N 493.357 5.937 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccc(Cl)cc1 409192404 WVMRZAQICULWFD-WYMPLXKRSA-N 488.725 5.354 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 409221414 PXRQKUZFIRKZPY-LJUMEUDFSA-N 473.523 5.644 50 40 JKGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1cccc(C(F)(F)F)c1 409231240 ISVQQRBOSJZRPZ-JYRVWZFOSA-N 460.795 5.863 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 409263699 MFRAVARVFNVTHK-WWTGGXICSA-N 482.367 5.076 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1OC 409312209 KENZCFCSXUJKMD-NTFVMDSBSA-N 482.964 5.489 50 40 JKGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)n1 409385777 IVDWJHZKUCRWTP-XDHOZWIPSA-N 463.368 6.366 50 40 JKGB Cc1ccc(N2C(=O)[C@H](Cc3cccc(Cl)c3)S/C2=C(/C#N)C(=O)NCc2ccccc2)cc1 934943 GBRMGPJFCNTXRK-FYAMCCBRSA-N 488.012 5.391 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@@H]1c1ccccc1Br 985555 GQPRTDOTJBPEJM-OAHLLOKOSA-N 462.134 5.364 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cccc(Br)c1)C(N)=C(C#N)[C@@H]2c1ccc(F)cc1 1064077 YOGGKZYNEVSFEB-NRFANRHFSA-N 466.354 5.529 50 40 JKGB C=CCOc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC 2143438 COFJCGXTANYUIK-OAQYLSRUSA-N 463.331 5.394 50 40 JKGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)NC2=C1C(=O)CCC2 2309937 MJQWVNXPDSQUQP-AREMUKBSSA-N 487.625 5.503 50 40 JKGB O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 3089522 OUNZHAGWZVNBEG-AFUMVMLFSA-N 478.302 5.463 50 40 JKGB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(F)cc1)N2 6445769 CWVCHWPJVBGHNO-JCTDHXFVSA-N 499.951 6.681 50 40 JKGB N#CC1=C(SCC(=O)N(c2ccccc2)c2ccccc2)NC(=O)C[C@@H]1c1ccccc1F 9110588 YAPDKBIZZXCBCO-OAQYLSRUSA-N 457.530 5.262 50 40 JKGB C/C(=N/NC(=O)c1ccc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 12378956 ZKZSIWSDEHCZLC-XFPKHNAPSA-N 467.356 5.301 50 40 JKGB Cc1cc2occ(CC(=O)NNC(=O)CCCOc3ccc(Cl)cc3Cl)c2cc1C(C)C 12532845 BPUIGLGPEHVFMG-UHFFFAOYSA-N 477.388 5.721 50 40 JKGB C/C(=N\NC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccccc1C(F)(F)F 12660242 CLOADBZZFANRIG-KBVAKVRCSA-N 463.459 5.987 50 40 JKGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 12960591 KDEZHBNOOSLBPK-ZCTHSVRISA-N 476.967 6.624 50 40 JKGB COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)c1 13174372 ZYEUEKQBBJWWNR-QHCPKHFHSA-N 479.989 5.150 50 40 JKGB COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@@H]3[C@H]2C(=C(C#N)C#N)C2CC2)cc1 15906144 PKOCHAJLNMAWDA-IQLXHWPESA-N 497.598 6.441 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2cccc3ccccc23)ccc1OCc1ccccc1Cl 16214907 SZXRGIMRJINXQK-MUFRIFMGSA-N 491.012 6.323 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cccc2ccccc12 16268587 BNCVJKSJOKUGGZ-ZHZULCJRSA-N 460.364 7.100 50 40 JKGB CCOc1c(Br)cc(C=NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1OC 16688086 GJMOBPHFLGAWKF-QGZVFWFLSA-N 497.389 5.441 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccc2ccccc2c1 33717433 YPVKEIGSPCHDAQ-LQNQUEJISA-N 455.557 8.035 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 59224503 ZSXLWEGIIDOBTK-CPNJWEJPSA-N 467.352 6.517 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1 59249770 AHRZCAKIGVTDIM-RAXLEYEMSA-N 459.752 6.392 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C/c1cccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c1)c1ccccc1 96399872 DDYBXSYIBASVAM-WDFAYIQBSA-N 474.564 5.255 50 40 JKGB CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(CCCC)cc2)cc1OCC 106308589 HNFKTCYLWRZOHX-IADYIPOJSA-N 452.639 6.931 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2F)c(Br)c1)c1ccc(Cl)cc1Cl 408578866 BGOFYDUGSQEVQB-CXUHLZMHSA-N 477.160 7.538 50 40 JKGB O=C(NNc1ccc(OCc2ccccc2Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 408601444 AYVROMRVPYKEFI-QGZVFWFLSA-N 470.356 5.069 50 40 JKGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 408719204 LZQHUFUKPWUFKZ-CVKSISIWSA-N 459.398 6.205 50 40 JKGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)cc2)c1 408733855 BIDOLNNWSWMHIJ-CPNJWEJPSA-N 462.933 5.790 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1 408743574 BEYCECWTTITKMC-WQRHYEAKSA-N 453.325 6.127 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1)C(=O)NCc1ccccc1 408746213 CHOUTVKARJVDSI-UWVJOHFNSA-N 481.335 5.524 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1cccc2ccccc12 408764108 IKWVUIFCECTPKP-ZXVVBBHZSA-N 498.582 7.516 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1cccc2ccccc12 408778947 ZYLIUCCOWAQECP-UCQKPKSFSA-N 489.413 6.341 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(C)c1 408795006 UJBJBYKNJYGJRU-RGVLZGJSSA-N 491.931 6.080 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc2ccccc2c1 408796723 PRKIWCJZTZYXOZ-OEAKJJBVSA-N 498.966 6.722 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1ccc(Br)cc1 408799647 ZUMSDCBOBYQSOQ-QGOAFFKASA-N 467.750 6.227 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1cccn1-c1ccc(Br)cc1 408848650 RPGLQYMGMWRBJH-PKAZHMFMSA-N 474.358 5.436 50 40 JKGB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)c2C)cc1 408863097 PFAUBJPGXUKMOB-HZHRSRAPSA-N 490.003 6.559 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Cc1ccccc1Cl 408865573 BHUJVUUAMIMKNO-VCHYOVAHSA-N 471.771 6.792 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408884044 XPQMYNADSWFLMJ-OQLLNIDSSA-N 494.847 5.503 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 408889087 DMNNFXPEEVOCID-XSFVSMFZSA-N 483.911 6.526 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccc(C)cc1 408891160 MKHBJUWNHAZFQT-UDWIEESQSA-N 491.931 6.080 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1Cl 408981372 ASAYUEYTULONAG-IUXPMGMMSA-N 489.761 7.219 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(F)c2)c(Br)c1 408990371 XFFLDXVUVIUBFO-ZDLGFXPLSA-N 499.767 6.675 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2)cc1 409046982 LVNNSWWQFREIFA-WOJGMQOQSA-N 453.325 6.127 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1 409059300 VYZQKDWUERCWTJ-LGJNPRDNSA-N 487.781 5.762 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1 409229244 MAOVTPRZZQBXHQ-CSMVZQPBSA-N 475.386 6.121 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 409238340 NBQNAPHMXGBFAQ-WKIKZPBSSA-N 461.320 5.413 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2C)c1 409256989 OODCDZKHTIODOF-FYJGNVAPSA-N 473.960 5.828 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1Cl 409317637 RIBKLKUBMBFIKI-VULFUBBASA-N 487.781 5.844 50 40 JKGB CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)[nH]c12 409396387 YBVHRLNMHKETCC-UHFFFAOYSA-N 487.559 6.380 50 40 JKGB CCOc1ccc([C@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CCC3)cc1 1022997 WDDHOAMFZRMENP-DEOSSOPVSA-N 470.598 5.202 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 1805777 LFAKUWWVWYSMHG-YRNVUSSQSA-N 485.676 7.471 50 40 JKGB Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C1CC(C)(C)CC2=O 2187773 AEIKKYNXLBLZHM-QFIPXVFZSA-N 452.385 6.243 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)N(c3ccccc3)C2=O)cc1 2284252 NMTFZGXZBINXSQ-OGCOBRASSA-N 488.012 6.022 50 40 JKGB Cc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N=C(O)[C@@H]1C#N 2293853 YZGIBELLBWJFLI-YLJYHZDGSA-N 481.375 5.058 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3cc(C)nc4ccccc34)c2C)cc1 6090172 IMENOCKGSHGUFY-LQKURTRISA-N 472.614 5.592 50 40 JKGB Cc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccccc2)cc1C 19949403 IFVUWALIWQJGAX-UHFFFAOYSA-N 497.705 6.276 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C#N)cc1 20195243 XGCOCPUASZDMEY-OKCVXOCRSA-N 475.976 5.499 50 40 JKGB CSc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 33351550 DTPRXCGHMHMBPO-QQXSKIMKSA-N 473.627 5.207 50 40 JKGB Cc1cc2nc(/C(C#N)=C\c3cn(Cc4c(Cl)cccc4Cl)c4ccccc34)[nH]c2cc1C 33619787 JWPZJAPGEQAWCO-PDGQHHTCSA-N 471.391 7.554 50 40 JKGB O=C(N/N=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2cccc3ccccc23)cc1)c1cccnc1 34863821 WAPZXPYHUXWSQN-DXMZMKEOSA-N 495.586 6.354 50 40 JKGB Cc1c(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1CCOc1ccc(Cl)cc1 41078047 DKQZKKPWWMPUSW-CAPFRKAQSA-N 457.917 6.655 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OCc1ccc(Cl)cc1 59297129 RXRNTFMDMKMSGT-PXLXIMEGSA-N 468.940 6.626 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1cccc(C)c1 59336481 AAJGUSXVVCCGMR-JCMHNJIXSA-N 477.391 7.155 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 59447352 GSZSNLHKVAZLLY-STBIYBPSSA-N 458.945 6.235 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)ccc1OCc1ccccc1 59473235 AIPRFHMWWVBDQZ-NDZAJKAJSA-N 482.605 6.330 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)c1 108238211 ZXEZDEQQHXMQAW-OCSSWDANSA-N 463.537 5.624 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)c(C#N)c1C 408547211 VJHKLXOPMINZEH-MTJSOVHGSA-N 471.582 5.540 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OCC(=O)O 408549926 BQWNCIAJBXQERS-OCKHKDLRSA-N 499.304 5.371 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc(N2CCCC2)cc1 408676927 NQVIMZFQMNWGOK-WPWMEQJKSA-N 478.390 5.392 50 40 JKGB Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c3ccccc32)cc1 408747542 PJZCDWPXNNQKCW-ZHZULCJRSA-N 470.370 6.306 50 40 JKGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)o2)c(C)c1 408748182 ZOQQMGAOHGQAIA-VBKFSLOCSA-N 465.303 5.350 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 408752277 CUYKMSLBAUCWIW-SDQBBNPISA-N 470.150 5.709 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(OCc2ccc([N+](=O)[O-])cc2)c1 408799324 KJUMDTHKWLUUNB-FYJGNVAPSA-N 457.486 5.345 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(F)cc2)c2ccccc12 408805369 AMVWJLZTECCZMR-CPNJWEJPSA-N 473.935 6.345 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1C 408813354 QEURXWHWERBRQF-XQNSMLJCSA-N 466.968 7.235 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1Cc1ccccc1F 408867584 LNQXEOSBVCAZLG-WOJGMQOQSA-N 452.888 6.153 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1cccc(C(=O)O)c1 408940141 JEHHOZCXYORSMS-MUXKCCDJSA-N 492.915 5.526 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OCc1ccccc1F 408988619 IONXIGDGBZMRJU-HYARGMPZSA-N 490.962 6.649 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCC(=O)O 408990094 MKNRWFVSDDWURW-PXNMLYILSA-N 489.753 5.149 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)Cc3cccc4ccccc34)c2)cc1C 409012838 LKAFKFCPXRUTPC-UXHLAJHPSA-N 465.553 5.167 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409090361 MOGYZLHZQUSLGG-MHWRWJLKSA-N 485.374 6.387 50 40 JKGB Cc1ccc(N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409118486 NMCNISJVDURAHT-RWPZCVJISA-N 498.048 5.228 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)cc2c1 409188166 XAIGVUPAJWDODB-FDVSRXAVSA-N 455.489 5.738 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 409216494 LYIASCKKJGFAFC-WQRHYEAKSA-N 453.267 6.140 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)cc2Br)cc1 409217210 OATLECJXZGAXMS-UNOMPAQXSA-N 492.329 5.747 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1 409251754 QMMVUBGVIVZLJJ-CJLVFECKSA-N 469.541 5.265 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)c2)c1 409264413 KBVQLCYDWRJRHG-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)ccc1O 954265 IOODVNGOZRLKHW-MKMNVTDBSA-N 460.342 5.301 50 40 JKGB Cc1ccc(NC(=O)N(NC(=O)c2ccc(C)cc2)c2nc(-c3ccc(F)cc3)cs2)cc1 1415219 KRLGKKGXSKIBKI-UHFFFAOYSA-N 460.534 5.950 50 40 JKGB CCCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)cc1 2109285 JVOXCDOKTKHDKE-AJBULDERSA-N 465.597 6.968 50 40 JKGB C=CCOc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC 2143437 COFJCGXTANYUIK-NRFANRHFSA-N 463.331 5.394 50 40 JKGB CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3[nH]2)c1 9191266 DMEYWMYAWSEGTD-XLNRJJMWSA-N 459.553 6.659 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(SC)c2)c([N+](=O)[O-])cc1OCc1ccccc1 9246229 CRKDYSQVJRYGDN-YBFXNURJSA-N 475.526 5.450 50 40 JKGB COc1ccccc1/C=C\C=N\NC(=O)c1cc(-c2ccccc2OCc2ccccc2)n[nH]1 9763692 KKMSNJGOAMWJCI-XQFDLYKYSA-N 452.514 5.093 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC(=O)c1cccs1 13527707 ADGMUAHBMJGJMW-XNTDXEJSSA-N 472.444 5.540 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3C#N)c(OCC)c2)cc1 20764837 APQKVBVEFCTHSZ-MUFRIFMGSA-N 477.948 5.352 50 40 JKGB O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc2ccccc12)c1ccccc1Br 26123499 OKMUTJREJLJSKW-RWPZCVJISA-N 493.788 6.599 50 40 JKGB CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1 27021187 WTBKQPMVQWXTIG-RCCKNPSSSA-N 468.944 5.425 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)c1 34807426 WBKPQYUDAXZLKS-CFRMEGHHSA-N 471.922 5.181 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117484 ZLDYPQXSRXRFKL-LICLKQGHSA-N 457.744 6.771 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 59437032 GFZXTTOEMWHYKY-LGJNPRDNSA-N 488.327 5.643 50 40 JKGB COC(=O)c1sc(-n2cnc3ccc(CCl)cc32)cc1O[C@H](C)c1ccccc1C(F)(F)F 95079986 BXRDGJYSXNXZCP-CYBMUJFWSA-N 494.922 6.771 50 40 JKGB C/C(=N\NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1)c1ccc(Cl)cc1 211040854 ANHDFCJZFXOKKW-WGOQTCKBSA-N 490.412 5.114 50 40 JKGB C=CCOc1c(I)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OCC 408569444 NOXYTAHGAIJNRG-ZSOIEALJSA-N 489.288 5.334 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3Cl)cc2Cl)cc1 408579950 LWKKZKRJBRVOAT-MHWRWJLKSA-N 478.784 6.787 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(OCC)c1OCc1ccc(Cl)cc1 408582279 MSPIGGAVJLAXIU-LFVJCYFKSA-N 459.973 7.119 50 40 JKGB O=C(NNc1ccc(OCc2ccccc2Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408601265 AQHZSXNMFFCALK-MRXNPFEDSA-N 488.346 5.208 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)/C=C/c1ccccc1 408718704 YYUFIQBGDGOKMY-DPOMIOOYSA-N 483.351 5.775 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(F)c2)c(Br)c1 408742378 AENPDVDJDKAMDS-ODLFYWEKSA-N 465.322 6.021 50 40 JKGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1I 408744389 FFZLLDQAMWDRTF-UVTDQMKNSA-N 464.690 5.055 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2cccc(Cl)c2)cc1 408778039 PBXFDXYUJKLGPT-OGLMXYFKSA-N 492.000 5.147 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 408793325 DWBUJXAFLUWDII-XDHOZWIPSA-N 492.329 5.790 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Cl)cc1OC 408796266 OQTOUMOHYVSJDO-DEDYPNTBSA-N 462.933 5.872 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 408808904 FWYHDFKQVLWHHE-GRSHGNNSSA-N 485.342 5.943 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)NCCc1ccccc1 408812452 SNSJCKWIBCBWQK-KGENOOAVSA-N 479.349 5.433 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccc(OC)cc3)c2C)sc(C)c1C 408814218 QQAKUSAJJWFXKE-XKZIYDEJSA-N 491.613 5.181 50 40 JKGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)C(=O)NCCc1c[nH]c2ccccc12 408846609 QKHRLJWAILHOSM-DHDCSXOGSA-N 495.322 5.909 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Br)cc1 408855139 DUZIEFVMGJZLRI-DICXZTSXSA-N 493.357 5.937 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1 408856328 FQZXSNDKYCFVPL-LGJNPRDNSA-N 487.781 5.762 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl 408879408 GBJXZMQBZOFDFR-WOJGMQOQSA-N 485.342 6.656 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccc(F)cc1 408888965 DBLYPTDVPKKPCN-WOJGMQOQSA-N 495.894 5.911 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)cc1 408897207 QRUAHIXLTBYZCW-SFQUDFHCSA-N 470.909 5.101 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1C 408924699 NQNRKQHUTFJZKJ-YBFXNURJSA-N 467.352 6.435 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(Cl)c1OCc1ccc(F)cc1 408924999 RJDMSTANVOGBCE-MUFRIFMGSA-N 477.923 5.621 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1c(C)cc(C)cc1C 408987384 XDWRLLUCNNLUOE-FYJGNVAPSA-N 460.961 6.399 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OC)c1OCc1cccc2ccccc12 409068720 UWUDZVJMQFKDPK-OVVQPSECSA-N 488.587 7.010 50 40 JKGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3Cl)=C2C#N)cc1 639247 KPUUAMDWKZPHIG-HNNXBMFYSA-N 490.810 5.122 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1cccnc1 12463497 SRDDNKOEPIOMMV-BUVRLJJBSA-N 465.629 5.011 50 40 JKGB CC1(C)CC(=O)c2cc(C#N)c(SSc3nc4c(cc3C#N)C(=O)CC(C)(C)C4)nc2C1 16605239 SUBOXUQTOZSHAG-UHFFFAOYSA-N 462.600 5.330 50 40 JKGB CCOC(=O)C1=C(C)NC(SCc2ccc(Br)cc2)=C(C#N)[C@H]1c1cccs1 19851512 QIHJCWFVFRMXOV-IBGZPJMESA-N 475.433 5.703 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2ccc(C)c(Cl)c2)cc1 20207194 FAFBFPXHZPDZIV-RWPZCVJISA-N 498.048 5.228 50 40 JKGB O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1cccc(Br)c1 32116858 XAMRILZDHGOMNJ-FMCGGJTJSA-N 490.766 5.926 50 40 JKGB N#CC(=C\c1ccc(OCCCOc2ccc(Cl)cc2)cc1)/C(O)=N/c1nc2ccccc2s1 41120648 SCSRYTZSWXPGJM-KNTRCKAVSA-N 489.984 6.993 50 40 JKGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/C(Br)=C\c2ccccc2)cc1 57476868 WMHXTZRGNNSUPG-FLFUNREMSA-N 471.439 6.317 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccc(F)cc2)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 59116615 RMWFZQQNLBCLEO-XDHOZWIPSA-N 457.530 5.762 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccc(Cl)cc1 59116991 NMFLRSAKIDHDIK-YVLHZVERSA-N 457.744 6.771 50 40 JKGB CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccc(F)cc1 59922101 JOXMOJBXTDJFHS-UZWMFBFFSA-N 498.554 5.190 50 40 JKGB CN(C)c1ccc(P(=NN=C2C=C(Cl)C(=O)C(Cl)=C2)(c2ccccc2)c2ccccc2)cc1 102228438 URECEFYDFIGVKJ-UHFFFAOYSA-N 494.362 5.414 50 40 JKGB ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@@H]([C@@H]4C[C@@H]3C[C@@H]4I)[C@@]1(Cl)C2(Cl)Cl 103903020 NLGITZRGNAIORZ-HFEZQARESA-N 492.826 5.908 50 40 JKGB ClCCN(CCCl)c1ccc(/C=N\n2c(-c3ccccc3)nnc2-c2ccccc2)cc1 104053798 NGIAHYWUAFVAHI-USHMODERSA-N 464.400 5.778 50 40 JKGB IP(c1ccccc1)(c1ccccc1)(c1ccccc1)N1[C@H]2CCCC[C@@H]21 104127985 XQHRMWPGGYIBNV-ZEQRLZLVSA-N 485.349 5.408 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1O[C@H](C)CC 108975679 RHPKDVSZTQZWQM-WJGWSCHNSA-N 454.954 5.842 50 40 JKGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)COc3ccc(Br)cc3)cc21 208245547 RWPZRLIGWVLRQZ-KWRYHKOTSA-N 478.818 5.354 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(OC(C)C)ccc3ccccc23)c(C#N)c1C 408546406 IWVZHRHUVIAYAH-XDHOZWIPSA-N 472.566 5.764 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408772788 HXJMGSOXBXVAIS-JCMHNJIXSA-N 494.551 6.239 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2F)c(Cl)c1 408793027 CVNJVDDLVRHJJB-WOJGMQOQSA-N 455.316 6.566 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)c(OCc2ccc(C)cc2)c1 408834281 VORITJNRNAXWPF-RGVLZGJSSA-N 492.959 5.799 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1OCc1ccc(Cl)c(Cl)c1 408879438 GDXQOHMXBQMUTR-CPNJWEJPSA-N 467.352 6.435 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1 409049667 XQPWCQZDEPQRKD-CXUHLZMHSA-N 475.734 6.911 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)c(C)n1-c1ccc(F)cc1 409116048 LJJMKDAYUDTNHC-KBKYJPHKSA-N 464.393 5.924 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409192455 XODSVLJHOJRGBB-BRJLIKDPSA-N 474.300 5.253 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCc1cccc(C)c1 409233106 KHYPCYFHOLSYMC-UVHMKAGCSA-N 499.036 5.275 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)cc2Cl)c1 409242443 VAENASSSSHAESU-KBKYJPHKSA-N 489.428 5.530 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3cccc(C)c3C)c2)c(C)c1 409259491 ZQZSYDHXNQSMAU-OEAKJJBVSA-N 453.542 5.483 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1OC 409336711 UGYQAQSKHGZUNK-MBTHVWNTSA-N 485.367 5.910 50 40 JKGB C[C@]1(CBr)[C@H]2CC[C@]1(CBr)c1nc3cc(Cl)c(Cl)cc3nc12 1430727 KTPUHCVQFOHYGP-FOJFLGBKSA-N 465.016 5.862 50 40 JKGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 1439561 YTAXLMYQAOXEEP-HEHNFIMWSA-N 476.488 5.391 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2)c1C 2214015 GYUCKAIWGLUKEF-GOHCDNDPSA-N 488.012 6.022 50 40 JKGB O=C(N[C@@H](C(Cl)(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 3200379 GJGIGOZTGPWCJM-HXUWFJFHSA-N 487.150 5.780 50 40 JKGB COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3cccs3)n2-c2ccc(Cl)cc2)cc1 9186830 NNRVQRPTNVPMCG-MYYYXRDXSA-N 498.033 5.290 50 40 JKGB C=CCc1cccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)c1O 9272233 YGVDGQXNVWIFQS-RWPZCVJISA-N 491.016 5.415 50 40 JKGB CCCCOc1ccc(C(=O)NNC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc1OC 15914026 IQAHXOGGGPBWKL-UHFFFAOYSA-N 499.567 5.076 50 40 JKGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c1 20158581 XXUZQEUCOKWWNV-AJBMTWKMSA-N 495.988 5.314 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c1)c1ccccc1 33688187 DDYBXSYIBASVAM-MDAJSGPLSA-N 474.564 5.255 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc2OC)cc1 59272404 JZWWQPAGEMEAMX-CJLVFECKSA-N 478.504 5.622 50 40 JKGB O=[N+]([O-])c1cnc(NP(=O)(NC2CCCCC2)NC2CCCCC2)nc1NC1CCCCC1 104058556 ZLWFQRRCITXPFK-UHFFFAOYSA-N 479.566 5.494 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12 108417672 ROMNMZNRVINULG-UUYOSTAYSA-N 470.536 5.289 50 40 JKGB Cc1ccc(NCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 408527260 FPFMWQDUCUVYEO-UVHMKAGCSA-N 486.797 5.552 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1)Nc1ccc(Cl)c(Cl)c1 408756950 YLXCTMZJJLPCPL-WKULSOCRSA-N 492.362 5.928 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OCc3ccccc3)cc2Br)cc1 408790283 VLIZQUUBROWWJI-FYJGNVAPSA-N 491.385 6.145 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(C)cc1 408794871 KFCIEYVSVROFEQ-YDZHTSKRSA-N 474.988 6.789 50 40 JKGB COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Cc1ccccc1 408807011 BTVATHDVNPZQHJ-YSMPRRRNSA-N 463.331 5.559 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccccc1 408851634 DVFJHZKRGMSVGR-WGARJPEWSA-N 479.330 5.547 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(Br)cc1OCc1ccccc1 408854096 XMTRNPDRDICRHJ-LPYMAVHISA-N 491.385 5.650 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(/N=N/c3ccccc3)ccc2O)cc1 408857200 SSDLDNWRTRCJTP-WYWFEXDASA-N 499.574 7.338 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C)c1OCc1ccc(Br)cc1 408859580 VIDNUVHOOXGISU-DHRITJCHSA-N 482.334 5.317 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1OCc1ccccc1Cl 408887963 VLWWPKYVUCQTPX-GZTJUZNOSA-N 487.770 6.780 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OC(=O)c2cccc3ccccc23)c1 408894302 HKONUYRKOHCRKG-XSFVSMFZSA-N 493.475 5.521 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1cc(Cl)cc(Cl)c1 408923828 KLTRYPWFXPIELQ-KIBLKLHPSA-N 455.172 6.472 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OC)c1OCc1ccc(Br)cc1 409071324 GQOVHPQIZBSREV-HZHRSRAPSA-N 460.371 6.829 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2cccc(F)c2)c(Br)c1 409134881 OQCMOOSWEVMSMN-JOCHJYFZSA-N 467.294 5.091 50 40 JKGB Cc1ccc(COc2c(Cl)cc([C@@H]3C(C#N)=C(N)Oc4cc(O)ccc43)cc2Cl)cc1 409135837 RFSGZVZXNNFRKQ-QFIPXVFZSA-N 453.325 5.805 50 40 JKGB Cc1ccc(COc2c(Cl)cc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2Cl)cc1 409137395 WFWBAWRLEQLEQS-NRFANRHFSA-N 455.341 5.696 50 40 JKGB N#C/C(=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12)C(=O)NCCCc1ccccc1 409230273 CWTLKJDNXBIDJS-XLNRJJMWSA-N 496.998 5.589 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2F)cc1OCC 409305298 VCHYHCCZVWEBGS-MWLSYYOVSA-N 482.939 5.786 50 40 JKGB O=C(CNC1CCCCC1)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 409377196 GRVJYNKHCWCTBJ-XODNFHPESA-N 457.405 5.369 50 40 JKGB O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)N/N=C/c1cccs1 2358318 MHYMFDBIJHREJF-YDZHTSKRSA-N 498.431 5.001 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 2670738 DJZZQEAOGPAACY-GZTJUZNOSA-N 490.928 6.101 50 40 JKGB O=C(N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1O 8386988 CKQCZHLUQPRLIP-LQYQJCSBSA-N 460.537 5.512 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc(Br)c1OCC#N 8437805 CLCBNILALMWTAE-LGJNPRDNSA-N 478.302 5.023 50 40 JKGB COc1ccc(-n2c(-c3ccccc3)cc3c2CCC(C=O)=C3Sc2cccc(OC)c2)cc1 8781536 WYHVQPCBCQYNOV-UHFFFAOYSA-N 467.590 6.810 50 40 JKGB CCOc1cccc(-c2cc(C(=O)N/N=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[nH]n2)c1 9375342 VDTIYZKZAYZMGH-LQKURTRISA-N 462.594 5.540 50 40 JKGB Cc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccc(F)cc3)C2=O)c1 9909847 BWCHIACLJKCYLW-YMGIJWJESA-N 457.530 5.199 50 40 JKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 10059267 XRTWSVDOLGEOOV-UXIIITNFSA-N 455.898 5.551 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(N/N=C/c3ccc(N(CC)CC)cc3)cc2)cc1 12563845 CTVVFDMSWZFEIZ-KZOHAVLASA-N 484.648 5.589 50 40 JKGB Cc1ccc(/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1[N+](=O)[O-] 13658638 HFSUMPBSYIUCLB-UUASQNMZSA-N 494.326 5.960 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCC(=O)c1ccccc1 13659214 WIBKNFNZTPKQPV-FYJGNVAPSA-N 497.532 6.053 50 40 JKGB C/C(=N\NC(=O)CSCc1ccccc1C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 20240728 XRLCOZPMWIPQDL-UQQAFFGVSA-N 481.665 6.595 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 33458770 RCDSCKJXDUGLCA-KQWNVCNZSA-N 456.948 7.530 50 40 JKGB CC(=O)Oc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1Br 44827446 WIFVOZRJSIVWIM-OVCLIPMQSA-N 459.752 6.215 50 40 JKGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 58894284 GQUIYJVJEDKONW-SIMFPYGHSA-N 490.600 5.335 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 59201230 KVDXLQJQRGWLMV-WQRHYEAKSA-N 483.351 6.135 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OCC#N 59336273 KEENRVBNZOMNDD-GHXNOFRVSA-N 481.133 5.213 50 40 JKGB COc1ccc(/C(C#N)=C/c2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc23)cc1OC 408580248 BMBLTZINXHCHGC-CJLVFECKSA-N 485.561 5.997 50 40 JKGB COc1ccc(/C(C#N)=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1 408583888 YHCWNTWZWHYOGW-KGENOOAVSA-N 460.360 7.798 50 40 JKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 408787178 TVTIOHJLUVMZSZ-XNTDXEJSSA-N 496.317 5.950 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1 408791811 CVUGGLPRNACRHU-DEDYPNTBSA-N 476.916 5.562 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccccc1 408797532 SKUPUYXFXMFBRR-XDHOZWIPSA-N 467.352 6.517 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1 408800834 PRQNBOIUECOSJB-NHFJDJAPSA-N 482.583 7.680 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408819595 XXDMMHBVXBYEHL-XIEYBQDHSA-N 494.978 7.044 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)c(O)cc2O)cc1 408844807 FJDCVUOXXABEPO-DICXZTSXSA-N 490.357 5.390 50 40 JKGB O=C(N/N=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1cc2ccccc2o1 408848544 QYTVRCODCFTMJQ-PPDIBHTLSA-N 473.743 6.736 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(C)c1OCc1ccc(Cl)cc1 408851018 UNXKGRVSGLABCD-MFKUBSTISA-N 466.968 7.235 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1Cl 408875992 LZQQHLKWRXJBJC-KGENOOAVSA-N 470.931 7.065 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc2ncccc2c1 408968439 YVNAVPVTJSSMCR-MNDYBZJGSA-N 450.464 5.354 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(C)cc1 408982132 GFAZFYYTZXEXJA-IWIPYMOSSA-N 456.973 6.810 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1 409055648 JQNZHITWTYAAFO-CJLVFECKSA-N 499.567 5.356 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409075682 ZWZFQZRWWGXLLA-RGVLZGJSSA-N 478.888 5.988 50 40 JKGB Cc1ccccc1OCCCn1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 409197851 QEHDPGMEBWUFOD-XQNSMLJCSA-N 493.563 5.371 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409267096 LWRMDDWVNKADEH-HMAPJEAMSA-N 469.541 5.184 50 40 JKGB C=C(/C(C#N)=C/c1ccc(OCC)c(OC)c1)N(Cc1ccc(Cl)cc1Cl)c1ccccc1N 409330989 BELJMNMSTCNESP-FYJGNVAPSA-N 494.422 7.110 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccccc1C#N 695009 KMWCMUHBVLPNLJ-KBVAKVRCSA-N 475.504 5.809 50 40 JKGB O=C(N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1sc2ccccc2c1Cl 2297892 IXUYMPRVJSVJDM-JVCXMKTPSA-N 495.991 6.389 50 40 JKGB COc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1CSc1ccccn1 2739933 NBIZKBQEJWKETL-HJHSVFMCSA-N 471.582 5.453 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(C#N)cc2)cc(Br)c1OCc1ccccc1 2880141 NBIDEHMHOKWXKI-WSDLNYQXSA-N 459.343 6.363 50 40 JKGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 8721525 GMDVVPMKNLZXIQ-ZROIWOOFSA-N 496.188 6.265 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1)c1ccccc1 9020140 LIDTYGQEMYHDIH-BRPDVVIDSA-N 483.641 5.864 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc4ccccc4c3)cs2)ccc1OCc1ccccc1 9075381 BYGYTUIKOGOXOI-YSMPRRRNSA-N 474.585 7.615 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(C)cc1 12555905 WZCNEECXVZRONB-YBFXNURJSA-N 477.904 5.690 50 40 JKGB CC1(C)[C@]2(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)CC[C@@]1(C)C(=O)[C@@H]2Br 16038166 NGZWVRXNRXLQKS-WDJPJFJCSA-N 488.809 5.668 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1ccccc1Br 20760738 QCJYDQZZLQCSIV-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OC(C)C 33423019 SZGKCKOTKHCLIG-LZYBPNLTSA-N 477.786 6.143 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)Sc1nc2ccccc2s1 34895182 OJRPHFMRDRFZPU-CPNJWEJPSA-N 458.011 7.609 50 40 JKGB C[C@H](NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccccc1 58882988 YWBLNNIIFKLGOE-FKSSYULRSA-N 470.356 5.014 50 40 JKGB Cc1ccc(COc2c(Br)cc(/C=C(/C#N)C(=O)N(C)C)cc2Br)cc1 59333942 ULLQBZBXUDXODA-PXNMLYILSA-N 478.184 5.094 50 40 JKGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 59473283 JBPIJMIGBRFOCQ-HJHSVFMCSA-N 475.013 6.703 50 40 JKGB CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Cl)CC)CC[C@]4(C)[C@H]3CC[C@]12C 70697653 JKEJJFJGGOFWEL-SOAPJMSXSA-N 491.200 9.245 50 40 JKGB biogenic CC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1 108110445 GFFPATVSYLHZBN-CFRMEGHHSA-N 468.922 5.122 50 40 JKGB CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118924630 FOQAJGFTDYXPDS-KXRXMHQNSA-N 475.157 9.184 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c1 207156007 PJSPDLMCQADQSM-CSMVZQPBSA-N 475.386 6.121 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc2c(c1)C(C)=CC(C)(C)N2C(C)C 223479193 QXGWFNGTQMMYIO-VULFUBBASA-N 470.411 5.632 50 40 JKGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 408607172 CEDWEUFVNLJDSD-RWPZCVJISA-N 498.366 5.226 50 40 JKGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Br)cc1 408742841 CCZUXMRWGRSLHB-BKUYFWCQSA-N 461.359 6.191 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1ccccc1C#N 408799755 IILIISNPSYTFER-CIAFOILYSA-N 457.917 5.653 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c(Br)cc1OCc1ccccc1 408812908 XMWDSGHCBHAEMY-GHUUQALQSA-N 483.406 5.639 50 40 JKGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408829124 OEXAVIWRHAEGCO-ZFILKEQLSA-N 453.778 6.538 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(Sc3ccccc3)o2)cc1 408846604 QGZSOQNGIMLGGJ-COEJQBHMSA-N 477.589 6.961 50 40 JKGB C/C(=N\NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 408862155 FTDIILZPCOVSOQ-LGJNPRDNSA-N 471.300 5.308 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)O 408891153 MIHQUCOSAKGSAE-CAPFRKAQSA-N 462.461 5.303 50 40 JKGB Cc1ccc(Sc2oc(/C=C(/C#N)c3nc4cc(C)c(C)cc4[nH]3)cc2Br)cc1 408914775 YXEJVJSCCQQUSX-YBEGLDIGSA-N 464.388 7.059 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C)c1ccccc1 408980318 QNJDXSRKWCABAA-JEWPKMHUSA-N 466.969 5.075 50 40 JKGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1Cl 408986163 ZWAXHPYGBDYZEW-MLPAPPSSSA-N 453.709 5.053 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OC)c1OCC 409038470 VNHITMVKGGMOEZ-FSGOGVSDSA-N 465.553 5.802 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Br)ccc3Br)o2)cc1 409121303 ULMOBTBIRLDCIZ-GXDHUFHOSA-N 486.163 6.326 50 40 JKGB CCOc1cc(C=NNC(=O)c2ccc3c(c2)COC3)ccc1OC(=O)/C=C/c1ccc(Cl)cc1 409138042 ZAWWOHGNWUDKER-OGPVHDMMSA-N 490.943 5.152 50 40 JKGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 409141070 UAAHNXDVIGGAIF-VBYICHLGSA-N 470.436 5.796 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccc(Cl)cc1 409188974 LUPDQNGNJSXULB-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c1C 409370869 CLMUCXXOTWGDTB-OGLMXYFKSA-N 468.513 5.442 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 1453309 BYMGYMBJMOHLMO-RVDMUPIBSA-N 455.297 5.976 50 40 JKGB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4C[C@@H](Br)[C@H](Br)C[C@H]4C3=O)cc2)c1 8449786 OYPVHBMYKLKSNL-FCGDIQPGSA-N 493.195 5.214 50 40 JKGB Cc1cccc(-n2c(SCC(=O)C(C#N)=C3Nc4ccccc4N3)nc3sc(C)c(C)c3c2=O)c1 8880783 STQMLJZJFRQVNB-UHFFFAOYSA-N 499.621 5.306 50 40 JKGB CCCCOc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)c1 8917425 IDGOKARXFUMFHK-SANMLTNESA-N 454.526 5.611 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OCc1ccccc1 23724116 DYTABXXHLWUREJ-LDADJPATSA-N 453.325 6.127 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(OC)cc1 33575391 HYZSWHLWCLUPQG-PXLXIMEGSA-N 499.567 5.274 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1O 33695580 RSZIQTDRWAYDSO-BOPFTXTBSA-N 494.301 5.188 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)cc1 59334807 WYTXJGWEBPUWGR-WQRHYEAKSA-N 459.771 5.405 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 83293370 CARCOSKIUDPQSW-XSFVSMFZSA-N 464.499 5.134 50 40 JKGB N#CC(C#N)=C1C=C2C=C(N3CCN(C4=CC5=CC(=C(C#N)C#N)CC[C@H]5CC4)CC3)CC[C@@H]2CC1 101836233 UTPOJIRZARNFTF-VXKWHMMOSA-N 474.612 5.320 50 40 JKGB CN(C)c1oc(Nc2ccccc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102617949 HBLYHRFDGUYCAF-UHFFFAOYSA-N 464.529 5.104 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(C)c1 216049474 QCCMWQRGVRMGIV-FJEPWZHXSA-N 478.423 6.614 50 40 JKGB CC(C)N1c2ccc(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)cc2[C@@H](C)CC1(C)C 223547444 XCMLCQWYOYLZRA-LNLSZRECSA-N 462.421 6.023 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Cl)c1OCc1ccccc1 408544770 XOQBNTCFCNJGJA-MTJSOVHGSA-N 457.961 6.875 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1)c1ccc2ccccc2c1 408549845 AESDQJNSCSDPEN-MSXFZWOLSA-N 484.349 6.944 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(C(C)C)cc1 408745374 RCTZJGLZTGRJIC-STZFKDTASA-N 462.391 6.526 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c2ccccc2n1Cc1ccccc1C#N 408755658 RUJKCBMQHXTXBM-BKUYFWCQSA-N 495.380 6.178 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c2ccccc2n1Cc1ccccc1F 408760354 XCZDMQLBAJJHLH-UYRXBGFRSA-N 488.360 6.445 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)c3ccc(C(F)(F)F)cc3)c2C)sc2c1CCCC2 408775837 VILVRXBOIKMZCZ-UYRXBGFRSA-N 484.543 6.904 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408791131 UOBLNPTYSRHBML-VXLYETTFSA-N 477.904 5.690 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)c1C 408809328 GYHGOUYQXNSVQM-UDWIEESQSA-N 461.905 5.990 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 408816155 SQNZASZDEICNOF-XYOKQWHBSA-N 458.257 5.716 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1ccc(F)cc1 408855609 HARSLHLXBBDVOY-LICLKQGHSA-N 451.841 5.512 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 408900635 XBGFCTCRAYHVHC-LICLKQGHSA-N 498.322 6.035 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 408982597 IEHCQXXUOLUALG-LSCVHKIXSA-N 485.342 6.574 50 40 JKGB O=C(N/N=C/c1ccc(-c2cccc(F)c2)o1)c1cc(Br)c(O)c(Br)c1 409016938 UKEJVYGJZRTPDI-LSFURLLWSA-N 482.103 5.080 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Cl)c1OCc1ccc(Cl)cc1 409050399 VIVIXFRHWBTHCL-MIAWKINXSA-N 475.416 6.248 50 40 JKGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 409124101 GTWZMQMTYQPBPP-HXUWFJFHSA-N 459.304 5.526 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)NC1CCCC1 409195441 UNDQQJIYAOPZLL-SXGWCWSVSA-N 494.216 6.301 50 40 JKGB Cc1ccc(/C=N\NC(=O)c2ccc(-c3ccc(C(=O)N/N=C\c4ccc(C)cc4)cc3)cc2)cc1 409335312 VAMCFBTUCNBWOW-CDSIFPFTSA-N 474.564 5.498 50 40 JKGB CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc21 1011192 LRJLDVJFMBTCOG-RWPZCVJISA-N 453.498 5.176 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3sccc3C)n2-c2ccc(Cl)cc2)cc1 1825531 GFWDDYXVPTVAFL-DHRITJCHSA-N 482.034 5.508 50 40 JKGB CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2F)cc(C(C)(C)C)c1O 13388125 ZFJRNCXQYHBSCJ-OQLLNIDSSA-N 473.386 6.434 50 40 JKGB N#CC1=C(N)OC2=C([C@@H]1c1ccc(Cl)cc1)S(=O)(=O)N(Cc1ccccc1F)c1ccccc12 20558506 UMIJUWVWHPWIJR-JOCHJYFZSA-N 493.947 5.006 50 40 JKGB Cc1ccc(OCCOc2ccc(/C=C(C#N)/C(O)=N/c3nc4ccccc4s3)cc2)c(C)c1 41108886 ZMRGPNFFYQKFAV-LTGZKZEYSA-N 469.566 6.566 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 59117513 GLHBCCBXMJHRSI-LICLKQGHSA-N 487.770 6.780 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCc1ccccc1 59198875 KKXXDDQENINCAZ-CIAFOILYSA-N 491.385 6.199 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3F)c(Br)c2)cc1 59335234 YFSPUBBAVXCDNC-ZDLGFXPLSA-N 499.767 6.675 50 40 JKGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 83299762 GTAFVEVJWVWALI-UJBXUPAJSA-N 453.970 5.110 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Br)cc1 209482906 TWIXLMTVKSMZSF-RGVLZGJSSA-N 468.778 7.063 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OC)c1OCc1ccccc1 408678010 WWJAHASQFXLQJA-TWKHWXDSSA-N 469.585 5.367 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(C3CCCCC3)c2C)c(Cl)c1 408743231 ZRDDJPAPWZSMFV-LQKURTRISA-N 451.014 6.435 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 408767294 ZAJHDXXBOWWYJZ-LGJNPRDNSA-N 456.329 5.083 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccccc1Cl 408780626 GPWSGMIFPGVRHT-MFOYZWKCSA-N 477.786 5.512 50 40 JKGB CCc1ccccc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(=O)(=O)c1ccccc1 408785076 XWMHTPSNEVKTRF-UHFFFAOYSA-N 497.705 6.221 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1 408794567 JOZJUSGCIMAPBS-UDWIEESQSA-N 461.905 5.990 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1cccc(Cl)c1 408803889 UKZJDODQOKOQJK-SRZZPIQSSA-N 495.406 7.134 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408826537 JSLCINRRUSFRMH-CPNJWEJPSA-N 467.352 6.517 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)c(Cl)c3)c(C)c2)cc1 408858207 QNQIGPIHOQCWOZ-CIAFOILYSA-N 465.380 7.043 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Br)C(=O)Nc1ccccc1F 408883685 RVRNQKSOJWGKQP-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1Cc1ccccc1F 408885367 YUWYWHXUSLPYNU-UDWIEESQSA-N 493.376 6.432 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)C(O)(c1ccccc1)c1ccccc1 408885660 DOKBWWZCUMLYLL-NDZAJKAJSA-N 470.956 5.305 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(OCc2cccc(F)c2)ccc2ccccc12 408891964 WMNVDYVCGFLMJK-KGENOOAVSA-N 470.931 7.065 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1 408962593 IGDXJQUODNCYGJ-WCMJOSRZSA-N 462.471 6.510 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCC#N)c(Br)c1 408983565 MJLUFRLJMZEYEY-QPEQYQDCSA-N 465.134 5.512 50 40 JKGB Cc1nnc(Sc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)cc2[N+](=O)[O-])s1 408987699 BQEHTSKNBHNMRT-RIYZIHGNSA-N 471.951 5.413 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)c1nc2ccccc2o1 409063643 DCQLSTWINOJHSS-RVDMUPIBSA-N 471.321 5.966 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409065737 MMESAIQQYGICGW-VCHYOVAHSA-N 460.873 5.831 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1 409069473 DAHINKGUHAMITO-ZMOGYAJESA-N 475.795 6.026 50 40 JKGB O=C(COc1cccc(Br)c1)N/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 409234370 VZAKZFCGNSJFMI-MZJWZYIUSA-N 480.337 5.120 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2cc(C)ccc2C)c(C)c1 409271037 JPWNHUDIBKVLKI-HZHRSRAPSA-N 453.542 5.483 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1OC 409327857 XHEDCDAAVCGXHY-MBTHVWNTSA-N 468.912 5.395 50 40 JKGB Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)[nH]c12 409395085 JRQWFNCLAYIUPB-UHFFFAOYSA-N 473.532 6.126 50 40 JKGB Cc1cc(C)c([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)c1COc1ccc(F)cc1 647872 IDOAFOKWRWFTTR-WNCULLNHSA-N 466.560 5.924 50 40 JKGB N#C/C(=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)S(=O)(=O)c1ccccc1 1780946 ZHNKDTAIVYPHKG-VFCFBJKWSA-N 487.584 6.545 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c1C 2161513 PUOWETYRZKGJSG-RWPZCVJISA-N 466.497 5.974 50 40 JKGB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 2276146 ISQNNUZPIXNZBZ-LDADJPATSA-N 492.553 5.163 50 40 JKGB Cc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)NC3=C2C(=O)CCC3)o1 2312598 PQAOKSFLELQGLF-OAQYLSRUSA-N 498.402 5.152 50 40 JKGB CC(C)(C)c1ccc(Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])cc1 2632645 CISOLLYJYKTRDM-XMHGGMMESA-N 499.523 6.001 50 40 JKGB CCCCCCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 2632736 RMXWWTALDSDMKJ-PTGBLXJZSA-N 466.585 6.669 50 40 JKGB Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)N/N=C/c2ccccc2OCc2ccccc2)c1 3060917 AZFFWTVODCIYSO-LMLUNKDASA-N 474.604 6.339 50 40 JKGB CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1 9434532 CFQDFJVSEVHVIA-NJZRLIGZSA-N 480.564 5.051 50 40 JKGB Cc1ccccc1N1CSC2=C(C#N)[C@@H](c3cccc(OCc4ccccc4)c3)CC(=O)N2C1 12251012 BNNWPHDTNDHHBX-XMMPIXPASA-N 467.594 5.794 50 40 JKGB CCCCc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 13689169 MTQSCXMGIDTFOQ-OAUQLRMZSA-N 481.621 6.094 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2n1Cc1ccccc1F 14152269 OWUIGCLCEIPNDI-XSFVSMFZSA-N 494.595 6.495 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccc(Cl)c(Cl)c1 20760465 HETQAHXXINXEBW-BHGWPJFGSA-N 465.178 5.927 50 40 JKGB Cc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 28215888 CXZKXNUNFWVVDG-DHRITJCHSA-N 470.436 5.549 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 34860887 PEIVJKHAHKJRTC-ZHZULCJRSA-N 473.504 5.096 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 38650316 GPSGMAIIAOMDRD-QFIPXVFZSA-N 467.308 5.439 50 40 JKGB CCOc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)CCl)[C@@H]3c2ccc(OCC)cc2)cc1 96400884 KOZISSCPCOFRQW-VLSXBJNMSA-N 452.982 5.846 50 40 JKGB COc1cc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3)N=C3CCCC(O)=C32)ccc1O 102883027 XEUKXKWRKXHMRM-QFIPXVFZSA-N 452.963 6.257 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@@H]1[C@H](c2cccs2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]12 245266581 KELPOQQQEFEIOE-MBOHLOIDSA-N 473.601 6.369 50 40 JKGB COc1ccc([C@@H]2[C@H](C(=C(C#N)C#N)C3CC3)[C@H]3c4ccccc4C=CN3[C@H]2C(=O)c2ccccc2)cc1 245283974 PKOCHAJLNMAWDA-VWPRMMSESA-N 497.598 6.441 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1F 408579527 HIRHPALRROKNDY-YBFXNURJSA-N 486.768 7.283 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1ccc2ccccc2c1 408599601 XFWLZGLVYOBTPQ-JVWAILMASA-N 459.343 5.945 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)CC2=O)cc1 408608815 PTZUVYBQJSTMTC-GOSISDBHSA-N 484.383 5.377 50 40 JKGB COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3)n2)c1 408723926 ANYVVCPSNNPXPF-NDZAJKAJSA-N 476.536 5.474 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1ccc(Br)cc1 408745576 STYNHTULCPHMIG-PDGQHHTCSA-N 478.302 5.482 50 40 JKGB N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccc2ccccc2c1 408752688 GAAZFJRIWFMHJF-WPWMEQJKSA-N 454.529 7.118 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(OCC)c1OCc1ccccc1C#N 408789309 ITXYZAOUCUTXJQ-JVWAILMASA-N 491.591 6.427 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1cccc(Cl)c1 408801738 BGVLQJFGYXQEGZ-VXLYETTFSA-N 467.352 6.435 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1Br 408808516 PYFFZSFLZRICEL-LUWSLJRTSA-N 482.216 5.378 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc(C)cc1 408811282 AVPMUPOVDUVSCD-ODLFYWEKSA-N 450.897 5.921 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)NCc2ccccc2)c1Cl 408812713 BTXCBYRWZQDCJL-FOWTUZBSSA-N 484.339 5.730 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OC 408835587 OFVAEWZUSBHSLG-XDHOZWIPSA-N 497.378 6.525 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2cccc(C(F)(F)F)c2)cc1 408842385 OMOTYCVGFDYXIR-UHFFFAOYSA-N 481.540 5.036 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Cc1ccccc1Cl 408870218 VWITUORGSAESAV-DEDYPNTBSA-N 451.353 6.529 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Cc2ccccc2F)c1 408874013 YOMYGPKWVWCEHT-XDHOZWIPSA-N 465.322 5.733 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccccc1Cc1ccccc1Br 408885326 ZKVOSYGELKZLOA-XSFVSMFZSA-N 465.778 6.547 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(OS(=O)(=O)c2ccc(C)cc2)c1 408891782 VHRPEWLYVYPEFJ-XDHOZWIPSA-N 496.972 5.279 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc2ccccc2c1 408924848 OWEFNKIBAKQSNZ-JVWAILMASA-N 459.343 5.945 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2n1Cc1ccc(Cl)cc1 408952639 ONXGZSXRJXOTOP-KQWNVCNZSA-N 493.010 6.399 50 40 JKGB COc1cc(/C=N\NC(=O)c2sc3c(Cl)c(OC)ccc3c2Cl)cc(OC)c1OC 408970038 ZCADMUJNJNIONH-AQHIEDMUSA-N 469.346 5.006 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1 408982952 JBRDFOZJAVBZNG-JAIQZWGSSA-N 481.379 6.825 50 40 JKGB CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1 409110734 GDPOKPJICFCSEV-OPEKNORGSA-N 483.417 5.097 50 40 JKGB O=C(N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)Nc1ccc(Br)cc1 409186768 HPVNXGTWWDLSDQ-NHDPSOOVSA-N 456.325 5.225 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccc(Br)cc1 409190192 MJRYAQKVOBTODV-YVLHZVERSA-N 489.797 5.656 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1Br 409234720 XQNHFDQUAPOZRZ-BOPFTXTBSA-N 488.307 6.421 50 40 JKGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 409273320 XCGLUTQLHYUGEB-WCMJOSRZSA-N 492.450 6.987 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)ccc1OC 409311705 HEKRCPPJUBTMDQ-QDTIIGTASA-N 491.346 5.883 50 40 JKGB CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)N(Nc3ccccc3)C3=C2C(=O)CCC3)cc1Cl 639253 MWHDAKRHDJKLCX-NRFANRHFSA-N 469.372 5.519 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(C)c1 1476884 JDZFEDUVUKDYCE-OQKWZONESA-N 462.553 6.101 50 40 JKGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2cc(C)ccc2C(C)C)cc1 2771560 SITZHKSIFQHMCT-OCSSWDANSA-N 466.585 5.809 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2cc(C)nc3ccc(C)cc23)ccc1OCc1ccc(C)cc1 6245060 AXDZWXVWLYNZHR-OKCVXOCRSA-N 499.636 5.990 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)c(Cl)c1 9187108 QPRMLHQHAMGNRM-WOJGMQOQSA-N 464.352 6.912 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 9204791 RXUMAKXEXMHYBG-OGLMXYFKSA-N 473.370 5.874 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3)o2)sc2c1CCCC2 9310711 CVPBPEFGJYPECO-NBVRZTHBSA-N 460.555 5.918 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)S(=O)(=O)c1ccccc1 13322266 XAACHIMHGMGVQS-HYARGMPZSA-N 477.383 5.790 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)s1 16492338 KPPFWCPHHADQJL-IBGZPJMESA-N 465.365 6.330 50 40 JKGB Cc1nc2c(-c3ccccc3)c(C)nn2c(Nc2ccc(Br)cc2)c1CCCl 27585323 OVBHROQICZLKFA-UHFFFAOYSA-N 455.787 6.301 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(I)c1)c1ccccc1F 34882642 ZEIYQVDSSIPPDZ-BOPFTXTBSA-N 489.715 6.727 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=C(\C#N)Sc2nc3ccccc3s2)c1C 35079566 JCVUGLXHDAANHQ-WOJGMQOQSA-N 452.004 7.023 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC 59336508 WZESUADLQROVDU-GDNBJRDFSA-N 480.189 6.429 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1)c1nc2ccccc2[nH]1 408603203 FCQKXTUEIXIHQM-WSDLNYQXSA-N 452.558 5.091 50 40 JKGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408606757 ATLGKKQQCLFQMK-FJEPWZHXSA-N 498.410 5.462 50 40 JKGB O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1 408608114 GMBVHAANIDVSCS-LUOAPIJWSA-N 494.737 5.454 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OC)c(Br)c2)cc1 408743874 HVIODUNROXORJK-JYRVWZFOSA-N 480.156 5.165 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408748030 XFGJGWDIISPDCG-JAIQZWGSSA-N 477.904 5.059 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 408759081 XMFSWMDBQMJMFT-CJLVFECKSA-N 484.533 5.162 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cccc([N+](=O)[O-])c1 408791973 FYEBASKWQYGKML-RGVLZGJSSA-N 491.931 6.080 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1 408814603 PUCIDTKYHQFHIV-CYEGBWLXSA-N 475.372 5.173 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2c(C)ccc3ccccc23)cc1Cl 408817713 WOMBMYPNKLHWGU-HZHRSRAPSA-N 466.968 7.235 50 40 JKGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 408841223 DHRUAUNOOAMNGF-DHRITJCHSA-N 478.917 5.479 50 40 JKGB N#CCOc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 408842762 KRBGHXLVQNBSQW-RWPZCVJISA-N 487.972 5.873 50 40 JKGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408845014 XOTDRZDMMDEWGK-YSURURNPSA-N 453.778 6.290 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1cc(C(=O)O)ccc1Cl 408852027 PXDABPQFWJWBCB-MTJSOVHGSA-N 486.959 5.193 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)c(OCC)c2)cc1 408867871 MICJYDHDZLDULL-PCLIKHOPSA-N 454.570 6.237 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)c(OC)c1 408868829 NJWBQMPYMCNPTP-FYJGNVAPSA-N 462.933 5.160 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c(OC)c1 408878897 DNAVFEYUVFYVMI-FYJGNVAPSA-N 462.933 5.160 50 40 JKGB Cc1ccc(Sc2oc(/C=N/NC(=O)c3cccc(N(C)C)c3)cc2Br)cc1 408908470 CRSXLPVNPUPPID-YDZHTSKRSA-N 458.381 5.332 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1)C(=O)NCc1ccco1 408988820 SJASFQYKMNGLPF-WUXMJOGZSA-N 476.670 5.087 50 40 JKGB CCOc1cc(/C=N/NC(=O)CCc2ccccc2)cc(Br)c1OCc1ccccc1 409043758 ZLDRLRZWGJCFGT-WPWMEQJKSA-N 481.390 5.510 50 40 JKGB N#C/C(=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1 409088990 GUZSOJQYXAEJFW-GDNBJRDFSA-N 487.821 6.605 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(F)cc1 409195287 TWLXLJGVQDVFAA-RPPGKUMJSA-N 491.744 5.593 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(F)cc2)N=C2CCCC(O)=C2[C@H]1c1ccc(Cl)cc1 2310776 UJCZXUMUNPAGGH-QFIPXVFZSA-N 467.953 6.120 50 40 JKGB Cc1sc(-n2c(C)cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)c(C#N)c1C 2936816 UGPJTQVTDRVDCR-OCSSWDANSA-N 482.609 5.030 50 40 JKGB CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1 9327503 VKCSFJJPSMMGNI-FOWTUZBSSA-N 454.349 5.726 50 40 JKGB COc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3cccc(C)c3)N(c3ccccc3C)C2=O)cc1 12273807 XNIPGTDLTNDTPA-IDJUBOEBSA-N 483.593 5.377 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)S(=O)(=O)c1ccc(F)cc1 13147620 GYKUZYXAFSNPLO-FYJGNVAPSA-N 472.335 5.506 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(Cl)c3Cl)nnc2-c2ccncc2)cc1 16712534 WSZVPBFIUWZTNO-UVHMKAGCSA-N 497.411 5.187 50 40 JKGB O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NN=C1CCCCCC1 20233116 VEGRRNABAWWAOE-UHFFFAOYSA-N 468.406 5.015 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(C(=O)O)cc1 32180683 XGKVFUOTVYEPLE-LDADJPATSA-N 464.319 5.101 50 40 JKGB N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 33770752 XLVHYOKBQAPDOX-YHYXMXQVSA-N 458.248 6.047 50 40 JKGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 33772998 DQTLUQQPUORBAJ-LGJNPRDNSA-N 456.329 5.295 50 40 JKGB Cc1c(/C=C(\C#N)Sc2nc3ccccc3s2)c2ccccc2n1Cc1ccccc1Cl 35074593 ZGPJYSKKUYJPFS-XMHGGMMESA-N 472.038 7.918 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1 58871329 TUHZYFRYGOXHKM-DHRITJCHSA-N 498.333 5.017 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(C(=O)O)c1 59250482 NXUHZXKEZYKEFJ-RPPGKUMJSA-N 473.312 5.043 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 59266297 PQWOSFLFQUIWMO-LICLKQGHSA-N 496.292 5.621 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccccc1Cl 207863493 JYUVTHJLSQECLQ-MOSHPQCFSA-N 489.959 5.529 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1nc2ccc(F)cc2[nH]1 408568264 IRLSHXNEPOEWGR-UYRXBGFRSA-N 453.904 7.152 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccccc2Cl)cc1-c1ccc(-c2ccccc2)cc1 408727322 VUPQUWLWVJXIMX-UZWMFBFFSA-N 490.994 6.932 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408794519 JJHIFFKYZKVOMZ-LZYBPNLTSA-N 492.189 7.425 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(OCc2c(C)ccc3ccccc23)c1 408800255 LECPQVWYKXKZND-PCLIKHOPSA-N 476.576 6.898 50 40 JKGB COc1ccc(C(=O)NNC(Nc2ccc(Cl)cc2)=C(c2ccccc2)c2ccccc2)cc1 408822547 NSQMEUVDVPFFHF-UHFFFAOYSA-N 469.972 6.112 50 40 JKGB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccc([N+](=O)[O-])cc4)cc3)sc2c1 408848069 WUENZOXCZZTQLW-LGJNPRDNSA-N 492.944 5.788 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccccc1Cl 408855856 FXDOYHJRPHFXAC-ROTLSHHCSA-N 470.754 6.020 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Cc1cc(C)cc(C)c1 408865988 FBXWTBLYIAOCKY-SRZZPIQSSA-N 465.380 6.755 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(Br)c2)cc1 408866240 GHDLAPWTSQZXNP-DEDYPNTBSA-N 495.804 6.638 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc2ccccc12 408879417 DHRLLWMDLVCULD-OKCVXOCRSA-N 493.390 6.888 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OCc2ccccc2Br)c1 408890783 ZBGNAARVAWBOLC-LDADJPATSA-N 497.776 6.236 50 40 JKGB Cc1cccc(CN(CC(=O)N/N=C/c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1 408969451 NQAXSWZWDISTMV-LQKURTRISA-N 498.048 5.113 50 40 JKGB COC(=O)c1ccc(/C=N/NC(=O)c2ccccc2NC(=O)C(c2ccccc2)c2ccccc2)cc1 408973911 CPCNEBAMTDBBPV-AJBULDERSA-N 491.547 5.008 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OS(=O)(=O)c1ccc(C)cc1 409074156 KOGOXTHPPFCWNM-XMHGGMMESA-N 459.527 5.102 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(O)cc1 409217383 BYZPYTLQJXYPQF-LFIBNONCSA-N 482.323 5.262 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1cc(C)ccc1C 409273348 XMSWUYKZQRFMMN-DEDYPNTBSA-N 489.959 5.529 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1OC 409321411 GFUHYAKUHAGNCE-MIXAMLLLSA-N 476.573 5.534 50 40 JKGB N#CC1=C(N)Oc2oc3ccccc3c(=O)c2[C@@H]1c1cccc(COc2ccc(Cl)cc2)c1 1073908 HWHPFYUEUQLHTE-JOCHJYFZSA-N 456.885 5.244 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(Br)c1 1083033 MJGUDUXJAXQNOD-XDHOZWIPSA-N 477.314 5.272 50 40 JKGB CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(O)cc1 2281940 PZERULUEGFFMGC-LFIBNONCSA-N 497.370 5.606 50 40 JKGB CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2cccc(C)c2C)=C(C#N)[C@@H]1c1ccccc1Cl 2312234 BBIHCQXVRYOLGN-FCHUYYIVSA-N 498.004 5.297 50 40 JKGB Cc1ccc(-c2ccc(/C=N\NC(=O)c3cc4c(ccc5ccccc54)o3)o2)c(Br)c1 8437557 REOFHAVMSKBUPD-VYYCAZPPSA-N 473.326 6.681 50 40 JKGB CC1(C)[C@]2(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)CC[C@@]1(C)C(=O)[C@@H]2Br 13646714 WJVDGQHEYIHWJJ-IUXNZNTKSA-N 454.368 6.199 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl 58913041 UVHHONZCLYURMG-OPEKNORGSA-N 463.752 5.143 50 40 JKGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CSCc2cccc(Br)c2)c1C 58926760 BQGARZJQDQITHH-DHRITJCHSA-N 470.436 5.549 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 59201392 VTYZSVBEDRBOJL-SFQUDFHCSA-N 451.309 6.067 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(C(=O)O)cc1 59336222 ZCNDCJLRVUZSSI-WQRHYEAKSA-N 497.334 5.825 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1 59336470 WGTGUOAOXGZWFF-QNGOZBTKSA-N 463.364 6.847 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1cccc2ccccc12 59534308 ILGDGPXRFHDQKK-HYARGMPZSA-N 454.551 5.712 50 40 JKGB Cc1ccsc1C=NNC(=O)CSc1nnc(SCc2ccccc2Cl)s1 239339095 LRLUJRBANKXICI-UHFFFAOYSA-N 455.055 5.096 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc5c(c4)C[C@H](C)O5)cc3)cs2)cc1 408710756 IWDUCXCHQYLXAA-OFSJGCFASA-N 468.582 5.949 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccc(O)cc1 408787768 FYYWBZOYVCQGCZ-LZYBPNLTSA-N 457.288 5.963 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408788941 GONVLARTBJNBQX-XSFVSMFZSA-N 494.378 5.277 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(Cl)c2)c1 408793553 FSUYSZGYHAUUJZ-ZVHZXABRSA-N 452.941 6.926 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408794855 TWFNNASRNDIMNV-QGMBQPNBSA-N 482.754 6.643 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1cccc(Cl)c1 408801176 RYURKKIAPKXUQQ-FYJGNVAPSA-N 490.943 5.650 50 40 JKGB Cc1oc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1Br 408867301 KJYDCTFKIPBQRH-FOKLQQMPSA-N 463.784 6.060 50 40 JKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Br)c1 408874860 DNQIVUWYZNVUID-CIAFOILYSA-N 463.350 6.342 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2F)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408877306 UNZRYVUMYWXFAN-PCLIKHOPSA-N 496.969 7.195 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(OC)c1 408878146 WZLFFBUDQBGXIG-FYJGNVAPSA-N 485.971 5.584 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408884712 YETJCIDVPONDMQ-LSHDLFTRSA-N 472.935 5.360 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408887620 POQNBBPHSUKTKS-KGENOOAVSA-N 483.911 6.526 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 408894535 IMOMLABEDDDTPB-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1cc(Cl)cc(Cl)c1 408926172 VSQLZJCHYXADTA-GIDUJCDVSA-N 489.746 6.508 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(Br)cc3)c2C)c1 408964990 FGSYTYLRNREPNP-QFEZKATASA-N 483.366 5.189 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OC)c1OS(=O)(=O)c1ccc(C)cc1 409065863 NWJDQWMRXQAYCK-RCCKNPSSSA-N 486.549 5.705 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)c2)c(C)c1 409256438 ORAZUFPOXWLMQK-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Br)cc3)c2C)cc1Br 409368673 HBPAFSDLDWPFSY-WYMPLXKRSA-N 489.211 5.691 50 40 JKGB Cc1cc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)c2cc(Br)ccc2n1 1033106 JOLMQMRBSITJES-GZIVZEMBSA-N 453.123 5.082 50 40 JKGB Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 2419796 INLUVTYIVDHHOL-BSSRNLCFSA-N 471.557 5.508 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(O)cc2)cc(Br)c1OCc1ccccc1Cl 8873213 JGQGPDSWSHUEGH-BRJLIKDPSA-N 489.753 5.160 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 12586092 DMKDEELOMUOBMI-LICLKQGHSA-N 469.328 6.163 50 40 JKGB COc1cccc(/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(-c3ccccc3)cc2)c1 12952819 VYIDHDYMAFIHDW-ZXVVBBHZSA-N 453.545 7.279 50 40 JKGB CC(C)(C)c1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2Cl)cc1 13881183 PZKFITZUPHKBKS-HMMYKYKNSA-N 478.976 5.912 50 40 JKGB C[C@@H]1C[C@@H](N(NC(=O)C(F)(F)F)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 16034595 BAMJKXHZEOGFMC-VGOFRKELSA-N 453.464 5.267 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OC(C)C)c(OCC)c2)cc1 20198041 ZSXGVWWCYZFJAI-ZVHZXABRSA-N 463.372 5.188 50 40 JKGB C[C@@H](CCC(=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 253617601 XNTZTQJAAZNSGD-NTOPOPOQSA-N 453.461 6.089 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1OCC 408539977 LGQOVWUOCLTSBZ-CEUNXORHSA-N 467.009 6.544 50 40 JKGB Cc1c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408567422 NDYUUGWPGRNUIB-PDGQHHTCSA-N 451.461 5.986 50 40 JKGB CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OCC 408724964 HRTYVXPBGYPVIU-BOPFTXTBSA-N 490.341 5.333 50 40 JKGB O=C(N/N=C\c1cccc(Br)c1)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2 408734202 AAILIBVPSAXBOX-ROTLSHHCSA-N 499.206 5.496 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 408754972 PJJDZDNWTSFRPB-CCVNUDIWSA-N 489.919 5.607 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(Br)c1OCC 408783097 NCQKODDWURUQID-AQTBWJFISA-N 486.410 5.638 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408790330 VROHYJRNTKRBHQ-LTGZKZEYSA-N 465.465 5.979 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408793225 DMBUGEUIRLOMDK-LICLKQGHSA-N 457.744 6.771 50 40 JKGB COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1 408796195 NKOIVDMRJOAPFC-VGOFMYFVSA-N 464.157 5.383 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Br 408798767 WVPMVYAOMGFWTG-AWNIVKPZSA-N 498.602 6.118 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)ccc1OC(C)C 408821687 AEKXLVIBWYFMDF-LFVJCYFKSA-N 470.569 6.306 50 40 JKGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1 408843778 NSAUHSVJBKCOFO-OGLMXYFKSA-N 468.582 6.191 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 408888300 YSWJFTZAHFRZHT-PXLXIMEGSA-N 490.581 5.324 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1O[C@H](C)CC 408946111 OWVACBFVOBGNGQ-UWLYNBDASA-N 493.785 6.189 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)c(F)c1 408965439 HLSMBHCDILLQFN-KKMKTNMSSA-N 486.728 5.456 50 40 JKGB C=CCc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(OC)c1OCc1ccc(F)cc1 409022927 IGFJRWQLBBVRLR-KYHGBAKBSA-N 499.542 5.219 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c(Cl)c1 409052434 HKXAQRLUHLREIN-LUOAPIJWSA-N 465.739 6.437 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1)c1ccccc1 409231752 MABATETWPSFPCM-SLCIXIPPSA-N 460.917 5.402 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1C 409260884 YANZTUOMWQCXRH-UNOMPAQXSA-N 494.378 6.173 50 40 JKGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(I)cc1 409374024 WUZFSAIDFFLPIY-RAXLEYEMSA-N 466.105 6.922 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1cccc(F)c1 409391525 IKDGFNMJHFHHON-XKZIYDEJSA-N 458.330 7.385 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1cccc(F)c1 2159700 BYXKTVGXVBOMKX-OKCVXOCRSA-N 468.484 6.077 50 40 JKGB c1ccc(P(c2ccccc2)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2P(c2ccccc2)c2ccccc2)cc1 2572369 LBNIIIAVAIZHKJ-QHNMYUOLSA-N 464.529 6.419 50 40 JKGB COc1ccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(C)cc1 2769647 DGGMWGMRHOXNRN-BVAGGSTKSA-N 450.542 5.176 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 2784834 HZFAWMWKBZHXRK-VCHYOVAHSA-N 497.334 5.825 50 40 JKGB COc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2912518 ZAPWEZURFSTTML-LGJNPRDNSA-N 474.395 5.570 50 40 JKGB CCCCCN1C(=O)/C(=N\NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c2ccccc21 6172804 CVEIZELOFLJJKP-GNVQSUKOSA-N 492.044 6.303 50 40 JKGB Cc1cc([C@H]2C(C#N)=C3N=C(N)c4c(sc5c4C4CCN5CC4)N3C3=C2C(=O)CCC3)c(C)s1 12445318 PKJHONGOPDCQMS-FQEVSTJZSA-N 487.654 5.189 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC2CCCCC2)cc1F 14360361 UGINFUXANZQMJF-OQKWZONESA-N 486.591 6.213 50 40 JKGB O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)N/N=C1\C(=O)Nc2ccccc21 26571016 VZAIVUQDCYEABF-UHFFFAOYSA-N 484.559 5.838 50 40 JKGB CCCCCOc1ccc(O[C@H](C)C(=O)N/N=C/c2ccc(OCCC)cc2OCCC)cc1 27062608 JWBJBNSIAFRWOG-VOHAGXJVSA-N 470.610 5.751 50 40 JKGB Cc1cc(C(=O)Oc2ccc(/C=N\NC(=O)[C@@H]3C[C@@H]3c3ccc(C(C)(C)C)cc3)cc2)ccc1[N+](=O)[O-] 30738590 ZJLJIUJLFZGTMJ-DLPRSZHDSA-N 499.567 5.674 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 33572639 IQGUXPNUQDZCHE-PDGQHHTCSA-N 481.415 6.559 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccccc1F 35153225 AOFWUGKBVUWBMM-XKJRVUDJSA-N 493.844 5.279 50 40 JKGB Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)C3=C(O)CCCC3=N2)c(C)c1 104091809 RTCVRPCNGLVKTC-VWLOTQADSA-N 471.626 6.562 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1 107845485 GTUYRXIQXFXDEC-AFUMVMLFSA-N 452.988 6.478 50 40 JKGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2C(C)=CC1(C)C 208517561 BRPJPRDSSZUOPL-ZDLGFXPLSA-N 454.401 6.869 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OC 408538340 LGTRAGFTORBKTO-JCMHNJIXSA-N 469.025 7.250 50 40 JKGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408608389 HHLRSZXCCFYXJK-MZJWZYIUSA-N 470.356 5.224 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc2ccccc2c1 408738482 ZFDOZOXRUTVTBG-JVWAILMASA-N 459.343 5.945 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(C(C)C)cc1 408752045 FNXVMEXXJALJCI-BKUYFWCQSA-N 462.391 6.526 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc2ccccc2c1 408790514 PUHXETUOENADMQ-JVWAILMASA-N 476.576 6.980 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc2ccccc12 408795459 VLTKQXQGRZQYCE-ZVHZXABRSA-N 496.994 7.243 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(OC)c2)cc1 408817868 XAKYMOJUSWWBCB-BUVRLJJBSA-N 484.552 5.613 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408818298 PJYRWLHUATYAEY-SXGWCWSVSA-N 498.764 5.754 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)cc(Cl)c1OCc1ccc(Cl)cc1 408820205 UNLWGJDJDFSAKM-RQZCQDPDSA-N 457.313 5.397 50 40 JKGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OC 408825130 JHVCJOBNPDEIPD-HYARGMPZSA-N 486.955 5.794 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2F)c(Br)cc1OCc1ccc(F)cc1 408853037 KSIZUMDFUFBQRT-UVHMKAGCSA-N 489.316 5.469 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)ccc1OCc1ccc(Br)cc1 408877816 YQZHIPYXTHXWSL-SQWKMMCISA-N 485.422 5.703 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1Br 408878729 AOLWVTOWIXDHRK-LDADJPATSA-N 497.776 6.236 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408882860 RFEKQUPZVSHNLB-KPKJPENVSA-N 473.228 5.615 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OCc1ccccc1Cl 408886340 KBVASVZUXJELGW-XDHOZWIPSA-N 477.904 5.690 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OC(=O)c1cccc2ccccc12 408892138 BIWROMQRTIWGMF-UZWMFBFFSA-N 488.543 6.375 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Br)c(Cl)c1 408965316 VQBQPFCVVUNNKP-LUOAPIJWSA-N 498.730 6.293 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)c1C 409045690 HCWKJOGUWBOZLR-VXLYETTFSA-N 485.798 7.388 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 409076719 BYZKXEUBDHWEST-OVCLIPMQSA-N 479.241 7.777 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409079989 KNOUTSHCVHYJGZ-LFIBNONCSA-N 483.402 5.960 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(O[C@H](C)CC)c(Br)c3)cc2c1 409187722 UEJOLQMTNPPCLH-GKBXUSSOSA-N 459.340 5.535 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl 409255759 IRYQXXOYMWHMAT-VCHYOVAHSA-N 482.323 6.292 50 40 JKGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1OC 409324932 WPMIDOXGEPBQCI-ZMFRSBBQSA-N 459.329 5.354 50 40 JKGB O=S(=O)(SCCCCSS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1721002 QCNGWZHGHASCOX-UHFFFAOYSA-N 471.474 5.318 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 1767471 RVTNFCVAERGSQP-CXUHLZMHSA-N 498.366 6.985 50 40 JKGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 2553666 MQJSGSYJLBCUKS-CPNJWEJPSA-N 451.979 6.030 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)sc(C)c1C 2669822 ZVQLGJPXRNJANB-KGENOOAVSA-N 460.555 5.666 50 40 JKGB Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 3036593 SMOIYPUIAOKOAF-KBKYJPHKSA-N 461.396 5.020 50 40 JKGB O=C(N/N=C/c1ccc(OC(F)F)cc1OC(F)F)c1ccccc1OCc1ccccc1Cl 3318710 QTOFLERVGSIKFT-XKJRVUDJSA-N 496.844 5.886 50 40 JKGB C/C(=N\NC(=O)c1ccc(CSc2cccc3cccnc23)cc1)c1ccc(C(C)(C)C)cc1 12601328 OUUZUVSFBLSWRN-AJBULDERSA-N 467.638 6.979 50 40 JKGB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCC(=O)c2ccccc2)N1 20029145 ZCCTVMUXGFAYNB-QHCPKHFHSA-N 481.017 5.994 50 40 JKGB C/C(=N/NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc(NC(=O)C(F)(F)F)cc1 22714229 UCJBQCBDMOBSQB-RAWMCFOBSA-N 478.323 5.268 50 40 JKGB CC(=O)Nc1sc(/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)nc1-c1cccs1 26771321 UKDQOMSELZREIJ-UKTHLTGXSA-N 486.405 7.461 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)n1 32115722 VQWFMCKKLNUJTB-DICXZTSXSA-N 456.571 5.068 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C(=O)O)c3)c(OC)c2)cc1 59248259 MVLMJRCNZIBUAE-XKZIYDEJSA-N 456.498 5.080 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)C(=O)Nc1ccccc1 59536461 ASNVXJIKVYPUIH-LDADJPATSA-N 467.750 6.227 50 40 JKGB O=C(N/N=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1cc2ccccc2o1 100221871 HWLZFYBUPOHHNI-MWLSYYOVSA-N 499.364 6.691 50 40 JKGB CCN1CC2=C(NC(N)=C(C#N)[C@@H]2c2ccc(SC)cc2)/C(=C/c2ccc(SC)cc2)C1 101081867 ULMXWQNSCKIHAV-KGEPOTPBSA-N 460.672 5.184 50 40 JKGB Cc1ccc(Oc2ccc(N3C(=O)[C@H]4C[C@@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)cc1 102067691 YFBVFRGPUZJOKR-SEXKYXSUSA-N 493.195 5.214 50 40 JKGB Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c(C)c1 216040466 KOAVLKRUJLMZGY-WGARJPEWSA-N 496.361 5.246 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1Br 408583024 QZQDJHALIWSBKL-OVCLIPMQSA-N 477.152 5.305 50 40 JKGB COc1cc(/C=N/NC(=O)CSCc2ccccc2Br)ccc1OCc1ccccc1 408719911 POEPEUQPQVWAJM-VULFUBBASA-N 499.430 5.420 50 40 JKGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c1 408740151 IYNKLUFBQCZHHQ-RDRPBHBLSA-N 453.590 5.332 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(I)c2)c(C)n1-c1cccc(Cl)c1 408752585 ILVZXBPFXPGEBW-FSJBWODESA-N 477.733 5.116 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC 408790521 PWMLLWGLWAYBAN-RIYZIHGNSA-N 494.172 5.712 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC 408793250 DPBUKDYNEDEGIG-HAVVHWLPSA-N 454.526 5.775 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(C)c(C)c1 408800014 MSZXOSPCGSPFEK-ZMOGYAJESA-N 489.015 7.097 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408834485 WGKRGXJMGDZKAD-XSFVSMFZSA-N 481.379 6.907 50 40 JKGB COc1cc(/C=N/NC(=O)/C=C/c2ccccc2)cc(Br)c1OCc1ccccc1Cl 408837543 IENRQCQCEKISMC-IESDDESDSA-N 499.792 5.854 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1Cl 408887778 UCBLFJJCGUWPLQ-LGJNPRDNSA-N 488.327 5.643 50 40 JKGB CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 408924235 MELDDNFLOCWBQM-CJLVFECKSA-N 495.966 6.576 50 40 JKGB CCCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)c2cc(C)ccc21 409035911 UQKPINIBIHLXSS-MZFJOGFUSA-N 490.607 6.656 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)cc1C 409073939 UVZPLOGFLLURIO-LDADJPATSA-N 472.907 6.377 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12 409210955 LZBWUUFMZWAZHC-UVHMKAGCSA-N 477.973 5.284 50 40 JKGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2ccc(Cl)cc2)cc1 409223594 HAYBZLXJHHDROH-RUDTZHBPSA-N 469.324 5.385 50 40 JKGB COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2cccc3ccccc23)cc1 409226941 WNONRVREELNAGX-OHAPREAQSA-N 484.939 5.885 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(OC)c1OCc1ccc(C)cc1 409231322 BVMPLWBJKOGTRQ-AWXAQXEGSA-N 466.581 6.096 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 409256456 LIENMCKEOSYVGD-KGENOOAVSA-N 487.531 5.404 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)cc1OCC 409314509 RQNHZVGHPXPSJN-GTWSWNCMSA-N 482.580 6.370 50 40 JKGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 409361754 HWPPXMUTLJZCJV-WCMJOSRZSA-N 466.972 6.058 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1cccc(OCc2c(F)cccc2Cl)c1 987153 SXLMSNRAYWNJHK-HXUWFJFHSA-N 478.936 5.728 50 40 JKGB Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3)c2C)ccc1I 1189074 XFPONKFVLGPKOG-CPNJWEJPSA-N 481.337 5.553 50 40 JKGB O=C(N[C@H](C(Cl)(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1Cl 3109616 KPPADFDZHWPDEU-FQEVSTJZSA-N 487.150 5.780 50 40 JKGB O=C(N/N=C/c1ccc(N2CCCCC2)cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 9851120 OIPIVQAKJUGBGQ-TWKHWXDSSA-N 456.634 6.300 50 40 JKGB O=C(N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2cccc([N+](=O)[O-])c2)cc1)c1cccnc1 13591085 UARJACGJMOYWMR-BIAHDLMSSA-N 490.523 5.109 50 40 JKGB Cc1nn(-c2ccccc2)c(O)c1/C(=N/NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 18191889 VSNLGFKUGHZUFP-CCFHIKDMSA-N 472.548 5.736 50 40 JKGB O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)NN(Cc1ccccc1)c1ccccc1 19892875 XOJWHRTZSDFLOU-UHFFFAOYSA-N 490.651 5.132 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)cc1 20197982 JIZHKTUJPFSKAW-OGLMXYFKSA-N 466.965 5.870 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Br)c1O[C@H](C)CC 33717929 MNCDRCLHDXQORV-KDVQLTRESA-N 487.350 5.269 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 35166812 LVAKHKHFPGDLLK-UVHMKAGCSA-N 477.775 5.927 50 40 JKGB Cc1ccc2c(C)c(C(=O)Oc3ccc4c(c3)OC(N)=C(C#N)[C@H]4c3c(F)cccc3Cl)oc2c1 38700595 OWKOHUDSFQCIOU-QHCPKHFHSA-N 488.902 6.280 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2F)cc1 59292092 LDSTYKITUCYJLJ-DEDYPNTBSA-N 479.349 6.275 50 40 JKGB CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 59336357 RDOUDEOEWKTDIV-HKWRFOASSA-N 481.427 6.793 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)ccc1OCc1ccccc1 59474296 SOFANBPRHZZGIR-NLTKLDOMSA-N 469.006 5.949 50 40 JKGB CC1(C)[C@]2(C(=O)Nc3ccccc3F)CC[C@@]1(C(Br)Br)[C@H]2Br 98046365 FDSGYGIVCKMGRA-XFBWCDHKSA-N 498.028 5.450 50 40 JKGB CCCCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(O)CCCC3=N2)cc1 102584603 CIWKGKNXYKKICX-DEOSSOPVSA-N 461.587 6.263 50 40 JKGB CC(C)[Si](OC1=CCC[C@@H]2NC(=O)[C@@H](Cc3ccc([N+](=O)[O-])cc3)[C@]12C)(C(C)C)C(C)C 195773211 YDMXKIHCINZRAJ-SLSDLSHTSA-N 458.675 6.128 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1Cl 408603957 HPSQORBZWJKAKM-KKMKTNMSSA-N 490.774 5.623 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccc(Cl)cc4Cl)c3)CC2=O)cc1C 408609770 RXVJYJUOPNJEKW-LJQANCHMSA-N 498.410 5.685 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 408762371 AVKXDFVRWSZLAF-JXAWBTAJSA-N 461.315 5.522 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc(Br)c1OCC 408764434 IPTZOWQJBDMKAO-YBFXNURJSA-N 465.347 5.945 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(OC)c1OCc1ccccc1 408772491 LYUXWFKFWVBOKC-XYGWBWBKSA-N 482.580 6.336 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)cc1 408779074 QIHXFOWMUONIRB-UNOMPAQXSA-N 482.367 6.123 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccccc1 408791957 FSHZBKIUNHJEPJ-FYJGNVAPSA-N 491.385 6.281 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C 408800687 QQQTUQRGZNZRPN-VCHYOVAHSA-N 454.357 6.264 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OCc2ccc(Br)cc2)c1 408813548 XWJDJDODWBTLQQ-CPNJWEJPSA-N 463.331 5.582 50 40 JKGB N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccc(O)cc1 408814939 ZVRLPIZVBBYKAT-HKOYGPOVSA-N 470.528 6.823 50 40 JKGB CC(=O)Oc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1 408842714 ASXQPVMABXYREI-ZMFRSBBQSA-N 494.345 5.292 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc(F)cc1 408858194 XNOSSUCBVOLGKF-LQNQUEJISA-N 472.516 6.042 50 40 JKGB Cc1ccc2nc(C)c(C(=O)N/N=C/c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)n2c1 408870426 DKIZFYWSRVNYHY-KBKYJPHKSA-N 454.361 5.429 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3Cl)ccc3ccccc23)c1C 408875320 JKNGSZYHLWZQKO-JJIBRWJFSA-N 450.969 7.247 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1c(Cl)cccc1Cl 408881964 MQSRDYVGNHWDOX-LFIBNONCSA-N 471.727 6.412 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1c(Cl)cccc1Cl 408893443 GDIDDLIKBBWZIX-CCVNUDIWSA-N 487.383 6.052 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408894029 IHWIRDCRYBNAMI-VCHYOVAHSA-N 482.323 6.335 50 40 JKGB Cc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4cc5cc([N+](=O)[O-])ccc5o4)o3)[nH]c2c1 408962505 SPPKTZFLCVDWSP-FOKLQQMPSA-N 461.459 5.034 50 40 JKGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc2Br)cc1 408989274 TYQJUNXTZBXZQU-NDENLUEZSA-N 495.804 6.844 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409216566 JJGDISNKPQTJEL-ZDLGFXPLSA-N 465.849 5.808 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)c(C)c1 409257679 UEVLFPYDLNRCIV-XDHOZWIPSA-N 494.378 6.173 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccccc1 409310061 PRHZRVOQDXDVHH-DICXZTSXSA-N 468.937 5.099 50 40 JKGB C=C(/C(C#N)=C/c1ccc(C(=O)OC)cc1)N(Cc1ccc(Cl)cc1Cl)c1ccccc1N 409330993 BFXGCLQTOMKKSF-FYJGNVAPSA-N 478.379 6.490 50 40 JKGB C[C@]12CC[C@@H]3c4ccc(O)cc4C[C](CCCCCCCCCBr)[C@H]3[C@@H]1CC[C@@H]2O 1560406243 PBXIXCPGQIGXQF-KQZFZZGISA-N 476.519 7.309 50 40 JKGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](C5(CBr)OCCO5)[C@@]4(C)CC[C@@H]32)C1 2049238369 MSDUUFXAHQPGOH-DAMCVVMBSA-N 481.471 5.635 50 40 JKGB N#C/C(C(=O)Nc1cccc(Cl)c1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2322604 ADQZLMNLUYGBHE-JSIHEXFSSA-N 477.948 5.544 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)sc2c1CCCC2 2348222 ATLWTIBIHSBIQJ-DTQAZKPQSA-N 480.973 6.263 50 40 JKGB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 3038825 RJBRQYOJEUMVIQ-NUGSKGIGSA-N 468.680 5.344 50 40 JKGB Cc1ccc(NC(=O)N(NC(=O)NC2CCCCC2)c2nc(-c3cccc(O)c3)cs2)cc1 8754533 YYWBGNBPVSQDCY-UHFFFAOYSA-N 465.579 5.410 50 40 JKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2cc(/N=N/c3ccccc3Cl)ccc2O)cc1 10059259 LDPXPOPKZDEWMT-NJEFAWRZSA-N 464.953 6.504 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-] 12555870 ZHPREKKZFMVNEN-HMMYKYKNSA-N 483.911 6.526 50 40 JKGB Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(C(C)C)cc3)cc2)S(C)(=O)=O)cc1C 20059253 LVBYUFYJEPWJKR-OGLMXYFKSA-N 477.630 5.157 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 34689689 ZSOVSEMRNIBHRM-OCKHKDLRSA-N 464.861 5.598 50 40 JKGB Cc1sc2nc(/C(C#N)=C\c3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)nc(O)c2c1C 35079554 BEUAXTSCPCYFIH-DHDCSXOGSA-N 462.462 5.918 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1cccs1 58979971 SUOYBUQIJFFGIC-LQKURTRISA-N 489.984 5.997 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccccc1 59117401 CPYUUZGAXZMXHD-GZTJUZNOSA-N 467.308 5.767 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1 59133364 HJEYLVROSWXFJW-FYJGNVAPSA-N 461.359 6.191 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cccc(Cl)c1 59254502 UMSICPTUHKGNMN-VCHYOVAHSA-N 486.877 6.492 50 40 JKGB CC(C)(C)c1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc(C(C)(C)C)c1O 98087149 KLTLROVGXSTLRA-KBVAKVRCSA-N 483.612 5.606 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)Sc1nc2ccccc2[nH]1 408598513 BXNYOLKVDGWNMV-GXDHUFHOSA-N 467.304 6.150 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1cccc(Br)c1 408759287 BJQQJLASWMYEAD-PDGQHHTCSA-N 467.750 6.227 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc4ccccc4c3)cc2)c1 408762301 JWZBWOJONXINRT-XQNSMLJCSA-N 498.560 5.552 50 40 JKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)cc2)c1 408766238 ARXKCJFJWPSNBF-QQXSKIMKSA-N 462.549 6.752 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1C 408787610 CPPJXDHRDMHOBY-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(F)cc1 408787757 FUJWCXYPXYRAQN-RGVLZGJSSA-N 464.924 6.229 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)c1ccccc1 408818966 ZDJYOHJEBBNDMR-CQHJRZBDSA-N 459.933 5.142 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 408871291 XNZDMXVORKUICN-PXLXIMEGSA-N 472.466 6.983 50 40 JKGB Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1 408882797 SGVJNVOKKGSUGA-BUVRLJJBSA-N 480.995 7.543 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1cccc(Br)c1 408966322 ZSAZEPLYLWEJQE-RPPGKUMJSA-N 464.285 5.639 50 40 JKGB O=C(N/N=C\c1ccc(Br)cc1)c1sc2cc(Cl)cc(Cl)c2c1Cl 408974581 ZWDFTVSJHPFOOG-YXSASFKJSA-N 462.583 6.388 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)cc(I)c1O 408985362 KMKDQCSLDMDGTA-WZUFQYTHSA-N 473.097 5.158 50 40 JKGB Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 408997098 RBSXERWHQKCUPE-RHANQZHGSA-N 457.961 6.090 50 40 JKGB CCCOc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1 409038191 ZUFPBUHRSIYGJS-OGLMXYFKSA-N 470.598 6.415 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OC)c1OCc1ccc(Cl)cc1Cl 409072034 UIAQLHZTACYOSV-UDWIEESQSA-N 491.374 7.515 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1F 409135887 QZPQMYLMQXMBGN-HSZRJFAPSA-N 481.955 5.187 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3c(OCc4ccc(Cl)cc4)ccc4ccccc34)cc2c1 409187847 VAMNXGDVCFTGKN-LJUMEUDFSA-N 498.966 6.981 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCc1ccc(Br)cc1 409198816 FRXBENVXRWQPND-ZVHZXABRSA-N 473.392 5.181 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1ccccc1C#N 409240013 PFLIZNCIUHNKPG-BKUYFWCQSA-N 484.481 6.434 50 40 JKGB Cc1c(/C=N\NC(=O)Cc2ccc(F)cc2)c2ccccc2n1Cc1ccc(Br)cc1 409242218 VQFUWHKHJZJTEE-MBTHVWNTSA-N 478.365 5.592 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2)c(Br)c1)c1ccccc1 409242941 WWAZNYNKDNGXKF-CTPANLQCSA-N 495.804 6.466 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1OCC 409310832 WWAUOEOKYNQKMV-MWLSYYOVSA-N 484.955 6.010 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1Cl 409364201 NMYRDOIDRYQKJY-FDVSRXAVSA-N 485.411 6.281 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 953466 GYSKSMWNFYIAIX-YBFXNURJSA-N 481.335 5.445 50 40 JKGB CCc1c(C)sc(N2C3=CCCCC[C@@H]3C(C(F)(F)F)(C(F)(F)F)C(C#N)=C2N)c1C#N 2050162 ILNKTDBASFINNG-AWEZNQCLSA-N 474.474 6.190 50 40 JKGB Cc1cc(C)c([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(Cl)cc1 2726832 ANWPMWPXPFDRDA-BVAGGSTKSA-N 468.988 6.129 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 8721615 RTEOUQDYTDLWER-JCFYCSFDSA-N 473.598 5.014 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCCOc1cccc(OC)c1 9679571 PAWRPWQEFHWZEB-CJLVFECKSA-N 472.541 5.406 50 40 JKGB N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@@H]1c1ccc(Br)cc1 9693424 IVCDWBQHHVEXDB-QGZVFWFLSA-N 460.784 5.322 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 12555279 FOMFXYTZYXOIBX-CAOOACKPSA-N 457.744 6.771 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccccc1 20760936 NGHLQSSGWWVULZ-VULFUBBASA-N 487.781 5.844 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1Br 35213032 PLAYPHPGKHRYEL-AUWJEWJLSA-N 474.742 5.293 50 40 JKGB N#CC(=C\c1cn(CCOc2ccccc2Cl)c2ccccc12)/C(O)=N/c1nc2ccccc2s1 41120709 IZWSEVXZWMPNHB-OBGWFSINSA-N 498.995 7.179 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H](C)Sc3ccc(Cl)cc3)o2)cc1 58915832 GPJBUCZMAJARPB-CAUYNWHBSA-N 456.951 5.408 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccccc1Cl 59034385 SIOIBHBUQCXEEV-MZJWZYIUSA-N 495.988 5.701 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C 59104828 DZTXOSCUIPCWNZ-BKUYFWCQSA-N 472.976 5.503 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1OCc1cccc(Cl)c1 59297452 NTUKVNMXBSGDOJ-LDADJPATSA-N 463.877 5.381 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1Cc1ccccc1Cl 59336401 FSLUUNUYBCQGBT-AQTBWJFISA-N 494.809 7.504 50 40 JKGB Cc1cc(OCc2ccc(C(=O)NNC(=O)c3cnn(C(C)C)c3C(F)(F)F)cc2)ccc1Cl 68823616 PQPVTXHEPPHIOT-UHFFFAOYSA-N 494.901 5.098 50 40 JKGB CCCCCCCCOc1ccc(-c2cc(C(=O)N/N=C/c3c(C)[nH]c4ccccc34)[nH]n2)cc1 100168025 BXZOYINSQPXQGN-VUTHCHCSSA-N 471.605 6.370 50 40 JKGB N#C/C(=C\Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2cccc(Br)c2)cs1 100843754 DWIMSAHLAGEYBK-FMIVXFBMSA-N 484.728 7.221 50 40 JKGB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@@]21C 118915919 XDHSPKUJYNEBHS-MVFQMXDHSA-N 481.471 5.308 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)c2ccc(C(=O)O)cc2)cc1Br 408541306 FWKYFICNHYBGOY-OVCLIPMQSA-N 463.125 5.539 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1 408582970 QCRXMHCEKCCOHJ-YBFXNURJSA-N 467.352 6.392 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(F)cc1 408735441 RXMQKZFEVNLDOX-DEDYPNTBSA-N 464.924 6.311 50 40 JKGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)o2)cc1 408748003 WYKQKSXHTVHKMK-VBKFSLOCSA-N 451.276 5.041 50 40 JKGB N#C/C(=C\c1cn(Cc2cccc(F)c2)c2ccccc12)C(=O)Nc1ccc(Br)cc1 408787971 HVRJUQJIJZLUEL-QGOAFFKASA-N 474.333 6.137 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(C)cc2)cc1 408802634 ZPXNABFCXANCHW-HZHRSRAPSA-N 470.525 5.305 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(OCc2cccc(Cl)c2)c1 408811657 VZTZUCRTFQBNBE-XDHOZWIPSA-N 467.352 6.435 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1ccccc1F 408820440 WCBNFCKRIABRFP-BOPFTXTBSA-N 464.327 6.681 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408843393 FEERMKPKVVCKNU-KKMKTNMSSA-N 461.776 6.607 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccncc2)c(Br)cc1OCc1ccc(Cl)cc1 408847668 QZBMKRLGQPDJRG-LGJNPRDNSA-N 488.769 5.239 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(OC)c1 408867524 LEXGICUMXUPLEK-CXUHLZMHSA-N 457.313 5.494 50 40 JKGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408879636 CAYVGSUIGONFRT-WLRTZDKTSA-N 470.150 5.126 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OC(=O)c1ccc(Cl)cc1 408893325 DXNFVSOKLMBRTL-RDRPBHBLSA-N 487.943 5.513 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1cccc2ccccc12 408896141 PGGMUQAXRLDWBU-OKCVXOCRSA-N 493.390 6.888 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OCC)c1OCc1ccccc1 408963334 NEDQWNZEBTXDPU-KBVAKVRCSA-N 482.502 6.176 50 40 JKGB COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)c1 408982548 HOMKLMWRPIIQIP-GRSHGNNSSA-N 482.367 6.042 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccccc2)o1)c1ccc(Cl)cc1Cl 409002367 NKLFNCPEQRSJSM-WQLSENKSSA-N 451.172 7.564 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 409045606 GPNIJXXPJZAFHQ-RQZCQDPDSA-N 459.716 7.198 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccccc1F 409128831 ULROLAXDRVFNPM-QFIPXVFZSA-N 497.320 5.100 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccccc1 409234645 OJRIADNWMQGMAE-JLPGSUDCSA-N 474.988 5.974 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 409239230 CNZHSBUGEQRDFX-MDWZMJQESA-N 461.783 6.073 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2)c1C 409255541 HTSOTWKXPKYGSV-XSFVSMFZSA-N 459.933 5.520 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1OCC 409313912 DKESDCCRCPCPCJ-MWLSYYOVSA-N 484.955 6.010 50 40 JKGB CCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1OCC 409317341 PBMQCVVDIDHHNO-MYYYXRDXSA-N 493.398 5.198 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(I)cc2)ccc1OCc1ccccc1 409368677 HKJDYQBACNQHNA-MOSHPQCFSA-N 467.306 5.943 50 40 JKGB Cc1ccccc1OCC(=O)N/N=C/c1ccc(SCC(=O)Nc2ccc3ccccc3c2)o1 1433964 GCQPLVAONNNHNK-JFLMPSFJSA-N 473.554 5.001 50 40 JKGB CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1 2246439 ABLCMVJOXAFKBD-OQKWZONESA-N 482.609 6.248 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccco2)c(Cl)c1 2315173 IGIDDJBCSGNNPU-GAHYTTKTSA-N 487.737 5.387 50 40 JKGB O=C(NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1)c1ccc(Cl)cc1 2451047 FJEXFNWVLMEJBG-UHFFFAOYSA-N 453.727 5.470 50 40 JKGB N#CC(C#N)=C/C=C(\Sc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 2572977 MXMACYWFVQBHPD-FXBPXSCXSA-N 458.814 7.484 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2C)c2ccccc2)cc(Br)c1O 8861182 QNUOIXMHLMMGFT-BOOTZKDASA-N 481.390 5.338 50 40 JKGB CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 8916884 UXPHAHABLWVIIB-LFIBNONCSA-N 453.365 5.184 50 40 JKGB Cc1c(/C=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 9187439 FEFNMGHVTLWYKO-LDADJPATSA-N 475.508 5.258 50 40 JKGB N#C/C(=C\c1cc2ccccc2nc1N1CCCCC1)S(=O)(=O)c1cc(Cl)ccc1Cl 13096508 DHFJTVGYSVGYDZ-CPNJWEJPSA-N 472.397 5.870 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)o1 14407531 PGRMXJQJAFEASR-FOKLQQMPSA-N 492.167 5.456 50 40 JKGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1nnc(NC(=O)c2ccccc2)s1 16157703 MXIAKQKWLZIZEQ-UVTDQMKNSA-N 477.889 5.676 50 40 JKGB C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1C)c1ccc(NC(=O)c2cccs2)cc1 20352736 LMOXMDCWKHYCAH-WPWMEQJKSA-N 469.994 5.662 50 40 JKGB CC(C)N1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 20528785 RZGCUOJSWGLQEA-XMQQHFNTSA-N 452.385 5.863 50 40 JKGB CC(C)(C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(Br)cc3)o2)cc1 23411023 AKTXFMXKKXRPTN-QFEZKATASA-N 455.352 5.536 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)ccc1OCc1ccccc1 31906016 XZEKGTHSBKTGEN-NHDPSOOVSA-N 468.534 6.191 50 40 JKGB Cc1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3ccccc3)c2-c2ccccc2)cc1 33347457 WIEUDGHUJUWOKE-JDCMOKTRSA-N 455.561 6.884 50 40 JKGB CN(c1ccccc1)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 34782517 RIJWKJFYGVAVSF-ATVHPVEESA-N 466.419 5.927 50 40 JKGB C/C(=N/NC(=O)CSc1cc(C)c(Br)cc1C)c1ccc(-c2ccccc2)cc1 35077414 BLQLOCKLQYNLHQ-ITYLOYPMSA-N 467.432 6.365 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(Cl)cc1 58835124 MAJLECAKJWSHEY-STBIYBPSSA-N 458.945 6.235 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 59266567 USAXGLPTLFQNGM-LDADJPATSA-N 453.325 6.127 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Br)cc3)cc2)cc1 59499241 AZOQSIIMMXPKMI-WPWMEQJKSA-N 480.406 5.638 50 40 JKGB FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(Br)(Br)CBr 95676953 LEHFCMSFGKMRKH-UHFFFAOYSA-N 484.776 5.336 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 100195037 QSSOQKXARRPUQE-NVMNQCDNSA-N 480.440 5.304 50 40 JKGB CC(=NNC(=O)c1ccc(NCc2ccc(Cl)cc2)cc1)c1ccc(Br)cc1 254379382 WEDRPXNOJVOLBM-UHFFFAOYSA-N 456.771 5.869 50 40 JKGB CCCCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 408539289 VDFJQSMMAZLRCA-GHRIWEEISA-N 461.787 6.607 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)ccc1OCc1ccc(Cl)cc1 408719248 OJWHVMZADSHVQJ-UPHQNKNSSA-N 483.033 6.090 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)Nc1ccc(Cl)cc1 408746630 UIZCACRQLZTZOH-ODLFYWEKSA-N 492.760 6.099 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408787197 UMYQCGNWBJFPND-STZFKDTASA-N 498.470 6.906 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2sc3c(c2C(=O)OC)CCCC3)c1C 408789511 LSHFIPYHMHEIQJ-QNGOZBTKSA-N 487.625 5.929 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Br 408793260 DQAPBDBIFNPDEM-OQLLNIDSSA-N 474.152 5.078 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(OCc2cccc3ccccc23)c1 408797873 HGBGMWOSOBORFJ-PCLIKHOPSA-N 462.549 6.590 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(Cl)cc2)cc1 408799999 MNSUUPGVCJFRLW-KGENOOAVSA-N 490.943 5.650 50 40 JKGB COc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 408839712 VOODLZBRWXLZKQ-UVHMKAGCSA-N 497.407 6.633 50 40 JKGB O=C(N/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cc2cc(Br)ccc2o1 408845909 NNOYWXKWEMIJKH-VROXFSQNSA-N 478.129 6.526 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cn(CC(=O)O)c3ccccc23)cc1 408850275 JXKDCXFEENLKKX-LQNQUEJISA-N 476.536 5.256 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)c(OC)c1 408869296 QQNUHMSEHUMBDT-ZVHZXABRSA-N 457.574 5.458 50 40 JKGB N#C/C(=C\c1c(Cc2ccccc2F)ccc2ccccc12)C(=O)Nc1ccc(Br)cc1 408875936 MMPXHESUAQAVFO-LTGZKZEYSA-N 485.356 6.878 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2)c([N+](=O)[O-])c1 408886722 INJHJPQMWOFVTB-RQZCQDPDSA-N 498.322 6.035 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 408893270 DLQXWTFYSZSEPM-MHWRWJLKSA-N 451.523 5.450 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1cccc(Cl)c1Cl 408964277 QJYYAWJVEWSSMP-LUOAPIJWSA-N 454.279 6.184 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1Cl 409050880 BWTLCJINOXFCHZ-RPPGKUMJSA-N 492.200 6.407 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)c1 409219241 OSCJSEJOYVGACQ-LDADJPATSA-N 480.351 5.865 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)cc1 409226431 WDIXTAZNNNMLLV-RGEXLXHISA-N 475.932 5.302 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1OCC 409305326 VNOZPPACOFSSDH-RHANQZHGSA-N 478.976 5.955 50 40 JKGB Cc1cc(Br)ccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1 409315512 VWDXGDLBRQYQEJ-MRXNPFEDSA-N 490.810 5.122 50 40 JKGB Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccc(C(C)(C)C)cc3)s2)cc1 1835100 GEOJNNDBWBUEAS-ZMOGYAJESA-N 470.689 5.679 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OC(=O)c1ccc(Cl)cc1 2078264 ISOOJPSEFTYBDG-JFLMPSFJSA-N 466.921 5.039 50 40 JKGB Cc1ccc(NC(=O)[C@@]23CC[C@@](C(Br)Br)([C@H]2Br)C3(C)C)cc1 2666643 REKYONRMOXMTDQ-OAUYIBNBSA-N 494.065 5.619 50 40 JKGB CSC1=C(C#N)[C@H](c2ccccc2Cl)C[C@@](OC(=O)c2ccccc2)(c2ccccc2)N1 3670794 CQSZTXJDLPGIHZ-HFZDXXHNSA-N 460.986 6.225 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1 4008332 HEVYAIXGTZNHPG-XMMPIXPASA-N 488.544 5.125 50 40 JKGB CC[C@H](Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(NNC=O)cc1 4015996 OECVCYPIABDSEN-QHCPKHFHSA-N 453.627 5.931 50 40 JKGB O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1 13068504 LPMDVDSCJOGNMR-IPPBACCNSA-N 474.347 6.071 50 40 JKGB C/C(=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 13523728 JWBCHAFHEPXTNQ-ZTKZIYFRSA-N 465.509 5.995 50 40 JKGB Cc1cc2c3c(c1)[C@]1(C(=O)N3C3(CCCCCC3)CC2(C)C)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2 14162288 LVYSGLNMPNDHFH-HKBQPEDESA-N 499.655 5.721 50 40 JKGB CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1 16713661 RHEFKPGUEHVHQT-LYBHJNIJSA-N 494.595 6.315 50 40 JKGB Cc1cc(C)c(OCC(=O)N/N=C\c2cc(/N=N/c3ccccc3)ccc2O)c(Br)c1 20100998 WEHOPYABJRDQKM-KZSOXHEQSA-N 481.350 5.716 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCc2cccc3ccccc23)=C(C#N)[C@H]1c1ccccc1Cl 20189225 XWXCLJVXTPDLLR-AREMUKBSSA-N 487.024 6.852 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@H]1c1ccccc1Cl 20348463 XCVUEBAWIAKNLR-XMMPIXPASA-N 494.016 5.446 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1C 27018814 XOGMAEFIDWUSTA-XIEYBQDHSA-N 476.580 5.860 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(C)cc1 33556356 YLWCAIMQYDREBV-NDENLUEZSA-N 477.358 5.891 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 59245254 ZHNYKBPFPAYLFY-NTUHNPAUSA-N 469.257 5.421 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 59336310 FGHSRTDTSCSCFM-DHDCSXOGSA-N 488.758 6.298 50 40 JKGB C/C(=N\NC(=O)c1ccc(CSc2ccccc2)cc1)c1cccc(I)c1 59473127 WERJVIJFIYABSZ-LFVJCYFKSA-N 486.378 5.738 50 40 JKGB CCCCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 101179519 VDWOIEIEZKCJLD-CYVLTUHYSA-N 471.538 5.850 50 40 JKGB Cc1cc2c(cc1/C=N\NC(=O)COc1ccc(Cl)cc1Cl)[C@H](C)CC(C)(C)N2C(C)C 223595581 CLWQYJFWUVXVCI-XGSJIYHZSA-N 476.448 6.332 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408543292 ORBBWTXDVJALLH-JAIQZWGSSA-N 468.336 6.733 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc(C(=O)O)cc1 408544876 VTLDUYAIYWNFJZ-NVMNQCDNSA-N 458.728 6.988 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1nc2ccc(F)cc2[nH]1 408566536 HMVSQFUSPYZSBD-UUASQNMZSA-N 483.286 6.560 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 408745820 PJSVQPQCCIKORU-YVLHZVERSA-N 471.315 6.266 50 40 JKGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc4ccccc4c3)cc2)cc1 408759891 NMWQEGMFZWEEGM-XQNSMLJCSA-N 477.520 5.412 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1 408787550 BSQDSHHRJLTYSH-HZHRSRAPSA-N 452.941 6.926 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1 408792792 CGVITQBKZDEVAQ-YZSQISJMSA-N 476.532 6.141 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccccc1F 408793095 CZMMSSZPSKRMDJ-WOJGMQOQSA-N 466.896 5.708 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)cc1Cl 408814211 OIAGFUOKBRLSBT-KGENOOAVSA-N 497.938 6.835 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408814306 OXAKUMOGRZQURQ-LDADJPATSA-N 463.877 5.381 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cc(C)cc(C)c2)cc1 408878537 BSIFPZHMHUSAKE-OEAKJJBVSA-N 489.413 6.753 50 40 JKGB COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)o2)c(C)c1 408903846 AFQWQJKUONENHC-MSXFZWOLSA-N 470.323 5.268 50 40 JKGB CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1cccc(C)c1 408904004 CEJFNJYRSIIAHU-DICXZTSXSA-N 496.405 6.199 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1nn(-c2ccccc2)c(N)c1C#N 408975698 LTRLWFAFJGVKBZ-YBFXNURJSA-N 486.362 6.276 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccc(C(=O)O)cc1 409389088 AIALOMBTHWTXSN-OCKHKDLRSA-N 482.305 5.938 50 40 JKGB Cc1cc(Cl)ccc1OCc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)sc1C 650689 UUMMXCYSZVFJNO-QFIPXVFZSA-N 469.006 6.048 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc(Br)c1OC 1101137 HXXSJJJUHJBWSN-FQEVSTJZSA-N 451.320 5.228 50 40 JKGB Cc1c(Br)cc(NCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1Br 1950236 RIMZJFRYCJZEBV-QPJQQBGISA-N 494.014 5.389 50 40 JKGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1 2257445 MSEOGHYOSZHLQL-MZJWZYIUSA-N 463.324 5.587 50 40 JKGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)NC2=C1C(=O)CCC2 2312554 WDNFVRKOIBDGSJ-AREMUKBSSA-N 487.625 5.503 50 40 JKGB C/C(=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(NC(=O)c2ccncc2)cc1 8454256 UWJWWWNGLNEXMB-QXUDOOCXSA-N 485.547 5.703 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 9057508 APPJDTBZSVFKAI-GZTJUZNOSA-N 451.841 5.512 50 40 JKGB CCc1ccc(N2CSC3=C(C#N)[C@H](c4cc(Br)ccc4OC)CC(=O)N3C2)cc1 9693456 CQFYETPTJKSFGC-SFHVURJKSA-N 484.419 5.240 50 40 JKGB COc1cc([C@H]2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)ccc1OCc1ccccc1 9693530 QLSGJUQLIGCBCG-HSZRJFAPSA-N 483.593 5.494 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccnc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 10039089 ZQBRAVQEQJGNNC-NSKAYECMSA-N 464.736 5.393 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(CCCC3=O)N2)cc1Cl 13174277 AFUAIEZWYKKJKZ-OAQYLSRUSA-N 470.019 5.511 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)NC(C)(C)CC(C)(C)C)cc1COc1ccc([N+](=O)[O-])cc1 20467912 VJCXASJGLHNINQ-CPNJWEJPSA-N 465.550 5.420 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 20764653 KXUDVYADTCHDNP-MZJWZYIUSA-N 473.356 5.744 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1C 59272354 SPGCIDLQZMTJSP-DEDYPNTBSA-N 474.391 7.159 50 40 JKGB O=C(N/N=c1\oc2ccc3ccccc3c2cc1-c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 72332504 IXHWPGRGFILSSE-QVTSOHHYSA-N 475.464 5.283 50 40 JKGB O=C1c2ccccc2C(=O)N1CCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 84617313 TYYYWVZFUWYBBA-UHFFFAOYSA-N 492.579 5.837 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)N=C2CCCC(O)=C2[C@H]1c1cccs1 102591370 SUGUJFCNJVIKAO-HXUWFJFHSA-N 455.992 6.043 50 40 JKGB Cc1cc(/C=N/NC(=O)CC2(C)SCCS2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 107853669 SMUVQJJTFGCSSH-WGOQTCKBSA-N 494.642 5.706 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(OCC)c1OCc1ccccc1 108107598 WDVDGNNNWMLVOR-UZWMFBFFSA-N 494.591 6.319 50 40 JKGB CC(C)N1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2[C@H](C)CC1(C)C 260562915 CUTQIGLAWZWZSC-LTKMBJGESA-N 456.417 7.040 50 40 JKGB N#C/C(=C/c1cc(Br)c(OCC(=O)O)c(Br)c1)c1ccc2ccccc2c1 408548195 DVHWDYKRWYUWHJ-IDUWFGFVSA-N 487.147 5.892 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccc(Br)cc1 408566329 FVURMCFTDWWJSJ-YVLHZVERSA-N 478.321 6.116 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1ccccc1I 408590890 RDIYXFQWFYTXAY-CVKSISIWSA-N 493.348 5.616 50 40 JKGB CC(C)COc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1Br 408600824 GJZOYZXEMXXTRD-LGJNPRDNSA-N 465.347 6.147 50 40 JKGB C#CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OCC 408762502 BRFHDSYWGNJNRZ-UYRXBGFRSA-N 465.347 5.134 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Br 408793766 GEOMASTXAZDGFJ-RCCKNPSSSA-N 489.369 6.139 50 40 JKGB COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1 408797471 RRHWYUADEYACOU-LFYBBSHMSA-N 484.575 5.728 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1 408797783 SQTMUWYHJFTNJB-DEDYPNTBSA-N 479.349 6.275 50 40 JKGB CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 408835006 WOUKXWXMZKEDDB-XSFVSMFZSA-N 462.933 5.872 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1cc(C)cc(C)c1 408885072 ZXYWEEWXRIRJIP-HYARGMPZSA-N 460.961 6.480 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)c1 409046745 LVPNQBNVUUBBEY-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2)c(Br)c1 409309111 BNYFHNPRUBKDRK-OAHLLOKOSA-N 490.810 5.122 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1OC 409309996 OZBKFJLORCDMDF-MBTHVWNTSA-N 487.383 6.134 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409391159 HSTDXBISZVUNKN-GRSHGNNSSA-N 450.897 5.878 50 40 JKGB Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(Br)cc1 647920 UZQILQNKJYUWTG-QHCPKHFHSA-N 479.374 5.460 50 40 JKGB Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(Br)cc1 647922 UZQILQNKJYUWTG-HSZRJFAPSA-N 479.374 5.460 50 40 JKGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)o2)c1 2162107 BRYHGPQXUUNYBI-CCVNUDIWSA-N 472.884 6.050 50 40 JKGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)nnc2-c2ccccc2)cc1 2212829 DBICRMMEJGBSCQ-OGLMXYFKSA-N 485.613 5.309 50 40 JKGB Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@H](c3ccc(Br)cc3)CC(=O)N2C1 9693394 SNSTXOFMRFFKPK-INIZCTEOSA-N 474.811 5.630 50 40 JKGB Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccccc3Oc3cc(C)cc(C)c3)cc2)cc1 12954766 NHFFNGWTYZUIDT-ZCTHSVRISA-N 464.565 6.747 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 13027787 YVONVNKHLZZKCV-TURZUDJPSA-N 470.597 8.120 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1cccs1 20029142 IYQCTKYIHMHKPY-QHCPKHFHSA-N 493.654 5.470 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1ccccc1Cl 20348467 LHUHFEHGRCUOMR-XMMPIXPASA-N 494.016 5.446 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1I 32125307 JWMROWFLKSLMQY-KPKJPENVSA-N 487.124 5.542 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 33708658 FISWKRSWJSDUIW-GRSHGNNSSA-N 479.876 6.198 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C\c1ccc(-c2ccc(C)cc2Br)o1 33763978 YMHCYFLXSCXMCF-WGARJPEWSA-N 463.331 5.943 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1cccc(Cl)c1 59201506 KEDMJRPAMBTKAG-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccccc1C#N 59433000 TYMCAQDAQZNABS-ZVHZXABRSA-N 451.526 5.699 50 40 JKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C2/CCCc3cc(OC)c(C)cc32)cc1 100311497 BLSJGNZFIJOWIK-IKPAITLHSA-N 464.650 6.994 50 40 JKGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 105061867 VDEBWXPWWIWHBQ-MZJWZYIUSA-N 470.356 5.224 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 107813673 JCMUBMVUMQNWRS-PGMHBOJBSA-N 469.541 7.357 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1OC 109899579 UFBWIZDHXSTDLX-MWLSYYOVSA-N 484.946 6.871 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccccc1[N+](=O)[O-] 408543858 SAOCAXCAIRQNOD-FYJGNVAPSA-N 468.513 6.130 50 40 JKGB CCOC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2Cl)c(OCC)c1 408726138 PZGRPIJPXQGQQJ-SXGWCWSVSA-N 464.743 5.550 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)NCc1ccccc1 408747293 LRZOIEXXAZLION-CFRMEGHHSA-N 487.386 6.949 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1C 408747869 VAVZQYKYAOISCY-BOPFTXTBSA-N 484.781 6.064 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 408766606 VWOSZMVEGWUOSI-ATVHPVEESA-N 487.364 5.615 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 408777634 DSMQLRWIWYMBBN-GRSHGNNSSA-N 459.373 5.741 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(C)c1 408796193 OLRIBLPDUHPVFZ-WSDLNYQXSA-N 460.961 6.399 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1Cl 408805626 HJUKKCKIAZGSHJ-VCHYOVAHSA-N 482.323 6.335 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)c1 408807410 CTXUZLOPUGXCEO-RCCKNPSSSA-N 487.386 7.580 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(Br)c2)cc1C 408873165 NWMQUGLTBQIULG-CIAFOILYSA-N 479.805 6.856 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Cc1cccc(F)c1 408882356 MPASALNTILUOJB-YBFXNURJSA-N 469.343 6.668 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OC(=O)c1ccccc1)C(=O)Nc1cccc2ccccc12 408890935 IQBHEGBDJYNCMZ-RCCKNPSSSA-N 497.348 6.367 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccccc1 408892813 DAPQVMNPIOLKTQ-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c(C)n1-c1cccc(Cl)c1 408924229 MCTXRRUDYWGQGM-VIZOYTHASA-N 489.746 6.508 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(SCC(=O)Nc3ccccc3)c([N+](=O)[O-])c2)cc1 408992230 QXBRYHAKQCMJCS-CPNJWEJPSA-N 472.526 5.180 50 40 JKGB Cc1cccc(Cn2cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c3ccccc32)c1 409039886 XGDOGADBQXSGNL-GXBUFBABSA-N 494.598 6.977 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(C(=O)O)cc2)c1C 409067325 OWOFGQUYMHGCOF-KEBDBYFISA-N 495.362 6.433 50 40 JKGB CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cc2cc(Br)cc(OC)c2o1 409097891 OHSMGEGCRWEIDR-LSHDLFTRSA-N 451.704 5.020 50 40 JKGB Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2Br)cc1 409133135 OUGYTPXVLYWMAS-QFIPXVFZSA-N 465.347 5.151 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)C(=O)NC1CCCC1 409189159 DMGAXFYJZIARHN-NVMNQCDNSA-N 484.781 5.519 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 409217326 PCLSZTVAWLENTN-MFOYZWKCSA-N 487.712 6.793 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1C 409250447 LWWIUGJTWZZGHH-WKIKZPBSSA-N 470.356 5.392 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC=C)c(OCC)c2)cc1OCC 409303639 NWLCJWIOCLBHOB-QQXSKIMKSA-N 458.942 5.031 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2)cc1OC 409316183 XYONHZCILPXUMN-YUMHPJSZSA-N 495.373 5.365 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(I)c1)c1cccc(F)c1 409392078 KQOSQWMVUYNMMQ-JMIUGGIZSA-N 480.280 5.945 50 40 JKGB O=C(N/N=C/c1ccc(Sc2nc3ccccc3c(=O)n2-c2ccccc2)o1)c1ccc(F)cc1 2479358 MDJWYBSYFQHXQY-LQKURTRISA-N 484.512 5.033 50 40 JKGB CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(CSc4ccc(C)cc4)c32)cc1OC 9370647 QJURNEIRNSFULV-JOCHJYFZSA-N 462.575 5.026 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c(Cl)c1 10060143 GZXDBHHSWNNXKF-DHRITJCHSA-N 457.755 5.754 50 40 JKGB COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)c1cccc3ccccc13)oc1ccccc12 16137116 DGLLBYRBNAMWPX-OCSSWDANSA-N 465.509 5.882 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1 19831174 JCAIXENUOQYGBD-SANMLTNESA-N 498.608 5.603 50 40 JKGB CCOc1ccccc1OCC(=O)N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 20100906 ILFRYTBKVACYKB-OPEKNORGSA-N 467.736 5.835 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)c(C)c1 20194982 LHPUFHXDEUKPDT-XODNFHPESA-N 475.803 6.535 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 20197941 PHPNLOHGGUKMDF-RWPZCVJISA-N 487.383 6.134 50 40 JKGB C/C(=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)c1ccc(NC(=O)c2cccs2)cc1 20352614 JZXVAWCQHJEAEI-WBILBPDKSA-N 455.967 5.270 50 40 JKGB CN(C)c1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1 32576851 MOJOFMMGPDQOGO-DICXZTSXSA-N 478.021 5.046 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1F)C(=O)Nc1cccc([N+](=O)[O-])c1 59224837 SPWICIXFEDMFCN-LICLKQGHSA-N 451.841 5.512 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1C 59432666 UYDPNLHRCNKOES-FYJGNVAPSA-N 461.359 6.191 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1Oc1ccccc1[N+](=O)[O-] 59475441 WWALHOKTSMQDME-CVKSISIWSA-N 457.442 5.018 50 40 JKGB O=C(CCn1c2ccccc2c2ccccc21)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21 100563369 QHWXSACSTALNNB-UUDCSCGESA-N 472.548 5.252 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)COc2ccc(C3SCCS3)cc2)o1 408570790 YOVMFDJDRRNILD-CFRMEGHHSA-N 483.571 5.171 50 40 JKGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408615883 UCOVMHKANVRVGE-MZJWZYIUSA-N 486.355 5.060 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cccc2ccccc12 408743448 FWNLECZCQPEULW-QNGOZBTKSA-N 470.370 6.556 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1C#N 408797574 RZLWXNGBQNBZSY-DJKKODMXSA-N 488.887 5.253 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(OCc2ccc(Cl)c(Cl)c2)c1 408801878 WIAKSMPLHYLTAG-GZTJUZNOSA-N 487.770 6.780 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 408853576 PTMSVCCRIQMTTM-NTFVMDSBSA-N 485.496 5.421 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)c(Cl)c2)cc1 408878717 CWTYGDSQNWCVJO-LPYMAVHISA-N 474.944 5.868 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)c1cccc(Br)c1 408879955 HZZIJYXKXPRGKK-BRJLIKDPSA-N 492.156 5.739 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2F)ccc2ccccc12 408888710 ZLIMEIZFZFNCBJ-HAVVHWLPSA-N 450.513 6.666 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(=O)Nc1cccc2ccccc12 408888983 ADIDICVEASNOGK-KGENOOAVSA-N 460.449 5.958 50 40 JKGB O=C(N/N=C/c1cc(Br)c(Sc2ccccc2)o1)c1cccc(Br)c1 408996872 KHDMOXJTHNKMGZ-SRZZPIQSSA-N 480.181 5.720 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OCc1ccccc1F 409067033 OSMUUFBZDYOZOK-FYJGNVAPSA-N 476.935 6.341 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2[C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1 409123464 CADACDWDXMALRZ-HSZRJFAPSA-N 478.390 5.067 50 40 JKGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1 409130549 IADVPCNPKVYJPL-NRFANRHFSA-N 466.324 5.259 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCc1ccc(Cl)cc1Cl 409148366 YSCVJXAUAJKFCU-NRFANRHFSA-N 471.344 5.221 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4cccc5ccccc45)c(OC)c3)cc2c1 409186885 JBQFUIPTIGCKKG-MNBJERMJSA-N 494.547 6.336 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)ccc1OC 409309556 IZHHNZUWIFJMSY-VYYCAZPPSA-N 473.356 5.744 50 40 JKGB CCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OCC 409323010 MJQKXWNYXLJSQP-CEUNXORHSA-N 476.573 5.616 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1OC 409337204 XENDOKVCZCQFKT-MUXKCCDJSA-N 487.383 6.052 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1 1082807 JVVCGDYGWALHEP-DTQAZKPQSA-N 451.320 5.962 50 40 JKGB Cc1ccc(N2C(=O)[C@@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 1888109 URISKTODOVRUQR-NLTRVXJZSA-N 488.012 6.022 50 40 JKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 1905939 WXKQWSGGOGFXBR-XDHOZWIPSA-N 451.979 6.112 50 40 JKGB CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1ccc(OCc2ccccc2)cc1 2176413 VRCSAQTUYOTSMI-NLTKLDOMSA-N 497.389 5.344 50 40 JKGB CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1c(Cl)cccc1Cl 3175180 VTXKLNHJSSYXCK-LLXCYVELSA-N 480.189 6.217 50 40 JKGB Cc1ccccc1-n1c(SCC(=O)NN(c2ccccc2)c2ccccc2)nnc1-c1cccnc1 3222475 SIPVEYYJAXBMQT-UHFFFAOYSA-N 492.608 5.599 50 40 JKGB O=C(NN=C(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1)C1c2ccccc2-c2ccccc21 8856198 MOMXRYFMZGOUPU-UHFFFAOYSA-N 485.414 7.063 50 40 JKGB N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 9380337 YDTNPFWGDQTJFC-LDADJPATSA-N 468.504 5.266 50 40 JKGB CC/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccccc1 9730578 AZXNODJYMLRYPI-HPNDGRJYSA-N 476.005 5.610 50 40 JKGB CC(C)Oc1c(Br)cc(Br)cc1/C=C(/C#N)c1nc2ccccc2[nH]1 16575566 BGJUDKNXHKTMOA-QPEQYQDCSA-N 461.157 5.939 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc(Cl)c(O)c(Cl)c2)ccc1OC(=O)c1ccccc1Cl 20228564 GCBARMRZOPWUBA-KBKYJPHKSA-N 493.730 5.344 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1C 27018595 WAJJGIPCJIDNLD-OQKWZONESA-N 459.553 6.577 50 40 JKGB O=C(CCC(=O)Nc1cccc2ccccc12)N/N=C\c1ccccc1OCc1ccccc1 28632624 RLPYSKFURVJZCL-CEUNXORHSA-N 451.526 5.288 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(N3CCCC3)c(C)c2)c(C(=O)OCC)c1C 33793737 FKTFMGVGYTZENJ-ZHZULCJRSA-N 494.613 5.037 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCC(=O)c1ccccc1 33932612 KDQKUTJSLJRZKE-UCQKPKSFSA-N 480.589 6.761 50 40 JKGB COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(/C=N/NC(=O)c2ccccc2)c1 59417186 BWBJACHVLCDXDO-LGJNPRDNSA-N 459.380 5.178 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 59534132 LRPSRLZYOJPFRH-RCCKNPSSSA-N 498.564 5.970 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)c1ccc2ccccc2c1 107825234 DRMZPWDXUIAXSQ-MYKKPKGFSA-N 499.795 7.771 50 40 JKGB CCN1c2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2C(C)=CC1(C)C 208516680 SGQZRAHSHYNZJE-WGARJPEWSA-N 466.379 5.981 50 40 JKGB Cc1ccccc1Cn1cc(/C=N/NC(=O)c2cc(Br)ccc2O)c2ccccc21 408569022 YCQGGUQKBWZGKR-LGJNPRDNSA-N 462.347 5.230 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1Br 408581360 WKPMWOGPYZDGIY-NTUHNPAUSA-N 486.001 6.437 50 40 JKGB N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)c1cccc(Br)c1 408772077 KEVTXUBQTXOUBM-RGEXLXHISA-N 493.857 7.914 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccccc1 408791088 TUJPHEWKQBCPSQ-LDADJPATSA-N 478.302 5.482 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1c(C)ccc2ccccc12 408797001 FKHFBOJOTCLZBS-XQNSMLJCSA-N 478.548 6.377 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 408799349 YRUXHOMFLNSUHU-QGOAFFKASA-N 465.431 5.269 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 408815347 JEIDHGJNUSUQAN-DEDYPNTBSA-N 464.363 5.089 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 408868716 PTSMMOXPMVOANV-DEDYPNTBSA-N 451.353 6.680 50 40 JKGB Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1 408880933 LGDSYKUITAPDQW-UDWIEESQSA-N 451.353 6.735 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3c(C)cc(C)cc3C)c(OC)c2)c(C)c1 408909857 INKDDRXHKKRNSD-FDAWAROLSA-N 488.628 5.989 50 40 JKGB Cc1ccc(Sc2oc(/C=N/NC(=O)CNc3ccc(C)c(C)c3)cc2Br)cc1 408910974 MJBWZCMZAYYDGA-BRJLIKDPSA-N 472.408 5.681 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(C(=O)O)cc1 408983706 NOQRZZWGMXBNHT-FYJGNVAPSA-N 490.943 5.870 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1)c1cccs1 409187839 UXRHPHSLQHXJCP-JJFYIABZSA-N 494.208 5.616 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1cccc(C)c1C 409265960 VKCCDRUXLWRJDW-UCQKPKSFSA-N 483.568 5.492 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)c1 409270294 OYDMVDSPJAXADH-XDHOZWIPSA-N 477.923 5.659 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cccc(OCc3ccccc3)c2)ccc1OCc1ccccc1 409314006 RIAKJOTYEDQJBX-GTWSWNCMSA-N 480.564 6.007 50 40 JKGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1Cl 409316960 RXZJDCYZEWUKKW-QRQIAZFYSA-N 462.933 5.094 50 40 JKGB COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@H]3c2ccc(OCc3ccccc3)cc2)cc1 707865 BULQSZFUUNIHEJ-QABMSTFYSA-N 476.576 6.159 50 40 JKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc1OC 1906018 USLRKBDVRLCLIE-XDHOZWIPSA-N 482.005 6.120 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccc(C)cc1 2078211 SMUDMNNSGMLZGL-JFLMPSFJSA-N 497.389 5.508 50 40 JKGB COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3c(C)cccc3C)ccc2OC)cc1 3255719 WFPNWINWEOEFFF-KGENOOAVSA-N 456.498 5.086 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1C#N 4211295 SWNJPSLRPZJDAK-SRZZPIQSSA-N 457.917 5.653 50 40 JKGB CCCCCCOc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 6471961 YGDVLWQSNOBCPJ-VUTHCHCSSA-N 464.993 6.642 50 40 JKGB N#C/C(=C/Nc1ccc(F)c(F)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 11853093 JHUVABYACRCXJK-XFXZXTDPSA-N 486.297 5.934 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccccc1Cl 12555278 DTIQPNSWEDSJPM-YBFXNURJSA-N 462.889 5.171 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1cc(Br)ccc1O 14408656 LVYLJJOMIHUKJM-WYMPLXKRSA-N 459.727 5.151 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 14408753 JFAPSMLALDMVKG-STBIYBPSSA-N 458.945 5.774 50 40 JKGB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1 20347812 YUIWXWWAZXVQHA-AREMUKBSSA-N 499.592 5.399 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4cccs4)c(NC(C)=O)s3)o2)cc1 26771320 FSUHJODEGUVJQF-QGOAFFKASA-N 489.578 6.331 50 40 JKGB Cc1ccccc1CSCC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 28215847 ZJYYDYKPRIRUEY-RPPGKUMJSA-N 460.430 6.093 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1F 33708655 QJPARBDXXMQSOF-SXGWCWSVSA-N 477.160 7.538 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1cccc(C)c1 34799187 LCIPKIMKRREIQY-HYARGMPZSA-N 497.620 6.330 50 40 JKGB CCCCCCOc1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1 41082801 SJCASUZMZMSRHH-HIXSDJFHSA-N 488.584 5.920 50 40 JKGB C[C@@H](COc1ccccc1)Cn1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)c2ccccc21 41120736 QMEOXNBTCDSPFJ-LNKKFFRNSA-N 492.604 7.161 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2)cc1 59245253 YBDRMMXFLUHYDB-XSFVSMFZSA-N 477.358 5.972 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 59336072 QIFCGCVZWDTTRR-BOPFTXTBSA-N 469.328 6.163 50 40 JKGB Cc1cc(N(C[C@@H](C)Br)C[C@@H](C)Br)ccc1/N=N/c1ccccc1C(=O)O 59364614 IUBPTOPNFAZJQA-MIANUAPLSA-N 497.231 6.482 50 40 JKGB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)C(Cl)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 118923929 FAKDDMAOMPFPIR-WIQSOMLFSA-N 499.607 8.823 50 40 JKGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)COc3cccc(Br)c3)cc21 208248060 DFMMMNQSNLFWSW-QTYGBZKPSA-N 478.818 5.354 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 408583894 YIWRRMSTTRFNHZ-XDHOZWIPSA-N 465.303 6.009 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc([N+](=O)[O-])cc1C 408606775 PRBPGNIQCDGKNL-CPNJWEJPSA-N 497.511 5.260 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 408743408 SVMHFMPRDPOOGS-ULJHMMPZSA-N 481.983 6.872 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(OCC)c1OCc1ccc(Cl)cc1 408746312 RSFRSLSZJBTBRC-JLPGSUDCSA-N 486.999 6.900 50 40 JKGB N#C/C(=C/c1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1cccc(Br)c1 408757161 VDOINYJVJWICLN-PDGQHHTCSA-N 474.333 6.137 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccccc1 408798753 WZXFUOFWBAJPKV-RQZCQDPDSA-N 487.770 6.780 50 40 JKGB O=C(N/N=C/c1ccc(F)cc1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 408845723 RGTIFECXWIDTQN-KKMKTNMSSA-N 486.355 6.363 50 40 JKGB N#Cc1ccccc1COc1ccc(Br)cc1/C=N\NC(=O)c1cc2ccccc2o1 408848890 WUFJIKKTVTXILJ-VYYCAZPPSA-N 474.314 5.410 50 40 JKGB CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 408878557 BWTWLYIFSRUNJG-WUXMJOGZSA-N 495.127 5.064 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)cc2)c1 408882374 NSUAXKSURMQYSL-KGENOOAVSA-N 461.359 6.191 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1Cc1ccccc1F 408883506 QAHAELDJYRATPI-WOJGMQOQSA-N 495.348 5.829 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1cccc(I)c1 408891806 VRDZOOPLOUSIOQ-ZMOGYAJESA-N 490.728 5.288 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccccc1Br 408896459 NSGJAJONLMJLFV-WOJGMQOQSA-N 497.776 6.236 50 40 JKGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)o1 408897213 QUABGNDUCSWYPY-XYOKQWHBSA-N 458.257 5.716 50 40 JKGB N#C/C(=C/c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12 408956989 ZMQFRTOWLTXISC-IWIPYMOSSA-N 469.548 5.308 50 40 JKGB CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)c1C 408961964 WCNVZSLGNFIWIN-WKIKZPBSSA-N 458.389 5.801 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1)c1nc2ccccc2[nH]1 409044399 COLGXRQGROKLMK-SFQUDFHCSA-N 473.330 5.407 50 40 JKGB C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1 409050105 YVTNHTUOIOTPFG-NTEUORMPSA-N 492.167 5.331 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1ccccc1F 409074514 MLMTVZPOOXICNY-HZHRSRAPSA-N 458.489 6.504 50 40 JKGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)Cc2ccccc2)c(C)c1 409146245 RULMGPRJBYLOQJ-STBIYBPSSA-N 491.657 5.076 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1 409196480 ZKCROFLIDPFSJV-DHRITJCHSA-N 473.754 5.454 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(I)c1OC(C)C 409203541 XRZULHRGOBKRCX-NVNXTCNLSA-N 464.259 5.059 50 40 JKGB COc1cc2c(cc1N/C=C(\C#N)c1nc(-c3ccc(OC)c(OC)c3)cs1)oc1ccccc12 1753489 OODGDBNXHRFYGC-SAPNQHFASA-N 483.549 6.712 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1 2773799 SYEGAEGLXSAVPK-XNTDXEJSSA-N 452.264 5.471 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc2ccccc21 9019100 KOOPMZHBLVZYKN-JFLMPSFJSA-N 466.651 5.599 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)Nc1ccc(Br)cc1 9311586 AUMBGSOKKXRNCS-UKTHLTGXSA-N 471.694 5.606 50 40 JKGB Cc1ccsc1/C=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1 12465047 LRLUJRBANKXICI-UWVJOHFNSA-N 455.055 5.096 50 40 JKGB COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2)ccc1OCc1cccc2ccccc12 18190274 VNESBUPXJQHFPC-CJHIPLPSSA-N 454.526 5.345 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)ccc1OCc1ccc(Cl)c(Cl)c1 20195206 PFWZXVALDWKJPW-WKULSOCRSA-N 485.411 6.281 50 40 JKGB Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSc3ccccc3)c2C)c1 20243685 ZFFTYKMSSBQMLB-ZMOGYAJESA-N 456.409 5.407 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 33740752 CVOGCLRCNGYMIT-ZDLGFXPLSA-N 474.904 6.085 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@H]1c1cccc(Br)c1 35316352 PYKQFAJFFLFKDW-HNNXBMFYSA-N 462.134 5.364 50 40 JKGB Br[C@H]1CC23C=CC2(C[C@H]1Br)C[C@@H](Br)[C@H](Br)C3 101044458 ZWHWSQOPWQCLCG-NKIOINFDSA-N 477.860 5.171 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1Cl)Nc1ccccc1F 106113703 DJXBFFXGGSSKDZ-WKULSOCRSA-N 475.907 5.414 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccccc1 107708877 DYLQNCASVFJVAH-ODLFYWEKSA-N 477.904 5.729 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 209281627 VKUKHRCSSQNRRI-FPJJECCMSA-N 495.406 6.755 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 408527454 FTPZJGAKRNPAMJ-KPGMTVGESA-N 477.486 6.000 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c2ccccc2n1Cc1ccccc1C#N 408543769 SWWBXMKQWKQKPF-HMAPJEAMSA-N 460.493 5.114 50 40 JKGB N#C/C(=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 408544137 SFFZYRCOWCYIRT-PDGQHHTCSA-N 498.926 5.177 50 40 JKGB N#C/C(=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1nc2ccc(F)cc2[nH]1 408569740 PTIFTQFPJAKDDZ-UYRXBGFRSA-N 453.904 7.152 50 40 JKGB COc1ccc(/C(C#N)=C/c2c(OS(=O)(=O)c3ccccc3)ccc3ccccc23)cc1OC 408583355 TYPOTFVGDFNTSV-LTGZKZEYSA-N 471.534 5.689 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 408759769 LFKCIWSFLNZNRU-SFQUDFHCSA-N 496.350 5.565 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccccc1C#N 408764233 SMXNGSZRQHCGRS-UCQKPKSFSA-N 498.380 6.174 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(Cl)cc1 408778769 KGLOLUSAYUGHQZ-PXNMLYILSA-N 463.759 5.122 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OC(C)C)c3)c2C)cc1 408779772 KERHICLLNKMHHP-HMAPJEAMSA-N 457.530 5.214 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1ccccc1Cl 408788154 BMRJCRQNSHXADM-GZTJUZNOSA-N 468.296 6.026 50 40 JKGB N#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 408789207 OMHWNVJCRJZILT-KPKJPENVSA-N 451.107 5.204 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408790731 XZSLSSBGLGDCAX-VXLYETTFSA-N 458.861 5.245 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc2n1Cc1ccc(Br)cc1 408805010 IKSXTEDNYCMCNO-KMYAOZERSA-N 498.424 6.545 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 408819841 UGSBSSYUANQKMI-FYJGNVAPSA-N 481.379 5.847 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)C(=O)Nc1cccc(Cl)c1Cl 408852139 IPQNDJSHMAGNFL-WQLSENKSSA-N 496.575 7.215 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408884782 VQYJBMOYDMLMJO-KGENOOAVSA-N 483.911 6.526 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1Cc1ccccc1Br 408885406 ZIAYLEROAFMBBC-HZHRSRAPSA-N 489.413 6.547 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1cc(C)cc(C)c1 408887506 REYGELTUWOCZLT-MFKUBSTISA-N 454.570 6.444 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 408987594 BIVBOIXSZWSAMX-LFIBNONCSA-N 450.907 5.649 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OCC(=O)Nc1ccc(F)cc1 409023838 RWDRDDUPHAKHPQ-QDTIIGTASA-N 495.894 5.015 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409048081 RBYAUSVETVGNDR-DEDYPNTBSA-N 489.959 5.610 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1cccc2ccccc12 409182342 KBZFEQJMKDUZCX-RWPZCVJISA-N 493.788 6.599 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1 409223352 FIWLFYVFPKUBTF-WYRWUVFZSA-N 486.999 6.440 50 40 JKGB Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)cc1 409396872 CGYJCLRHNIERNK-UHFFFAOYSA-N 491.522 6.266 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2/C(=N/OCc2ccc(C)cc2)CCC3)cc1 1383241 DULFTBLUJGZPJZ-POJDDIJKSA-N 465.553 6.322 50 40 JKGB COC(=O)c1cc(OC)c(OC)cc1N/C=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1 1777028 BKTPCIKMQBVFQM-SDNWHVSQSA-N 455.923 5.244 50 40 JKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1 1905846 WUZRQYUXPJVTEQ-CPNJWEJPSA-N 451.979 6.112 50 40 JKGB O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cc2c(ccc3ccccc32)o1 2159609 KUHMPDGTTLSTSV-LGJNPRDNSA-N 459.845 6.172 50 40 JKGB COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3o2)c1OCc1cccc2ccccc12 2779874 LVZQTUCAPXZPJB-MUFRIFMGSA-N 497.576 5.811 50 40 JKGB O=C(NNC(=O)c1oc2ccccc2c1CSCc1ccccc1)c1cccc(Cl)c1 3454267 YHQHKIHRNRJNSY-UHFFFAOYSA-N 450.947 5.594 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3I)n2)cc1 8400478 AHHMZJVIPPBMEL-KAMYIIQDSA-N 459.312 5.400 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)sc(C(=O)OCCOC)c1C 10232883 NAKPPAUFNMNLCF-LGMDPLHJSA-N 497.598 5.137 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc(F)cc1 12466254 HBPXQWRGYJJGEO-WSDLNYQXSA-N 467.016 5.255 50 40 JKGB O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/C(Cl)=C\c1ccccc1 13583809 MUVZOXGFVHCPFR-WQEBFIPHSA-N 461.037 5.304 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Br)c1OCc1ccccc1 16348329 YEHXCOJAWPJUFE-ODLFYWEKSA-N 474.358 6.286 50 40 JKGB C/C(=N\NC(=O)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1)c1ccccc1 16949153 KVTIXZZBALVALT-MZJWZYIUSA-N 455.465 5.169 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)cc1 28296642 SDUAUIZWRMFDRY-TWKHWXDSSA-N 452.558 5.546 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3OC(C)(C)C)o2)cc1 33450602 WGCSPDDRWKYYSJ-YKQZZPSBSA-N 485.584 6.207 50 40 JKGB COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1 33450615 OOZDTNFERJBBNL-MBTHVWNTSA-N 477.948 5.692 50 40 JKGB CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc3ccccc3c2)c(I)c1 59334198 FIAVJFHNJZRYPT-JAIQZWGSSA-N 482.321 5.019 50 40 JKGB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Sc2nc3ccccc3s2)o1 59459234 AHHXAABNBOUQFU-ZFILKEQLSA-N 492.409 6.265 50 40 JKGB CC(C)(C)c1ccc(O)c(/N=N/c2ccccc2OCP(=O)(c2ccccc2)c2ccccc2)c1 68592627 QXMACNRGZMGXGS-NVQSTNCTSA-N 484.536 7.456 50 40 JKGB C=CCOc1c(I)cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1OCC 107773687 LYCLFQMHNDAAGD-YBEGLDIGSA-N 485.325 5.504 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 108014612 OJNOLLICZYPJIO-YBEGLDIGSA-N 499.311 5.818 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)c(C#N)c1C 408546273 FUMURQRIOHOASP-FYJGNVAPSA-N 470.550 5.403 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)c2ccc(Cl)cc2)cc1 408579920 LLDAWLVUMNRWDV-LDADJPATSA-N 488.790 6.243 50 40 JKGB CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(OC)c(OC)c1 408581560 IXHHZAQPFVVBSK-OVCLIPMQSA-N 481.184 6.082 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1Br 408581932 ZZZVLLNRRFAPNX-VZUCSPMQSA-N 475.995 6.981 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1 408582703 PEMRAPXHPQVIHK-VXLYETTFSA-N 454.309 6.343 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cccc(Cl)c1 408598452 ASQUZCNMENBVLR-IUXPMGMMSA-N 493.615 8.052 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1Cl 408609288 QWKPGHKWOMJVFR-KKMKTNMSSA-N 490.774 5.623 50 40 JKGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)c1C 408610249 MYZISGVADHNAMJ-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2F)c(Br)c1)c1ccc(N2CCCC2)cc1 408675869 BXPSJESGHSZZQS-LQKURTRISA-N 496.380 5.531 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)c1 408745707 OLIXCUCAKYYILV-UQQQWYQISA-N 471.560 6.787 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(Cl)cc1 408801075 SLRGTSMXLCSTJQ-CPNJWEJPSA-N 450.897 6.002 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1cccc(Cl)c1 408841988 NAUBJIWZZHHCJA-JFLMPSFJSA-N 468.937 5.099 50 40 JKGB Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(C)c1OCc1ccc(Cl)cc1 408854336 CSWLRTJNAIIZNK-BIZUNTBRSA-N 499.010 5.922 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1OCc1cccc2ccccc12 408868998 ORRGATHGWLKMQC-KOEQRZSOSA-N 462.549 6.535 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccccc1F 408880468 HXLDMUJGEGYDBR-LICLKQGHSA-N 471.315 6.266 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c([N+](=O)[O-])c1 408889264 BXCMMNKFOUPDHV-CXUHLZMHSA-N 485.327 5.863 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408895620 NRSXSEZNOCZPEE-UXBLZVDNSA-N 497.121 7.014 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(C(C)(C)C)cc1 408959987 BMFJMJMUUJHKLT-JFLMPSFJSA-N 458.518 5.810 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1cccc(C(F)(F)F)c1 408961091 ACEYXJLRDNOQRG-PNQUVVCRSA-N 490.312 6.779 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1 409055129 WJNILLHRTQJABL-LGJNPRDNSA-N 471.782 6.062 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 409240329 SNCLLDLYYSYEHI-PPDIBHTLSA-N 465.739 6.058 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 409246221 GNDYGIGDVZRENJ-STZFKDTASA-N 452.385 6.057 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C 409264181 POGGCSVGEHOJHG-MUXKCCDJSA-N 479.964 5.055 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2)c1C 409268427 TUFOUJIPUJSEIQ-ZHZULCJRSA-N 459.933 5.520 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1 409273031 UXRYNUAEXINKRV-MHWRWJLKSA-N 484.314 5.696 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1OC 409336686 UBQKDQSILVPICO-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB CC(=O)Oc1c(Br)cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc1Br 867568 QBPIXFFPTXECFY-VIZOYTHASA-N 492.167 5.299 50 40 JKGB C[C@H](Oc1ccccc1Br)C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 2766113 SGDBLLJKEVSKIJ-NLTKLDOMSA-N 489.373 5.219 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccccc1C(F)(F)F 2807601 OONVAIXCJLJHNY-CAPFRKAQSA-N 486.449 6.623 50 40 JKGB N#CC(NC(=O)c1ccccc1)=C(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1 3012953 KQFNUXMSDFMQFG-UHFFFAOYSA-N 457.407 7.000 50 40 JKGB N#C/C(=C\Nc1ccccc1C(F)(F)F)c1nc(-c2cccc(Br)c2)cs1 9075581 VHQZSNOUWGKPLY-JLHYYAGUSA-N 450.283 6.568 50 40 JKGB CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OCc4ccc(F)cc4)cc2)C(C#N)=C(N)O3)cc1 9308847 HQOOQLJBSOOAHV-RUZDIDTESA-N 496.542 5.802 50 40 JKGB N#C/C(C(=O)Nc1ccccc1)=C1/S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 9909862 ZOPLHOQCVLQMLU-JSIHEXFSSA-N 477.948 5.544 50 40 JKGB Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc21 10118488 VSNJZVUMGWIUAF-VULFUBBASA-N 493.348 5.367 50 40 JKGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 12555984 SNZFTOJGHAVZLN-MDWZMJQESA-N 462.687 5.121 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 13898094 CDFVQDPXAUASER-WSDLNYQXSA-N 490.943 5.239 50 40 JKGB CC(C)(C)c1ccc(C(=O)CCSC2=C(C#N)[C@H](c3ccco3)C3=C(CCCC3=O)N2)cc1 20347912 ZPTQHCPLEOELPC-XMMPIXPASA-N 460.599 6.012 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc34)[nH]c2c1 33861126 IYQQVOYCMCWYRY-QNGOZBTKSA-N 460.493 6.576 50 40 JKGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c1 58912701 ODZXWYQQLYBFQM-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OCC)c1OCc1ccc(Br)cc1 59333725 GOYDFZQUPVHSRZ-MOSHPQCFSA-N 469.379 5.150 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)c1OCc1ccc(Br)cc1 59435272 JHJWZXVEKMXHQQ-DHRITJCHSA-N 473.754 5.454 50 40 JKGB CCCCCCCC[C@H](Cl)[C@@H](Cl)CCCCCCCC(=O)[C@H](C(=O)O)[C@H](O)C[N+](C)(C)C 100500838 TYGGPHDVLKGGFC-ZQRMPTRQSA-O 497.568 6.020 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(C(=O)O)c1 107774488 KVBMKEJKCQGBJX-OCKHKDLRSA-N 464.861 5.598 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1cc(Br)ccc1O 408724723 BDYIIHXXNBMUHK-RPPGKUMJSA-N 482.765 5.575 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 408743500 ARHLHJPZZWHUFA-YVLHZVERSA-N 498.322 6.035 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)c1 408745112 JVGCDAGDNXWKFK-ZDLGFXPLSA-N 471.771 7.080 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408792260 AGKGLUOQTMTYFV-RGVLZGJSSA-N 491.931 6.080 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(OCc2ccc(C)c(C)c2)c1 408803378 OFDMZJBSXKDHLM-WSDLNYQXSA-N 460.961 6.399 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OC 408859088 WHCWBOBKAIJZAF-KSEXSDGBSA-N 492.167 5.459 50 40 JKGB COc1ccc(/C=C/C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 408861656 FAFDISHZWYDUKM-VZBWSNPVSA-N 495.373 5.209 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1OCc1c(C)ccc2ccccc12 408872893 KSXVMHJKCPAZEU-NLRVBDNBSA-N 490.603 7.234 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 408880556 IGOXYWDFHPJYGH-HMMYKYKNSA-N 463.449 5.513 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1c(Cl)cccc1Cl 408895572 NIADUDOHMIXJCP-LUOAPIJWSA-N 498.193 6.652 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)c2C)c1C 408981734 WNNBEIGXTVFRID-AWLRXGSOSA-N 492.623 5.722 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 409004816 DUKDZMXYXUXSBA-VUTHCHCSSA-N 465.509 5.147 50 40 JKGB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 409005050 YXRVCKWNJNBPOA-FTBWOGGGSA-N 478.552 5.282 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCC(=O)Nc1ccccc1C 409008325 VXPQGGLYSPLRRO-HAHDFKILSA-N 483.568 5.574 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1 409058698 SODKTYDBCCGXDG-XMHGGMMESA-N 475.932 5.302 50 40 JKGB CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1 409242234 VXVLPPCRHCAHCT-JCMHNJIXSA-N 465.519 7.001 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 409260120 LCPWUNXNTUACLW-OGLMXYFKSA-N 468.513 5.442 50 40 JKGB N#CC1=C(SCc2ccc(Cl)cc2Cl)NC(=O)C[C@H]1c1cccc(Br)c1 409320333 CTQUUMUPFVVSDX-HNNXBMFYSA-N 468.203 6.028 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OCc1ccc([N+](=O)[O-])cc1 409393555 YLBHDIBKYHKDBR-OCSSWDANSA-N 498.539 5.288 50 40 JKGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(C)cc1 1888425 BZOWRJSFLOHFJE-AJNNJPABSA-N 461.370 5.291 50 40 JKGB CC(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1 2294498 YPCGYOSMUCZMGB-JFLMPSFJSA-N 481.390 5.681 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3c[nH]c4ccccc34)n2-c2ccc(C)cc2)cc1 2321599 VNDYJWIZUHHRKV-MUFRIFMGSA-N 480.597 5.275 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c(OC)c1 6245498 KGKBYHFATAGKGJ-JFLMPSFJSA-N 472.570 5.643 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccc(F)cc1 8566412 BFVCICYIMKICDZ-QHCPKHFHSA-N 468.488 5.022 50 40 JKGB N#C/C(=C\Nc1ccc(Br)cc1F)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 11853123 BSCILIOZGFPKOK-XMHGGMMESA-N 476.374 7.355 50 40 JKGB CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C(\C)c2ccc(OCC)cc2)cc1 12411236 BXQMLCZIGDFDSF-DQVVVDIGSA-N 485.584 5.185 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 16157520 NDAFBCMDUXYSRF-AUEPDCJTSA-N 462.383 6.106 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc3ccccc23)=C(C#N)[C@H]1c1ccco1 20348598 HIDRWIGCPJUSOB-VWLOTQADSA-N 485.565 5.230 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)ccc1Oc1ccc([N+](=O)[O-])cc1C(F)(F)F 27520641 ADPLQZHFYWYHBE-MHWRWJLKSA-N 494.429 6.663 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1ccccc1F 33871719 WZUZFHAYQZWJRO-HKWRFOASSA-N 458.330 7.385 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 35352638 JOHVTRFOXXZSFB-ATVHPVEESA-N 479.989 5.932 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1OCc1ccc(Cl)cc1Cl 59117122 RBPIWLPUAITBCX-LICLKQGHSA-N 487.770 6.780 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1C 59281731 FWLKJKYDAJYZGR-UDWIEESQSA-N 451.353 6.735 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1F 59410668 VAAWWSDSNHORLN-RPPGKUMJSA-N 491.744 5.593 50 40 JKGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccccc2C)N=C2CCCC(O)=C21 102865028 YWNHLOUKVOQQFB-RUZDIDTESA-N 473.598 6.035 50 40 JKGB Cc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2C)N=C2CCCC(O)=C21 104144404 UDGHUHYDZBOFEU-XMMPIXPASA-N 478.017 6.598 50 40 JKGB CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCC[Si](OC)(OC)OC 169746136 CZIAHOKVOQSYHN-UHFFFAOYSA-N 474.867 7.983 50 40 JKGB in-man O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 408569635 OXTLGJVNEGFNCN-BRJLIKDPSA-N 493.437 6.261 50 40 JKGB COc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)[C@@H](Br)c2ccccc2)cc1OC 408677727 DZXHBAQTIMNTNL-GMAHTHKFSA-N 469.331 5.248 50 40 JKGB Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Br)c3)nn2-c2ccc(C)cc2)cc1 408727374 WEBCCKTXOAYXJU-JVWAILMASA-N 473.374 5.683 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408752412 IHMXAXQZOXBDFB-AUEPDCJTSA-N 468.134 5.788 50 40 JKGB N#C/C(=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 408781903 CVRJHZPNNYZXMK-HKWRFOASSA-N 483.911 6.526 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccc(Cl)cc1 408784690 RUVLCACKNYYKCX-ZHZULCJRSA-N 461.949 5.539 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1ccc(O)cc1 408788499 DKIAPUCFWQITAR-LPYMAVHISA-N 454.913 6.323 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408791568 YVBSFOUWRGRGFT-LPYMAVHISA-N 473.359 7.271 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408794601 JPGATWMQVLTYJL-VCHYOVAHSA-N 477.860 5.071 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc([N+](=O)[O-])c2)cc1 408811112 QPBSWKOCVKLNBO-XDHOZWIPSA-N 491.887 5.159 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1cccc(C)c1 408814416 GYGDXPBNVOZKMW-IWIPYMOSSA-N 456.542 5.205 50 40 JKGB Cc1c(Br)c(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(Br)cc1 408858365 YNJNWGMMQGFUSG-VBKFSLOCSA-N 499.206 6.165 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408882757 QPVQVPCBDOSTDZ-LICLKQGHSA-N 468.296 6.026 50 40 JKGB N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2)c1)C(=O)Nc1cccc2ccccc12 408888687 YYZCWJSSKKSQAK-LTGZKZEYSA-N 454.507 5.153 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc3ccccc3c2)c1OCc1cccc2ccccc12 408890570 VUOVTCSIDRMYEA-ZCTHSVRISA-N 460.533 6.345 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OC(=O)c1ccc(C)cc1 408893933 HBUUDTBLIMQBRY-CPNJWEJPSA-N 491.341 5.531 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1C 408924280 MLTBNNYDBSJGEG-VXLYETTFSA-N 467.352 6.435 50 40 JKGB O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)s1)Nc1ccc(Br)cc1 409018768 UHUDNTNAUAVCLK-NHDPSOOVSA-N 466.813 6.471 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 409069909 JXIHSKNECXUIHV-VCHYOVAHSA-N 459.889 5.566 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 409086728 WOONTHZPSRNAGN-NTEUORMPSA-N 484.821 7.000 50 40 JKGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1cccc(I)c1 409187251 OAKZDQOLQRQWOI-SRZZPIQSSA-N 482.730 5.453 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4)cc3)CC2=O)cc1C 409261738 ASSQZIZVPTYZBJ-HRMYGOSUSA-N 475.976 5.039 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(O)c1 409390591 FOCRFUKOSNBGQG-KKMKTNMSSA-N 468.340 5.475 50 40 JKGB Cc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1CSc1ccc(Cl)cc1 651030 IUVLHWVLFABZKF-NRFANRHFSA-N 471.047 6.453 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(n1cccc1)=C(C#N)[C@@H]2c1cccs1 1431798 GFIMFNAICQJJJQ-HSZRJFAPSA-N 493.554 7.208 50 40 JKGB O=C(CCC(=O)Nc1cccc(C(F)(F)F)c1)N/N=C/c1cccc(Oc2ccccc2)c1 2110791 SJMBOKFDXGVUGO-LQKURTRISA-N 455.436 5.367 50 40 JKGB CCc1ccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 2359635 ADEKPXGKIYFLBX-AFUMVMLFSA-N 478.668 5.788 50 40 JKGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)cc1 2395248 YTCZRXLHPFSIAS-XSFVSMFZSA-N 491.956 5.095 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 3242705 BYHNELZDRQSMMJ-LDADJPATSA-N 453.325 6.127 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)[C@H]1CC1(c1ccccc1)c1ccccc1 3659591 SPVINALPNWKUBD-MMQHPSSSSA-N 475.375 6.710 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC(=O)c1cccc2ccccc12 12590262 HYWYYFFJOZDMAQ-KGENOOAVSA-N 492.487 5.311 50 40 JKGB CCn1c(SCC(=O)N/N=C\c2c3ccccc3cc3ccccc23)nnc1-c1ccc(C)cc1 13940969 RGTMEDRWWYJKSK-RHANQZHGSA-N 479.609 5.822 50 40 JKGB N#CC1=C(N)O[C@@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1cc(Cl)ccc1Cl 16488822 GRJUKLJTUXBPKT-JTDSTZFVSA-N 453.251 5.182 50 40 JKGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 20247319 GJYVZCSNKCUIEY-ZZYREXKBSA-N 481.577 5.084 50 40 JKGB COc1ccc(CSc2nnc(SCC(=O)/C(C#N)=C3/Sc4ccccc4N3C)s2)cc1 24047570 CQTNSEOVQNYYNQ-CAPFRKAQSA-N 498.680 5.477 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc(F)cc1 34701899 STSFMLCRRUDQDQ-PDGQHHTCSA-N 456.477 5.101 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1ccccc1F 59117168 PBYMFJJAGOEXED-PDGQHHTCSA-N 451.295 5.713 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 59432878 UMXSUSHRDQMKAK-DEDYPNTBSA-N 477.358 5.891 50 40 JKGB O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1cccc(Br)c1 59447389 DBBOPXOVNXXCBH-JVWAILMASA-N 459.343 5.945 50 40 JKGB C/C(=N\NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(I)cc1 59473403 UBCCUUWTKSGJPU-LFVJCYFKSA-N 486.378 5.738 50 40 JKGB COc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)ccc1OCc1ccccc1 59474299 WBXCXBMUZOWJSU-VULFUBBASA-N 454.979 5.311 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1Cl 216042231 NRPJJUQBAPUQCC-MUXKCCDJSA-N 471.384 5.891 50 40 JKGB O=C(Cl)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 226333974 WPOIIRREPLFSAT-QHHAFSJGSA-N 467.517 5.956 50 40 JKGB Cl[PH]1(Cl)N[PH](Cl)(Cl)N[PH](Cl)(Cl)N[PH](Cl)(Cl)N1 263621385 OBQOUEZFNGVERH-UHFFFAOYSA-N 471.612 5.908 50 40 JKGB CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 408725601 LCIOPBOVJFEYKK-DHDCSXOGSA-N 474.311 5.090 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 408727412 WNVJHNGOUXHXRJ-OCSSWDANSA-N 485.374 6.763 50 40 JKGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2c(C)nc3ccc(Br)cn23)c1C 408782558 IHCXGNZQBYOKPQ-RPPGKUMJSA-N 478.394 5.194 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408798643 WGIUJMYSZRXGHT-RQZCQDPDSA-N 468.296 6.026 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1c(C)cc(C)cc1C 408819021 WINJHIPKNWAGKU-IBUSPFOHSA-N 454.570 5.984 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1c(C)ccc2ccccc12 408819557 ZIFGRBOTFLBENH-HZHRSRAPSA-N 496.994 7.325 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)c(OC)cc1Cl 408832837 QPDUCNZQHMRKPB-WOJGMQOQSA-N 493.903 5.390 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(C)c1OCc1ccc(Cl)cc1Cl 408858628 QZUJNMATWLIGCU-RPPGKUMJSA-N 472.328 5.861 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2Cl)c1 408874887 BUJUPGHZBKOTMW-FYJGNVAPSA-N 479.805 6.856 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2F)c(Br)c1)C(=O)Nc1ccccc1F 408876895 OQCLHUAIDAJGNA-WOJGMQOQSA-N 453.286 5.864 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 408891973 WOROBJJKQWBRIF-RCCKNPSSSA-N 476.554 5.016 50 40 JKGB O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc(Cl)cc1Cl 408899237 OHLDCGRUQIPSRL-RWPZCVJISA-N 463.320 6.130 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1OCc1cccc2ccccc12 408900823 XRQULJOBJOJUDJ-PXLXIMEGSA-N 479.492 5.881 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 408923456 IOODGERSDHEMPR-RCCKNPSSSA-N 487.386 7.580 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(C)cc1 408963734 OUMVGJFPVQMTIC-VFLNYLIXSA-N 476.882 6.019 50 40 JKGB Cc1c(Br)cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1Br 408968372 YFGUIDBKSVVKND-SCDVKCJHSA-N 464.972 5.591 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)cc1Cl 408985997 YZMUISAXKKZQTM-ODLFYWEKSA-N 482.809 6.673 50 40 JKGB O=C(COc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1)Nc1ccc(F)cc1 409015706 PVLXYXLNYPFQAR-WKIKZPBSSA-N 465.868 5.007 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 409079149 KCJWGVMOQGWPRH-MHWRWJLKSA-N 489.247 7.233 50 40 JKGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 409259647 BWPJHIKGVORPAS-WGOQTCKBSA-N 476.489 5.286 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409263463 MUFMFOVMXLGSNL-LDADJPATSA-N 463.877 5.338 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2Cl)cc1OC 409321920 ICWOSRNXJXWRNK-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB Cc1ccc(NC(=O)N(NC(=O)c2ccc(C)cc2)c2nc(-c3ccc(C)cc3)cs2)cc1 1415227 NZTAODQQRDQRMY-UHFFFAOYSA-N 456.571 6.119 50 40 JKGB Cc1ccccc1C[C@@H]1S/C(=C(/C#N)C(=O)NCc2ccccc2)N(c2ccc(Cl)cc2)C1=O 1790417 FFONBSFQDNWJHT-FYAMCCBRSA-N 488.012 5.391 50 40 JKGB CCCCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3c(C)cc(C)cc3C)o2)cc1 2670670 RTLSAFGJGNYUMZ-KQWNVCNZSA-N 456.542 6.374 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(CCOc3ccc(Cl)c(C)c3)c3ccccc23)cc1 2768888 DRGYPBIYGDYZEV-HEHNFIMWSA-N 499.998 6.627 50 40 JKGB C=CCSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1 6137128 OMCDQJLKPDUHGL-NRFANRHFSA-N 456.398 6.247 50 40 JKGB Cc1ccc(-c2cc(C(=O)NNC(=O)NC34CC5CC(CC(C5)C3)C4)c3ccccc3n2)c(C)c1 8454451 CTHUSITUYQOCBE-UHFFFAOYSA-N 468.601 5.431 50 40 JKGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 8762928 KFLIIZILEINZCL-KBKYJPHKSA-N 468.167 6.643 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCc1ccc(Br)cc1 12590765 HVXUJEJSVVSAHY-CPNJWEJPSA-N 491.410 7.101 50 40 JKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1F 16732622 BABZOWKKQRYPGC-XSFVSMFZSA-N 452.489 5.541 50 40 JKGB N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C\c2cccc(F)c2)[C@H]1c1cccc(F)c1 19816100 XGLGJCHXVFCTJP-PKUYGVDJSA-N 467.519 5.626 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 20197287 SZIBUCOUEVDXSI-WGOQTCKBSA-N 467.363 5.581 50 40 JKGB Cc1ccccc1OCC(=O)N/N=C/c1c(Br)c(C)n(-c2c(C)cccc2C)c1C 20243716 OUKZNQVOWDCGPB-LGJNPRDNSA-N 468.395 5.311 50 40 JKGB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)N/N=C/c5cc(Br)ccc5F)(C4)C2)C3)cc1 33727161 XXPTYNOPNGYVLP-UZABYYKOSA-N 469.398 5.885 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 59484055 ZBVYOXLFIHKWCJ-MTJSOVHGSA-N 491.385 6.199 50 40 JKGB COc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N=C2CCCC(O)=C21 104083205 JRMQEASNXLRNSA-HSZRJFAPSA-N 479.989 5.990 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408543385 QRPHXWLFQZDMGO-ULJHMMPZSA-N 492.579 5.841 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 408598514 BYJAYPLFBGAXQO-IWIPYMOSSA-N 453.929 7.387 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1ccc(N2CCCC2)cc1 408677451 QUDKQARBWSLVOV-WKULSOCRSA-N 486.374 6.076 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1-c1ccc2ccccc2c1 408723935 AQWNWQDNLIDHQQ-RDRPBHBLSA-N 475.508 5.673 50 40 JKGB COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C(\C#N)c3ccccc3)c2-c2ccccc2)cc1 408732642 TUOHDMPWFMUQJS-XHLNEMQHSA-N 480.567 7.662 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)c1 408800901 QDGATRHXECDROI-UDWIEESQSA-N 461.905 5.990 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)c(OCc2ccc(Br)cc2)c(C)c1 408853041 PGRPQTUYCLZUSH-HYARGMPZSA-N 475.386 6.499 50 40 JKGB CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1 408881820 KRJAVNLMDGVZBS-MKMNVTDBSA-N 466.706 5.197 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1Cc1ccccc1Br 408883273 OYYGYKLMRSELCL-DEDYPNTBSA-N 477.358 5.690 50 40 JKGB CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br 408946679 AVEMFFMXEFBIEC-BKAYVGFPSA-N 466.379 5.374 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1ccc2c(c1)OCO2 409041285 ULTPLPMPZKUDKR-LJUMEUDFSA-N 488.547 5.802 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 409069812 WWECBIRWRJBXMU-MHWRWJLKSA-N 475.309 5.733 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(C)c1 409258447 VAWDGJWNDGILML-LPYMAVHISA-N 487.987 6.137 50 40 JKGB N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@H]1c1cc(Br)cs1 713278 HVFSDRHESVNBMQ-GOSISDBHSA-N 460.784 5.469 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1 943568 HRARMJLJTCWDBD-YBFXNURJSA-N 479.916 5.658 50 40 JKGB N#CC1=C(Nc2ccccc2)SC=C(c2ccc(Br)cc2)N=C1N1CCOCC1 1382839 GDJWPEGMOXECJV-UHFFFAOYSA-N 467.392 5.072 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)c([N+](=O)[O-])c2)cc1 3089308 PDYRWCJSNBYEQQ-JVWAILMASA-N 453.454 5.040 50 40 JKGB C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 3111967 PBFUWMOOMSXXJD-LJVLJBDNSA-N 454.595 6.191 50 40 JKGB N#CC1=C(SCc2ccc(C#N)cc2)N=C(N)[C@H](c2nc(-c3ccccc3)cs2)C12CCCCC2 8686772 NPUKZPNLKRCUCX-XMMPIXPASA-N 495.677 6.755 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 9289438 BMFPWUDXPMGGGV-AFUMVMLFSA-N 471.738 5.015 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 9404121 WGHSKSOJKPQSDN-GDNBJRDFSA-N 498.366 6.985 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 9762090 BQCANYVCBBZSBT-GZTJUZNOSA-N 451.841 5.512 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 10315698 LUAUCPDPXLXMEB-ZCTHSVRISA-N 461.565 5.934 50 40 JKGB Cc1ccc(-c2cc(C(=O)NNC(=O)c3ccccc3Cc3ccccc3)c3ccccc3n2)cc1 12638521 GCSMZVSNVIIUQY-UHFFFAOYSA-N 471.560 5.876 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCC(=O)c1ccccc1 13658710 UMSWUEBXBZUAHQ-FYJGNVAPSA-N 470.525 6.284 50 40 JKGB CC[C@@H](C)c1ccc(OCCOc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1 16157734 DRASBRCUUJDBGY-OHQZHEALSA-N 489.015 7.165 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1nc2ccccc2s1 16408963 CRJYDYXQDYUSNZ-FMIVXFBMSA-N 452.289 6.291 50 40 JKGB CCC(=O)N/N=C(/C=C/c1cccc(O)c1)c1sc(Nc2ccc(C)cc2[N+](=O)[O-])nc1C 17210587 AYQGDCRHPBIPGC-UUMLTXLFSA-N 465.535 5.061 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc(C)cc1 33491666 VPRBEOIFCHPSMR-MYYYXRDXSA-N 454.526 6.674 50 40 JKGB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)c1 33861211 SEWREGGWXWKEMT-LGJNPRDNSA-N 490.541 5.076 50 40 JKGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1 35088424 WCUYCYRIKHYGOW-MXAYSNPKSA-N 458.301 5.173 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1 59116677 ACUUAQLXHMVUMY-LDADJPATSA-N 467.750 6.227 50 40 JKGB Cc1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(SCC#N)o2)cc1 102477100 SGXSZWWQNOTOOL-UHFFFAOYSA-N 491.576 5.885 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2Cl)N=C2CCCC(O)=C2[C@@H]1c1ccco1 102600459 OVPXTZFSBDCRPE-FQEVSTJZSA-N 474.369 6.228 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 107743250 ZGQVIQZIDLUXIM-FMFFXOCNSA-N 467.572 6.689 50 40 JKGB CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1 169840671 GRNRPZDCHUOWOJ-JKSUJKDBSA-N 474.468 5.490 50 40 JKGB CCOc1cc(/C=C(\C#N)C(N)=S)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408543079 NNUGBWOIJLVOSX-WLRTZDKTSA-N 486.218 5.927 50 40 JKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 408599576 WRAQRRLMISEUBP-RWPZCVJISA-N 499.836 6.743 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)ccc1OCc1cccc(Cl)c1 408719344 BWKCMLUDQMKQAT-NLTKLDOMSA-N 469.006 5.949 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC 408761808 BQBUIZNBDSARHQ-WZUFQYTHSA-N 456.123 5.319 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 408792582 BBIDMJYHJQWHEZ-VCHYOVAHSA-N 499.325 6.044 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1 408797914 TXXGBYORXTYVPH-VXLYETTFSA-N 481.335 6.125 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408826019 SKGHCDCNFNBSKM-MUXKCCDJSA-N 492.915 5.526 50 40 JKGB COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1OC 408885937 BTRJSLJIVDSUSM-XCVCLJGOSA-N 456.669 5.118 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)c(OC)c2)cc1 408887443 QRYZKCCNHZRION-HZHRSRAPSA-N 456.542 5.835 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccccc1C 408898200 VQCJEORAMKFEKU-FYJGNVAPSA-N 491.385 6.281 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 408924686 NPJKPPPAVKQGRN-QGOAFFKASA-N 451.309 6.067 50 40 JKGB CC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 409019939 KZSWKHGJSMYIQC-QPSGOUHRSA-N 450.547 5.458 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 409190891 ATYDLMOJYLHRCZ-JCMHNJIXSA-N 475.545 5.267 50 40 JKGB N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/NC(=O)CSc1ccc(Cl)cc1 409217024 NGJNQWREYDSOCB-OKCVXOCRSA-N 485.996 6.186 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1C 409249902 JMYOWBRWIHKOMX-XDHOZWIPSA-N 475.932 5.226 50 40 JKGB CCc1ccc(CC(=O)N/N=C\c2cc(C)n(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 409363116 JOUBROGXEDOESN-FSGOGVSDSA-N 480.568 5.925 50 40 JKGB COC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2C)=C(C#N)[C@@H]1c1ccccc1Cl 1294987 DWPCONSQELLZNQ-QHCPKHFHSA-N 482.005 5.198 50 40 JKGB N#CC1=C(S)N(c2ccccc2)[C@@H](/C=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)NC1=O 2670591 GLSUONZYFCGARF-MAIVGLDJSA-N 468.365 5.894 50 40 JKGB COc1ccc([C@@H](Br)[C@H](Br)C(=O)c2ccccc2)cc1Br 3119214 JPDFDFODMBDWMZ-CABCVRRESA-N 476.990 5.540 50 40 JKGB CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccsc3)C3=C2CCCC3=O)sc2c1CCCCC2 3666598 KVURQZHXXUYETK-OAQYLSRUSA-N 493.654 5.560 50 40 JKGB Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)c1C 8590251 OKDYRAVWAYCZGN-NBVRZTHBSA-N 450.523 5.778 50 40 JKGB CCOC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1F 9015043 AQBYLCXTEKEWSQ-VXKWHMMOSA-N 495.576 5.091 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 9075482 ODLQYYYWOPRLES-QFIPXVFZSA-N 454.917 5.527 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12 9311511 WPUDWUOTPDDMNH-UNOMPAQXSA-N 460.364 6.851 50 40 JKGB CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccc(F)cc1)=C(C#N)[C@H]2c1ccc(Cl)cc1 9331119 OCQLAYPVWBQHKV-HSZRJFAPSA-N 496.007 5.916 50 40 JKGB CC(C)(C)c1ccc(/C=N/NC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)cc1 15018467 BQVVILNBHUWDDS-MQTNAXNHSA-N 451.570 5.462 50 40 JKGB N#C/C(=C\c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)C(=O)Nc1ccccc1Cl 16735854 FKIDGWFCINZKPH-FYWRMAATSA-N 477.307 5.339 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1cccs1 20029140 IYQCTKYIHMHKPY-HSZRJFAPSA-N 493.654 5.470 50 40 JKGB CC(C)(C)[C@@]1(Cl)C(=O)C(Cl)=C(Cl)/C(=N/C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1Cl 26787320 WEAZOAIXOCOVEX-MMNCZIGJSA-N 452.121 5.079 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1cccc(F)c1 34719477 IROHYTOVIMWXRW-YVLHZVERSA-N 456.286 6.379 50 40 JKGB CCOc1c(I)cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc1OC 35352531 DMZDWEAVKUSZCK-MDWZMJQESA-N 494.379 5.965 50 40 JKGB COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccncc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 36080581 AQSRSTJVCLCJRE-SRUFBDJPSA-N 468.557 5.079 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 59248393 SXRWYZLFVBLNBR-RAXLEYEMSA-N 489.778 6.401 50 40 JKGB N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccccc1 59427572 NFSUJIGBAZGBIH-NHFJDJAPSA-N 456.976 8.529 50 40 JKGB CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 100877463 PKCXPMYVPDMFLU-HAVVHWLPSA-N 491.632 7.158 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(I)cc1)c1ccccc1F 106109913 MEXYYKVELARBAA-AQTBWJFISA-N 455.270 6.073 50 40 JKGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)o2)c1C 408570351 UFYNRJWBRLIGEM-VULFUBBASA-N 496.610 5.049 50 40 JKGB COc1cccc(NNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c1OCc1ccccc1Cl 408612279 YBUCPSSFBRWTPB-FQEVSTJZSA-N 493.991 5.041 50 40 JKGB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)c2C)cc1 408735259 PAYGRNYFCFTWKJ-XQNSMLJCSA-N 490.003 6.559 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1 408745993 PWXKHRNAQNRZIV-BOPFTXTBSA-N 454.755 6.056 50 40 JKGB CC(=O)Nc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)cc1 408757550 ZTFHGJXAFOTTCE-UNOMPAQXSA-N 477.362 5.361 50 40 JKGB N#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Cl 408762734 LBHTYEIMBZQXOF-SDQBBNPISA-N 451.107 5.204 50 40 JKGB CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1OC 408784082 SIPAGNIUDTVWKM-YVLHZVERSA-N 490.341 5.251 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1OCc1ccccc1F 408787144 SIUDOVXONNYKKT-HMAPJEAMSA-N 474.532 6.136 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1c(C)ccc2ccccc12 408800795 PKZDKCPPGAKWKR-PCLIKHOPSA-N 476.576 6.898 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C)c(C)c1 408804895 CBUSVGOBKFNBFF-LPYMAVHISA-N 471.513 5.735 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(C)c(C)c1 408807147 GJHRKCHPZMVVSF-LPYMAVHISA-N 460.961 6.399 50 40 JKGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1ccc(Cl)cc1Cl 408915419 YDURABYITFCUSM-XODNFHPESA-N 487.383 5.727 50 40 JKGB CCCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2cccc(C)c21 409042254 WZQGTBQVHHXOIF-DXJNIWACSA-N 460.581 6.647 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1nc2ccccc2o1 409043807 APFQBNRYLKTLTO-CXUHLZMHSA-N 466.280 6.686 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)c(C)c1 409046350 KDRLUEYWWLSDGH-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1cccc(Cl)c1 409049020 XYHIFEMTYLIXEG-MNBJERMJSA-N 478.983 6.727 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OC)c1OCc1ccc(F)cc1 409075495 WIXKJRYXFIFJHB-PXLXIMEGSA-N 472.516 5.696 50 40 JKGB O=C(COc1c(Cl)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Cl)Nc1ccccc1 409252053 BMSFIWQOSBCHRZ-ZRGSRPPYSA-N 476.747 5.428 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1OCC 409318383 WDLRURHGQLUMAF-MBTHVWNTSA-N 487.383 6.134 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1OCC 409322864 LUOIKZNJRDBPMU-NTFVMDSBSA-N 482.964 5.489 50 40 JKGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(CSc2ccc(Cl)cc2)c(C)cc1C 650891 MVIKBCWWWKTBQK-JOCHJYFZSA-N 454.979 5.504 50 40 JKGB CC(C)Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(F)c(Br)c2)C(C#N)=C(N)O3)cc1 985870 CMVIKGSLAAJMFL-IBGZPJMESA-N 467.342 5.395 50 40 JKGB CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(C)o1 1252434 FFBYKZXPPIVTGY-XNTDXEJSSA-N 485.359 5.801 50 40 JKGB CC(=O)c1cc2c(cc1N/C=C(\C#N)c1nc(-c3ccc(Cl)c(Cl)c3)cs1)OCO2 1753158 KXAADSYPCZTYSF-MDWZMJQESA-N 458.326 6.025 50 40 JKGB COc1cc(/C=N/NC(=O)COc2c(Cl)cc(Cl)cc2Cl)ccc1OCc1ccccc1 1787401 UDIOWOCIYWJHHE-KKMKTNMSSA-N 493.774 5.764 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1 2252105 UJHCCACSFHGGLC-XIEYBQDHSA-N 471.560 6.787 50 40 JKGB COc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1COc1ccc(F)cc1 2263065 DKAUVTFKHWYQFF-UVHMKAGCSA-N 468.937 6.045 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Br)c1O 2317500 NTDDPDIZVUXXQI-VULFUBBASA-N 476.330 5.142 50 40 JKGB O=[N+]([O-])c1ccc([C@H](Br)[C@@H](Br)c2cccc3ccccc23)c([N+](=O)[O-])c1 4265715 DLTPISAPTRFIEL-ROUUACIJSA-N 480.112 6.228 50 40 JKGB biogenic N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 6145176 TVDVLAMPILJBKJ-KGENOOAVSA-N 454.345 5.366 50 40 JKGB CC[C@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccccc1Br 8386278 ZQWTYIXXNJODPX-VQXFCIMOSA-N 490.195 5.673 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc2ncc(Br)cc2[nH]1 8854761 WAQKFVIQEJVSIF-VZUCSPMQSA-N 460.118 6.351 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 9187463 QVPUWIXWOYBUBM-FSJBWODESA-N 496.611 5.490 50 40 JKGB N#C/C(C(=O)Nc1cccc2ccccc12)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 9379732 ANACNVMZHFQITH-SCHJHDHGSA-N 475.573 5.905 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1 9679504 WKERLLAPCBTUHZ-XDHOZWIPSA-N 462.889 5.171 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc(Br)c1O 12140016 NNSUVOUQIGRBAO-WLRTZDKTSA-N 492.192 6.113 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SC)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 20134200 QOVINRNJKMXVOY-DEOSSOPVSA-N 462.571 5.062 50 40 JKGB CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2OC)cc1 27563290 FBFGPIDXCXPPET-ZDSZAHSWSA-N 496.563 5.326 50 40 JKGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 28214892 XBVPVSKEVCATRU-JFLMPSFJSA-N 485.968 5.129 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OCc1ccccc1 33626028 LIUXCZKBCHVWAF-AFUMVMLFSA-N 461.499 5.161 50 40 JKGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 58914724 OYAOSDAOCIGRPN-VROXFSQNSA-N 466.708 5.004 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC(C)C 59117528 GYMNTOMYWKZXGV-AWNIVKPZSA-N 484.177 6.097 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1 59245203 QHUSCFVDNFSGRP-STZFKDTASA-N 460.505 5.748 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccccc1F 59335731 DQWYWBKMZGJBFY-JLPGSUDCSA-N 470.544 6.386 50 40 JKGB C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(Br)cc1 59473761 WOFBUUXBTXTWHD-MFKUBSTISA-N 473.823 6.549 50 40 JKGB O=P(Nc1ccc2ccccc2c1)(Nc1ccc2ccccc2c1)N(CCCl)CCCl 104067946 ATSDBLQZZNGFAT-UHFFFAOYSA-N 472.356 7.405 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1cccc(C)c1 107720273 ZQPOLKTULHXNAH-NHDPSOOVSA-N 478.342 6.108 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)cc1 107889919 JXHCUZFONGKNRP-ATVHPVEESA-N 479.895 5.051 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)cc2Cl)cc1 408568760 WWQMCKCUCIIIFB-IUXPMGMMSA-N 452.316 6.960 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1OC 408582396 NRZAVWCFSMZEHF-DJKKODMXSA-N 498.348 6.257 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(I)c1O 408585149 BNKVWSPTTVHHOI-XGICHPGQSA-N 460.098 5.766 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(Cl)c1 408739638 DNAQFMSGSUYLLO-XODNFHPESA-N 486.786 7.078 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Cl)c2)c1 408745247 QORUTVBAQVUPEE-LSCVHKIXSA-N 481.335 6.155 50 40 JKGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Br)ccc1OCc1ccccc1 408758515 LKPGFXSJBZLOQZ-CCVNUDIWSA-N 491.307 5.740 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408777030 UBUWUYPDLOHUGJ-QNGOZBTKSA-N 486.528 5.184 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(Cl)cc1 408791239 VEOANKYYWIRXLC-CIAFOILYSA-N 495.406 7.134 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccccc1Cl 408791823 DADKHNYMAQBHHF-CIAFOILYSA-N 495.406 7.134 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc2ccccc12 408797034 QSUXAUROIFXGHS-BUVRLJJBSA-N 496.994 7.325 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12 408804821 ZNIYMUMUANQRBK-RCCKNPSSSA-N 487.386 7.580 50 40 JKGB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4cccc([N+](=O)[O-])c4)cc3)sc2c1 408839490 TUUCANHVGFFUDO-LGJNPRDNSA-N 492.944 5.788 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(-c5ccc(F)cc5)o4)cc3)cs2)cc1 408847561 SWDQXJISMRSZBI-OKCVXOCRSA-N 496.567 7.025 50 40 JKGB O=C(N/N=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1cc2ccccc2o1 408852861 WNBSISLQWIVCQM-MXAYSNPKSA-N 494.301 5.446 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1OCc1cccc(Cl)c1 408888511 WIDNYNFVBNKYTL-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2Cl)cc1 408889355 CWZYRMJRACMBPK-WOJGMQOQSA-N 491.887 5.330 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1Br 408895416 MSVNXJCMRQASQE-KGENOOAVSA-N 491.385 6.281 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1 409200936 KMUUMRJCTZJJRP-MUFRIFMGSA-N 475.013 6.623 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 409211326 IPCIIUQBILKBKI-UUYOSTAYSA-N 475.331 7.698 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1ccccc1 409237152 JSCRGWKDXUKRPO-IWEBCOIVSA-N 485.798 7.010 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1ccccc1Cl)C(c1ccccc1)c1ccccc1 409391703 KVSFBTGQSHUYEP-FSGOGVSDSA-N 454.957 6.201 50 40 JKGB COc1ccc(-c2csc(N(NC(=O)Nc3ccc(C)cc3)C(=O)Nc3ccc(C)cc3)n2)cc1 1415246 RYXSOMPISGPASV-UHFFFAOYSA-N 487.585 6.211 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)OC(C(C)(C)C)=C2C#N)ccc1OCc1ccccc1Cl 1476198 NQWGYNHZHJUSQO-HSZRJFAPSA-N 463.965 5.949 50 40 JKGB CC1CCN(C(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)CC1 2308195 RATHZFGWIWJQID-CKVBZJJFSA-N 466.006 5.025 50 40 JKGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1sc2ccccc2c1Cl 2678454 GQGVLMUHRXKLOH-CCVNUDIWSA-N 491.403 6.825 50 40 JKGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCCc1ccccc1 2768635 VFEJIJKZERPHKE-OQKWZONESA-N 452.945 5.459 50 40 JKGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 3090242 HUVFTACEWRJBGV-MUFRIFMGSA-N 457.917 5.275 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2OCc2ccc(Cl)cc2Cl)cc1 3242689 FXXIXKGAOMITRV-LDADJPATSA-N 483.351 6.135 50 40 JKGB CC(C)(C)c1ccc(OCc2ccc(C(=O)N/N=C/c3ccccc3OC(F)F)cc2)cc1 3303935 JADUQFFELSXPST-MUFRIFMGSA-N 452.501 5.928 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 3350168 HJVMHMIZPKKCTK-RCCKNPSSSA-N 462.461 5.303 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 8812203 KKUSJZFKMUIMLC-XODNFHPESA-N 454.332 6.208 50 40 JKGB N#C/C(=C\Nc1ccccc1OC(F)(F)[C@@H](F)Cl)c1nc(-c2ccc(F)cc2)cs1 9057816 LPXRQGBWEJOPLU-YFPIXMDGSA-N 453.848 6.432 50 40 JKGB Cc1c(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc2n1Cc1cccc(C#N)c1 9204924 JTYKBBMENBGCSG-MUFRIFMGSA-N 485.385 5.325 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1O 9311043 NPSWAJVSPKOGTM-VZUCSPMQSA-N 456.123 5.406 50 40 JKGB CCN(CC)CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccs3)cs2)cc1 9375665 UAEMZQSLSAZKOY-OBGWFSINSA-N 452.605 5.347 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1OC 10004076 HRDBZUFSNVBOMG-RWPZCVJISA-N 461.949 5.053 50 40 JKGB CCCn1c(C)cc(/C=C(\C#N)C(=O)N(Cc2ccccc2)c2nc3ccc(OC)cc3s2)c1C 13101665 AJNPNVJSQIHEHN-HZHRSRAPSA-N 484.625 6.274 50 40 JKGB CCCSc1nc(NNC(=O)c2ccc(OC)cc2)c2c3c(sc2n1)CO[C@](C)(CC)C3 13770689 UMQUYNOHAHXZRA-HSZRJFAPSA-N 472.636 5.200 50 40 JKGB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\NC(=O)c1cc3n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(F)cc1)N3)C2 13959404 FBMLHCJNVNTSAR-RXFZGMAYSA-N 477.506 5.615 50 40 JKGB O=C(NC1CCCCC1)NN(C(=O)NC1CCCCC1)c1nc(-c2ccc(Cl)cc2)cs1 16956852 DTGIACHYURQEFO-UHFFFAOYSA-N 476.046 5.859 50 40 JKGB CCCc1ccc(-c2cc(C(=O)NNC(=O)NC34CC5CC(CC(C5)C3)C4)c3ccccc3n2)cc1 20595909 FRTSJNLFOMNMDB-UHFFFAOYSA-N 482.628 5.767 50 40 JKGB C/C(=N\NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 21966566 DEZULSXTRRMWGA-WEMUVCOSSA-N 461.565 5.142 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1 33509213 RUXOPSNZGLEAOF-XODNFHPESA-N 475.854 5.027 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(OCc5ccccc5Cl)cc4)c3C)[nH]c2c1 33725219 WSRYLICIPSDRSF-JLPGSUDCSA-N 493.010 7.575 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1 59117034 YUAPPAZXWFOVBW-YBFXNURJSA-N 481.777 6.536 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(Cl)cc1 59117385 ZRBQQAKMZDQNTF-LICLKQGHSA-N 487.770 6.780 50 40 JKGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 59401583 DUMSLSVZHJBYEP-KBVAKVRCSA-N 499.035 6.872 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc2ccccc12 59536488 YORPGINXPXCZNL-XKZIYDEJSA-N 470.912 7.053 50 40 JKGB CCOc1ccc(NC(=O)C(=O)N/N=C2\CC[C@@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]23C)cc1 71785139 MNXVBXWQINRGGF-VVDVVGJLSA-N 489.616 5.061 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)N=C2CCCC(O)=C2[C@H]1c1ccco1 100703288 CCNVGAUUCVCERX-HXUWFJFHSA-N 473.476 5.940 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)cc2)cc1 207151916 OTXFBJRJLODVFR-HKWRFOASSA-N 477.358 5.972 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)Sc1nc2ccccc2[nH]1 408598985 MXJWURMKKJHLDS-DEDYPNTBSA-N 462.372 6.561 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\C2=C(C)[C@@H](c3ccc(OCc4ccccc4)cc3)C(C)=C2)cc1 408744405 LBJRMZUCGLKWSU-KMYVYOQISA-N 490.603 7.113 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 408763739 UOLGGGGIVQMYPO-HMMYKYKNSA-N 474.900 5.282 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408799526 ZTAUHWHATGZBBL-VCHYOVAHSA-N 467.308 5.816 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(C)c2)cc1 408803448 PBBFPKMZJFCKPA-HYARGMPZSA-N 474.944 5.950 50 40 JKGB Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1C 408805839 HWCPBVFHJSGXHL-UDWIEESQSA-N 451.353 6.735 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408820327 VPQSTMPNPUWWLL-UWVJOHFNSA-N 465.303 5.317 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1 408840762 ZYYRDARPQIBSSW-RDRPBHBLSA-N 483.641 6.472 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1Cc1cc(C)cc(C)c1 408874681 FBNDTYWKEBTGSG-SRZZPIQSSA-N 489.959 6.400 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1 408891053 KMSVZZGVIYVQLQ-RQZCQDPDSA-N 498.322 6.035 50 40 JKGB O=C(N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccc(Cl)c(Cl)c1 408925691 SVWUOFPPPSGVKK-IPPBACCNSA-N 483.782 7.143 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1OCc1cccc2ccccc12 409042993 OZVDYNPAJXWXAP-LQKURTRISA-N 485.496 5.195 50 40 JKGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NN=C3CCC(C(C)(C)C)CC3)cc2)cc1 409125953 AJTLZPLVIFZCDT-UHFFFAOYSA-N 455.624 5.142 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1cccc2ccccc12 409130731 UMXGVIUNCNPBNM-HHHXNRCGSA-N 465.553 5.157 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 409188312 GJGOODZEWMYKAP-LQKURTRISA-N 493.947 5.718 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 409257744 UQKIIPNRILSLRU-MBTHVWNTSA-N 479.964 5.137 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCC(=O)Nc4ccccc4)c(OC)c3)[nH]c2c1 409390994 GPETYPWKOURJGO-YVLHZVERSA-N 488.931 5.315 50 40 JKGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c(O)c1 409392727 RMTDEWWLMJSORE-BRJLIKDPSA-N 489.753 5.160 50 40 JKGB Cc1c(Cl)cccc1NC(=O)c1ccc(OCC(=O)N/N=C/c2ccccc2Cl)cc1 959097 CCRSPZFOKIKRDV-LGJNPRDNSA-N 456.329 5.083 50 40 JKGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccccc1OCc1ccc(Cl)cc1 989344 GWIUHGHLKUMMKD-QFIPXVFZSA-N 456.885 5.244 50 40 JKGB C[N+](C)(CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21)CCCCBr 1830040 PBXASSYHVNCBJI-NVMNQCDNSA-N 451.881 6.878 50 40 JKGB CC(C)(C)C1=CC(=NNC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C=C(C(C)(C)C)C1=O 2157757 CEMGHGUWXODPHR-UHFFFAOYSA-N 466.666 6.601 50 40 JKGB C=CCOc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1Cl 2162149 SNVPEHXGXBGRMP-KKMKTNMSSA-N 494.926 5.817 50 40 JKGB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl 2286323 SCRSBUQUXRIKQQ-MHWRWJLKSA-N 471.365 6.444 50 40 JKGB Cc1ccccc1C[C@H]1S/C(=C(\C#N)C(=O)Nc2ccc(F)cc2)N(c2ccc(Cl)cc2)C1=O 2406362 KDXLRSWOPLHZBC-QPQMVVSWSA-N 491.975 5.853 50 40 JKGB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccccc1OC(C)C 2670124 WXAQLNCQRZIXNK-XSFVSMFZSA-N 460.555 5.925 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 2670782 KRZPRQGGDONYRX-SFQUDFHCSA-N 490.928 6.101 50 40 JKGB N#C/C(=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccccc2)cs1 6060205 WGEYBVUQPGARCA-DTQAZKPQSA-N 465.585 5.044 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 9187106 BSWMVBROKOEXJG-GZTJUZNOSA-N 464.750 6.622 50 40 JKGB COc1cc([C@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)ccc1OCc1ccccc1 9693533 PDEVAVWXFDETNC-XMMPIXPASA-N 497.620 5.802 50 40 JKGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc2ccccc2c1 9934763 DCJIJSQMDLQOTH-MFKUBSTISA-N 456.414 5.212 50 40 JKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3cccc4ccccc34)ccc2O)cc1 10059252 CFMQSNZUDDQALA-SAAAJBMOSA-N 480.568 7.003 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Sc3nc(C)cc(C)n3)c([N+](=O)[O-])c2)c1 12469498 FLTKVEXQEZHDKL-YBFXNURJSA-N 459.531 5.315 50 40 JKGB C/C(=N\NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccccc1Br 12658318 MKRYYGHPMPYWMZ-CVKSISIWSA-N 496.455 6.505 50 40 JKGB C/C(=N\NC(=O)CSCc1ccccc1Cl)c1cccc(NC(=O)c2ccccc2)c1 13152061 QQJRZEUHHGKBIK-WPWMEQJKSA-N 451.979 5.366 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1F 13465138 KYRYFSOKWQJPOA-JFLMPSFJSA-N 472.432 5.010 50 40 JKGB Cc1c(Br)c(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccccc1 20243692 XYSYPEWISYYFPY-WYMPLXKRSA-N 476.827 5.752 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2cccnc2)cc1C 27018810 WNHZNSLSHFTDIA-LFVJCYFKSA-N 477.568 5.255 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(Br)c2)cc1 33296125 IRKRBWDMJROOSQ-UYRXBGFRSA-N 463.331 5.582 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c1 33618177 ALWMLSKRTDYNHS-MUFRIFMGSA-N 474.944 5.853 50 40 JKGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 44965597 RYNVRJSOADTGBR-MUFRIFMGSA-N 481.040 6.077 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cccc(Cl)c1Cl 59117317 GUJJYPZXDOCBQV-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB COc1ccc(-c2ccc(/C=N/NC(=O)C3c4ccccc4Oc4ccccc43)o2)cc1Cl 71335796 TXDDIUUZJUFVTG-RWPZCVJISA-N 458.901 5.997 50 40 JKGB Cc1cccc(NC(=O)[C@]23CC[C@](C(Br)Br)([C@@H]2Br)C3(C)C)c1 100701137 JLZHFDPKQJHPFY-VUCTXSBTSA-N 494.065 5.619 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3)N=C3CCCC(O)=C32)ccc1O 104144826 KXACLGNBIQVOGI-XMMPIXPASA-N 475.570 5.351 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccccc1Cl 108141568 DMOBGSIKSUWPSR-FYJGNVAPSA-N 457.961 6.875 50 40 JKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 408538729 PVDNITNYWXBBBO-XMHGGMMESA-N 460.496 6.609 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1cccc(Cl)c1Cl 408591557 UWJXEVDWOBMRBN-BHGWPJFGSA-N 465.178 5.927 50 40 JKGB O=C(O[C@@H](C(=O)c1ccccc1)[C@H](Br)c1ccccc1)c1ccc(Br)cc1 408688215 WNGUPILGSMHKRV-TZIWHRDSSA-N 488.175 5.994 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c(C)n1-c1ccccc1Br 408692679 SAQDCXXXQWBWLQ-BRJLIKDPSA-N 459.775 5.072 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 408767917 RCDNOZARUDNYAV-WQRHYEAKSA-N 485.342 6.656 50 40 JKGB N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)c1nc2ccccc2[nH]1 408775519 TYDMBTIBRJIBLB-SDXDJHTJSA-N 454.986 7.027 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408785495 GNPRSHJKJDSZQJ-GHXNOFRVSA-N 461.688 6.151 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br 408797205 QJEDVNSLJFSHDV-WUXMJOGZSA-N 495.127 5.064 50 40 JKGB COc1c(Br)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1 408797641 SFYAAZDZKQOQDI-IZZDOVSWSA-N 470.548 5.419 50 40 JKGB CCOc1cc(/C=N/NC(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1 408855005 LRPNSDUPBMXFCL-CVKSISIWSA-N 482.378 5.891 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1Cc1cc(C)cc(C)c1 408874827 BIINUOCGMNWYNE-RGVLZGJSSA-N 465.380 6.755 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1cc(C)cc(C)c1 408878997 CDWFYVUMZCZNJC-RGVLZGJSSA-N 464.924 6.229 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccccc1Br 408887078 LWKIZLHSTJWQBG-LDADJPATSA-N 481.321 5.721 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1cccc2ccccc12 408896948 UZPHQGRVPPECNA-STBIYBPSSA-N 472.928 5.875 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)o1 408976308 AKZRGNMWNOEQPJ-HGFFDCOOSA-N 496.523 5.175 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)C(=O)Nc1ccccc1Cl 409040573 GSUHFJNEAGAPPF-LICLKQGHSA-N 457.744 6.771 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)cc1 409049566 WOHABLAITYCHMX-LICLKQGHSA-N 487.770 6.780 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 409059722 XHARNMNAFZTJFV-XDHOZWIPSA-N 475.932 5.220 50 40 JKGB COc1cc(/C=N\NC(=O)c2cccc(Cl)c2)c(Br)cc1OCc1ccccc1F 409081529 PVPGEVOPHLMHCH-ZRGSRPPYSA-N 491.744 5.593 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)COc3ccc(-c4ccccc4)cc3)c2C)cc1 409188077 WTBSPZGWEXFOHF-FSGOGVSDSA-N 467.569 5.689 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 409227809 RGNJGBGBSVKMTO-BIZUNTBRSA-N 477.539 6.025 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)cc1C 409260505 RGSPDVAXGIKWJT-XDHOZWIPSA-N 494.378 6.173 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(OCc4c(F)cccc4Cl)cc3)CC2=O)cc1C 409264231 PWLGTHHQVNGKDJ-HCXDNJAASA-N 493.966 5.178 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1Cl 409267138 MBGWSSYNHXLGGZ-XSFVSMFZSA-N 489.959 5.610 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1OC 409310784 BUGLZRIUGRXQSX-VYYCAZPPSA-N 456.901 5.229 50 40 JKGB CCCCOC(=O)c1ccc(NC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)cc1 1801205 RHSUCNZCXOOCQP-ZWKOTPCHSA-N 483.200 5.482 50 40 JKGB CCc1ccccc1N/C(SCc1c(F)cccc1Cl)=C(/C#N)S(=O)(=O)c1ccccc1 2713075 QWLZPHASQCLCOZ-WCWDXBQESA-N 487.021 6.553 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 2774270 ZEGFMSFZHQDUKC-LSHDLFTRSA-N 478.686 5.043 50 40 JKGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 3231323 VNVUIZQPAIOKBO-LDADJPATSA-N 481.335 5.905 50 40 JKGB CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CC(C)(C)C3)cc1 3664806 ROVZURGXFCDGQN-RUZDIDTESA-N 485.588 5.382 50 40 JKGB O=C(N/N=C/c1ccc(N2CCCCC2)s1)c1cc(-c2ccc(F)cc2)nc2ccccc12 13134109 LHIHBWFQFCMRJX-OGLMXYFKSA-N 458.562 5.857 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(-c3cccc(C(F)(F)F)c3)c2Cl)cc1OC 15910524 AYLHACVDPKFSQF-NTEUORMPSA-N 490.869 5.416 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 27532476 PEPUCKCJXBRCFP-UKTHLTGXSA-N 472.682 5.816 50 40 JKGB O=C(COc1cccc(/C=N\NC(=O)c2ccc(Cl)cc2)c1)Nc1ccc(Cl)c(Cl)c1 33680122 ROPFAASFIKSGPI-ZRGSRPPYSA-N 476.747 5.428 50 40 JKGB N#C/C(=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccc(I)cc1 34688823 NUTUFLWNQXHQJH-JXAWBTAJSA-N 494.288 5.056 50 40 JKGB CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 38682262 FFSWGXBYYFFEPO-JOCHJYFZSA-N 483.376 6.153 50 40 JKGB CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCCl)CC[C@]4(C)[C@H]3CC[C@]12C 70698595 GDOXPOQXTZCSGF-JPBOBPJZSA-N 491.200 9.247 50 40 JKGB biogenic N#Cc1ccccc1Cn1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c2ccccc21 408526140 AGNCLPJWHJAINH-HIWRWHBISA-N 475.474 5.142 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC 408537925 ICOQEFJUUPZQTC-KGENOOAVSA-N 499.449 6.969 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1cccc(C)c1 408540666 AVUSBHRWQYABBK-UUYOSTAYSA-N 492.369 6.498 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 408581986 KNYIWIIUNSEONA-WOJGMQOQSA-N 474.365 6.142 50 40 JKGB O=C(NNc1ccc(OCc2c(Cl)cccc2Cl)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408603276 GCUXKQCMYPFAQZ-OAHLLOKOSA-N 488.346 5.208 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1OC 408745120 PNXVDESBYUUDJO-ZROIWOOFSA-N 492.167 5.331 50 40 JKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c1 408820625 XNBUKWSKAALGMQ-DEDYPNTBSA-N 474.391 7.159 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408836099 ZEHAOOGWNBKUPK-LDADJPATSA-N 453.325 6.127 50 40 JKGB COc1ccccc1C(=O)N/N=C/c1cc(C)c(OCc2ccc(Br)cc2)c(C)c1 408849116 USXFYJFLCMOMAK-VULFUBBASA-N 467.363 5.417 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 408858790 PPHOSOFSUKEHNK-BYNJWEBRSA-N 491.657 5.359 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)c(OC)c2)cc1 408866656 HSGJIJDFZISZRI-ZVHZXABRSA-N 454.526 5.235 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)cc1 408897962 JOEISFDKTBIULP-RPPGKUMJSA-N 477.731 5.639 50 40 JKGB Cc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccc(F)cc1 408976507 BAPOHANRRQLQFO-IEDNCLQISA-N 482.559 5.245 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1 408982065 XLQLGBYELKGHPI-MOYYISEASA-N 474.344 5.581 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)OCO3 409097704 JCDYUCWAXLUNRQ-QHCPKHFHSA-N 467.308 5.519 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cn(Cc4cccc5ccccc45)c4ccccc34)cc2c1 409186387 BJCNKIYHNUFABX-CAQPMQTCSA-N 487.559 6.752 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1OCC 409322193 JFFNEGKYGZVBGR-RHANQZHGSA-N 480.992 6.179 50 40 JKGB C[C@H](C1=C(c2c(N)ccc3ccccc23)CC(C)(C)CC1=O)c1ccc(N(C)CCCl)cc1 409336108 SFBUDBOMPCCZKF-IBGZPJMESA-N 461.049 7.043 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(N)=C(C#N)[C@H]2c1ccc2c(c1)OCO2 706241 FNGMXCDGEMTQMA-XMMPIXPASA-N 498.608 5.168 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)ccc1OCc1cccc2ccccc12 867454 WZTDXVDPTOMYNK-FYJGNVAPSA-N 497.482 6.020 50 40 JKGB Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)Oc3ccc([N+](=O)[O-])cc3)c2c1 2360987 JOTNLTXBQWWCGL-UHFFFAOYSA-N 463.287 6.100 50 40 JKGB CN(C)c1cccc(C(=O)N/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 2766043 LSBQDIZPMVLGLG-FSJBWODESA-N 478.799 5.677 50 40 JKGB O=[N+]([O-])c1ccc([C@@H](Br)[C@@H](Br)c2cccc3ccccc23)c([N+](=O)[O-])c1 4265712 DLTPISAPTRFIEL-ZWKOTPCHSA-N 480.112 6.228 50 40 JKGB biogenic COc1ccccc1[C@@H]1C(C#N)=C(SCc2ccco2)NC(C)=C1C(=O)Nc1ccccc1 9761183 ORDWGKBHTGQSBK-XMMPIXPASA-N 457.555 5.556 50 40 JKGB COc1ccc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c(Br)c1 15134822 MEGOQEQSDWJJDH-VULFUBBASA-N 463.331 5.293 50 40 JKGB Cc1c(CC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc2n1Cc1ccccc1 18191843 HOLHTGFCWYDRHO-UHFFFAOYSA-N 473.576 5.669 50 40 JKGB N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Br)cc1 59565554 ZTGXMTMYHLPGAK-ACCUITESSA-N 459.752 6.392 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1ccccc1F)c1cc2cc(Br)ccc2o1 83313329 ANNJBBPSFIUCKQ-ZMFRSBBQSA-N 467.294 5.677 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1cc2cc([N+](=O)[O-])ccc2s1 108932060 FVOZUTXSUZUSTL-DHRITJCHSA-N 465.918 5.806 50 40 JKGB Cc1c(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1ccccc1Cl 408530459 LWRMHJUABZOJCN-HIWRWHBISA-N 498.936 6.232 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=C(/C#N)c3cccc(Br)c3)c3ccccc32)c1 408542829 OELNWSKSUXUWFQ-BKUYFWCQSA-N 471.354 6.303 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1ccc2ccccc2c1 408549482 UHQUPZSECYHSFR-NKVSQWTQSA-N 499.224 9.097 50 40 JKGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 408606702 AHKSOAJXARFOGB-MZJWZYIUSA-N 470.356 5.224 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1OCc1ccccc1C#N 408794455 JDLDYGMNUOHSHQ-PCLIKHOPSA-N 493.563 5.819 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1F)C(=O)Nc1ccc(OCc2ccccc2)cc1 408798269 VTUUPJVCLBYVFH-XIEYBQDHSA-N 478.523 6.529 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2F)c(Br)c1 408868487 AAAQWWACFSWWHX-VXLYETTFSA-N 483.768 6.687 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(Br)c2)cc1 408873733 VGGFRNDDCOQOJW-FYJGNVAPSA-N 463.350 6.287 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(Br)c2)c1C 408877058 PBESOKNTAUJCSJ-CIAFOILYSA-N 463.350 6.342 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1Cc1cc(C)cc(C)c1 408877841 YUJLNECSMHBKCB-FSJBWODESA-N 458.989 6.719 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c(OC)c1 408882477 NHUQVZIBMGPBBM-UDWIEESQSA-N 494.389 5.097 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)cc(Cl)c1OCc1ccccc1 408889409 GIPJLVWSVVPURH-JFLMPSFJSA-N 452.938 5.399 50 40 JKGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408894075 IRXIVJFRMRBNDU-MDWZMJQESA-N 462.687 5.121 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1OCc1ccccc1 408894831 JECXHVGMLQNDHG-RQZCQDPDSA-N 498.322 6.035 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1OCc1c(Cl)cccc1Cl 408895856 OIADOUPDPIDZFG-LFIBNONCSA-N 497.334 5.825 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)ccc1Br 408903879 AUCGVCFDHKHWRR-MSXFZWOLSA-N 459.775 5.974 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)c1 408935553 GAEUYFBNCSSCRA-RDRPBHBLSA-N 466.541 5.284 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1C 409180852 SPCFTUBXRRSSFJ-IPPBACCNSA-N 464.396 6.306 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2Br)cc1)c1ccco1 409190655 URHABQOJKKWORI-JJFYIABZSA-N 478.140 5.148 50 40 JKGB N#CC1=C(N)Oc2c(Br)cc3cc(Br)ccc3c2[C@@H]1c1ccccc1 692208 YJAOQWIYPDFWKU-QGZVFWFLSA-N 456.137 5.583 50 40 JKGB CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OC 2118014 PFVPCFPWPBUBOY-RUZDIDTESA-N 458.562 5.285 50 40 JKGB O=C(NN[C@H](c1ccccc1)c1ccc(Br)cc1)C(O)(c1ccccc1)c1ccccc1 2311495 XIJUQKUWXZOBCP-RUZDIDTESA-N 487.397 5.095 50 40 JKGB CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1OC 2669847 JGLQCXHVYIJGON-LDADJPATSA-N 456.564 5.275 50 40 JKGB N#CC(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)=C1Nc2ccccc2N1 3292292 GSOPCXLCRWZMCL-UHFFFAOYSA-N 486.507 5.146 50 40 JKGB Cc1ccccc1N[C@@H](C)C(=O)N/N=C\c1ccccc1OCc1cccc(Br)c1 8399250 GLMVTVQTPRBKPQ-OMTSMLQXSA-N 466.379 5.287 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1 9909707 CJIARGUHXPUPCA-CXUHLZMHSA-N 491.922 6.350 50 40 JKGB COc1ccc(C/C(C)=N/NC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)cc1 12566413 SRNOAEXGWMOZIT-NDZAJKAJSA-N 463.537 5.357 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1C 27019909 MYVYRAVFAMWUSI-UEKTYDJUSA-N 488.591 6.197 50 40 JKGB CCOc1cc(/C=N\NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccco1 30738533 YFUPGVWZDDSBPC-OXFZMSJFSA-N 474.557 5.449 50 40 JKGB COc1cccc(/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)c1OCc1ccc(Cl)cc1Cl 31783790 CUCIOGOAJJALOI-MTJSOVHGSA-N 488.392 6.228 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OC 34856820 MUOQDHFMJFPQLR-LDADJPATSA-N 459.340 6.389 50 40 JKGB Cc1c(Cl)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 59336322 DIZCJAKNPPZUNS-BOPFTXTBSA-N 458.776 6.908 50 40 JKGB Cc1ccccc1[C@H]1C(/C=N\NC(=O)c2ccc([N+](=O)[O-])o2)=C(c2ccccc2)Oc2ccccc21 100103907 OBEBQXKELCDIAN-XAVTVXAQSA-N 479.492 5.848 50 40 JKGB CCCCOc1cccc(N/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 100179635 LXOWCNLLKCYPIH-CLCOLTQESA-N 451.595 7.633 50 40 JKGB CCCCCCCC[C@H](Br)C(=O)c1cc(C)cc(Br)c1OC(C)=O 100932594 DYXMNQFRJBOFQG-INIZCTEOSA-N 462.222 6.380 50 40 JKGB Cc1cc2c(cc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)[C@H](C)CC(C)(C)N2C 208209160 VGBOCVWDXFYZPW-FRDWBBKPSA-N 455.602 5.103 50 40 JKGB CCC[C@@H]1Nc2c(C(=O)O)ccc([N+](=O)[O-])c2[C@@H]2[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]12 245231444 COGRKLXBUHSTNJ-AQUZGUSBSA-N 491.953 5.667 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OC(C)C 408550311 FVHPSAZYCKZRFB-NHDPSOOVSA-N 483.349 6.694 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(Cl)c2)cc1 408744668 GKCZAIPJVNOJCN-IUXPMGMMSA-N 497.334 5.855 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cc(C(=O)O)ccc1Cl 408746871 WZZCRSHHQOBUOT-YVLHZVERSA-N 454.313 5.645 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc2ccccc2c1 408796755 PUPSCRPOHOLCTR-ZVHZXABRSA-N 482.967 7.017 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C)c(C)c2)cc1 408808819 GHCNQRPMLDZGQP-LPYMAVHISA-N 474.944 5.868 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccccc2)cc1 408824340 GVASCLJJQUZJOM-ULJHMMPZSA-N 481.983 6.872 50 40 JKGB O=C(N/N=C/c1ccccc1O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 408842400 JUMAFEMUVIGHFW-RPPGKUMJSA-N 484.364 5.930 50 40 JKGB O=C(N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)Nc1cccc(Cl)c1 408849773 YWGYQZQQJGVJSO-YVNNLAQVSA-N 485.190 6.656 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1Cc1ccccc1Cl 408870155 VPGRDJIKZOZZIC-DEDYPNTBSA-N 451.353 6.529 50 40 JKGB Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1 408879043 AHKNWIBNCZCZAG-LFVJCYFKSA-N 461.521 6.501 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(N3CCCCC3)cc2)cc1 408945991 OOMRTEBUVAIYOL-VAMRJTSQSA-N 462.597 6.207 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1F 408983942 OSLBYBWLHSBIGU-YBFXNURJSA-N 499.369 6.964 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409271524 MBVZTNQWPDZIBR-HMAPJEAMSA-N 469.541 5.184 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2)cc1OCC 409309883 NOFMHDCUEDWDNI-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2)cc1OCC 409320679 CIIHQVLJNPXGEJ-YUMHPJSZSA-N 497.389 5.589 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1OCC(=O)Nc1cccc(C)c1 850104 GSOYEJOYIPBJIB-NDEPHWFRSA-N 491.547 5.393 50 40 JKGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 1906175 ZLQYWNQSSGBJKB-GZTJUZNOSA-N 472.397 6.375 50 40 JKGB O=C(NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1cccc(C(F)(F)F)c1 2280977 ORUGEZLSHLYKQG-UHFFFAOYSA-N 450.424 5.373 50 40 JKGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2cccc(Br)c2)cc1 2771566 TVIUXZKVXDXINU-JFLMPSFJSA-N 489.373 5.139 50 40 JKGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CSc2cc(C)nc3ccccc23)cc1 6245720 DXXINZFABLIGHS-OCSSWDANSA-N 491.620 5.947 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCc1ccc(Cl)cc1 8812095 QRIGPMPUSFWVBQ-RPPGKUMJSA-N 491.744 5.593 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccccc1Cl 8984798 IRRRGELRTBFTFX-XMHGGMMESA-N 466.921 5.013 50 40 JKGB CCn1c2ccccc2c2cc(/C=C(\C#N)c3nnc(N4CCOCC4)n3-c3ccccc3)ccc21 9090366 YBRNYRJPTTYEJI-RELWKKBWSA-N 474.568 5.296 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1 9204216 KFQRDXAQXMRIJD-LGJNPRDNSA-N 492.200 6.028 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@]12C(=O)N(Cc1cccc3ccccc13)c1ccccc12 9281664 OJRGZMJOCCUGLB-WJOKGBTCSA-N 495.542 5.149 50 40 JKGB O=C(CNc1ccc2ccccc2c1)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21 9519995 RTHWRARSYOWYEG-VBMGMRCRSA-N 484.559 5.472 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1cccc2ccccc12 9972316 XNKWJSMNBBDAOC-FDAWAROLSA-N 481.552 5.328 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1)c1ccc2ccccc2c1 12464874 XEYBIXPMJQJDOT-COEJQBHMSA-N 460.537 5.963 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@@H]1[C@H](c2cccs2)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]12 12524625 KELPOQQQEFEIOE-LQBCTSRJSA-N 473.601 6.369 50 40 JKGB COc1ccc(C(=O)Nc2cccc(/C(C)=N/NC(=O)c3c(-c4ccccc4)noc3C)c2)cc1 20294674 SATJVDXYGNDTPX-STBIYBPSSA-N 468.513 5.065 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1Cl 20922247 OBBQKJSDJMQDPS-SFQUDFHCSA-N 496.350 5.565 50 40 JKGB CCCC/C(=N/NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)c1ccc(F)cc1 22753066 ORUTZARFTLNDSE-TZHWMEPESA-N 494.397 7.672 50 40 JKGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1C 58927357 FOXNMOYDUQWIEC-HNSNBQBZSA-N 490.651 6.033 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 59334628 LXZXSYJLVQOBDE-CHHVJCJISA-N 453.753 5.620 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccccc1OCc1ccc(Br)cc1 59417826 ZNIZOODWHWDZEI-OGLMXYFKSA-N 473.370 5.874 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1ccc(Cl)cc1 59445020 ACVKNTPZCOMBDV-BRJLIKDPSA-N 461.718 5.585 50 40 JKGB CCOC(=O)c1c(NC(=O)[C@@H](Br)CC)sc2c1CC[C@H](c1ccccc1)C2 74941537 XUFBZUQBAGXDBC-HOCLYGCPSA-N 450.398 5.309 50 40 JKGB Cc1cc2c(cc1/C=N\NC(=O)COc1ccc(Cl)cc1Cl)[C@@H](C)CC(C)(C)N2C(C)C 223595528 CLWQYJFWUVXVCI-SMGOABHVSA-N 476.448 6.332 50 40 JKGB C#CCOc1c(I)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OCC 408580039 MRDZYTNYYMQTAS-RIYZIHGNSA-N 498.147 6.073 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OC(=O)c1cccc(C)c1 408718682 VHKUYQCWBBCMOD-YSMPRRRNSA-N 481.346 5.139 50 40 JKGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 408725445 PCFLNBVGEQIXJF-ZCTHSVRISA-N 486.531 5.699 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1 408742064 MSQSYQPJNUGSIQ-WQRHYEAKSA-N 497.776 6.236 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccccc1Br 408753069 HNAQUPWUSKRJHR-CJLVFECKSA-N 483.365 6.727 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1c(C)ccc2ccccc12 408814386 ZDDNAYAMYKJQIY-JJIBRWJFSA-N 492.575 6.680 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408817059 UZZRVEDLQHGZIT-JLPGSUDCSA-N 483.524 5.134 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1 408854334 CQABDUZQOKUYOP-GZTJUZNOSA-N 496.292 5.621 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(Br)c2)c1 408877011 SBFLYCOGGTVBNB-UDWIEESQSA-N 465.778 6.547 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408897279 RFBIFJZDNFGTOU-GZTJUZNOSA-N 468.296 6.026 50 40 JKGB Cc1ccc(Sc2oc(/C=C(/C#N)c3cccc(C(F)(F)F)c3)cc2Br)cc1 408912506 HRCMSSZTRAIQDE-GDNBJRDFSA-N 464.306 7.585 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc2ccccc2c1 408982430 GYIVJOWPLKRJKB-YUMHPJSZSA-N 493.006 7.655 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OS(=O)(=O)c1ccccc1 409069031 UHZBFGBMDWZUKO-SFQUDFHCSA-N 479.945 5.447 50 40 JKGB CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br 409230200 CJQFKNGWWLGSLI-GRRFOWRYSA-N 467.285 6.191 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1OCC 409318949 ZAIXMIQSYQMLMU-MBTHVWNTSA-N 496.947 5.179 50 40 JKGB Cc1ccc(Cn2cc(/C=N/NC(=O)CNc3ccc(Br)cc3)c3ccccc32)cc1 409345973 LZSICFKWRUIYQU-CCVNUDIWSA-N 475.390 5.323 50 40 JKGB C[C@@H](Br)C(=O)[C@@](CCN(C)C)(c1ccccc1)c1ccc(Br)s1 1594087 NEOBPZJCEAMOKD-ACJLOTCBSA-N 459.247 5.101 50 40 JKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)(F)[C@@H](F)Cl)n2)c(C)c1 2318110 XWWDLKYKGXBJQZ-RKZJEGACSA-N 463.912 6.910 50 40 JKGB CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)o2)sc2c1CCCC2 2343969 LODORADAYMJWTH-KNTRCKAVSA-N 474.582 6.389 50 40 JKGB CCc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc1 3588786 PFSNZCSAHYQVMP-OQLLNIDSSA-N 455.171 5.112 50 40 JKGB CCOC(=O)N/N=C/c1cn(CCOc2ccc(C(C)(C)c3ccccc3)cc2)c2ccccc12 4091890 WUVMJTGVSVYYPJ-TWKHWXDSSA-N 469.585 6.126 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccc(F)cc3)Nc3c(Cl)cccc3[C@@H]2[C@@H]1Cl 8426171 KBFKAEYOXGRGEG-YMNDLRCVSA-N 489.399 7.426 50 40 JKGB O=C(N/N=C1/SCC(=O)N1c1ccccc1)c1nc(-c2ccccc2)sc1-c1ccccc1 8775329 IZXGDYVDVIZEQB-AZPGRJICSA-N 470.579 5.258 50 40 JKGB CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)NCc1ccccc1)=C(C#N)[C@H]2c1ccc(Cl)cc1 9076420 KWZWTFVBHMPFJZ-XMMPIXPASA-N 492.044 5.455 50 40 JKGB COc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 9346340 XMHQDTLUGVZDET-CHTIKVTKSA-N 483.593 5.377 50 40 JKGB COc1cccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)c1 9358498 FLCDFQAUGHCURA-WPWMEQJKSA-N 498.052 5.745 50 40 JKGB O=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1cc(-c2ccncc2)nc2ccccc12 12564065 QYDMSFAGFDXTRW-UHFFFAOYSA-N 456.549 5.868 50 40 JKGB N#C/C(=C/Nc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Br)cc2)cs1 13765387 IQJRAAAMXCVLPC-XFXZXTDPSA-N 451.176 6.856 50 40 JKGB CO[C@H](C(=O)N/N=C/c1c(Br)c(C)n(-c2ccccc2C)c1C)c1ccccc1 20243802 KPCIHRZMPGOQKI-PWYGXMRTSA-N 454.368 5.003 50 40 JKGB C/C(=N\NC(=O)c1ccoc1C)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1 20352681 XSKXOQBMPNTEPZ-VSWHYLHOSA-N 453.926 5.110 50 40 JKGB C/C(=N/NC(=O)c1ccc(N(C)C)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 22705335 ZDSUASSKZPGURW-MBTHVWNTSA-N 469.372 5.466 50 40 JKGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 32519935 FNFVMUNOQXDINX-DHRITJCHSA-N 450.951 5.038 50 40 JKGB Cc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 58916768 PYYRNDSIZHAFDT-RPPGKUMJSA-N 460.430 6.093 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1 59304289 OFHXMXXEUXPTPX-DHRITJCHSA-N 450.336 5.675 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(SCc3cccc4ccccc34)N=C3CCCC(O)=C32)ccc1O 104085495 JAHGLUHPNYNLAR-AREMUKBSSA-N 468.578 6.757 50 40 JKGB COc1cc([C@H]2C(C#N)=C(SCc3cccc4ccccc34)N=C3CCCC(O)=C32)ccc1O 104085501 JAHGLUHPNYNLAR-SANMLTNESA-N 468.578 6.757 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C#N)c1C 107829149 JYBVOHIOTKHRPM-VCHYOVAHSA-N 492.641 6.124 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)cc1 408789351 PCPVSNJGGHCZRX-WGOQTCKBSA-N 462.549 6.535 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 408791827 DBSGPIMPRVXDDN-VCHYOVAHSA-N 455.316 6.566 50 40 JKGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OCC 408795544 MPEVJYUZMJZGFQ-CXUHLZMHSA-N 475.770 5.920 50 40 JKGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3OC)cc2)c1 408798523 FWYABGJUAWJJHF-XSFVSMFZSA-N 458.514 5.146 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc2ccccc2c1 408831363 ZLTOTOOWZQQRNT-XKZIYDEJSA-N 486.930 6.766 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccccc1C#N 408850438 NSAIHMRGPDHCPH-LQNQUEJISA-N 465.509 5.384 50 40 JKGB Cc1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)o1 408852061 HNBIRBRMOMVINA-MYKKPKGFSA-N 457.711 6.181 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc3c(cc2Cl)OCO3)cc1 408852397 KGUQBTXNIVOVFI-MBTHVWNTSA-N 457.917 5.599 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 408870304 SMWQSBIJSTVORE-LDADJPATSA-N 456.851 6.483 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1cc(Cl)cc(Cl)c1 408870683 WKNKZZPIVPHANU-IPBVOBEMSA-N 497.304 5.509 50 40 JKGB C=CCc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(OCC)c1OCC 408904288 HMQVHMSDUXLMFP-OYKKKHCWSA-N 460.372 5.439 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Br)cc1 408961652 CYSSVHAFURTBCM-ZRGSRPPYSA-N 464.285 5.639 50 40 JKGB Cc1cc(/C=N\NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)n1-c1sc2c(c1C#N)CCCC2 408995464 AIGMITUJFIOBGW-ZMFRSBBQSA-N 493.614 5.057 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)c(Cl)c1 409123303 FYVQKSYNGTWELB-XMMPIXPASA-N 498.410 5.701 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OC)c1OCc1ccccc1 409220619 CIKJFJFDIGPSBQ-DIBXZPPDSA-N 466.581 5.659 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409254025 CVXDDWDKZUCFKJ-JCMHNJIXSA-N 499.567 5.274 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc(Cl)c1OC 409313844 RBEXZWPIQVJCGY-DICXZTSXSA-N 468.937 5.099 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccc(C)cc2)cc1 935049 BKRQFMLNSMUTDP-NLTRVXJZSA-N 488.012 6.022 50 40 JKGB N#Cc1cc(-c2ccc(Cl)cc2)[nH]c1SSc1[nH]c(-c2ccc(Cl)cc2)cc1C#N 2217635 VQPOCZRTORLDDS-UHFFFAOYSA-N 467.406 7.526 50 40 JKGB Cc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c1 2321462 CVNWBEGEYQBJDH-MZJWZYIUSA-N 496.423 5.792 50 40 JKGB O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1cccnc1 3217514 COYTYZOIZWFZIL-AJBULDERSA-N 487.519 5.878 50 40 JKGB Cc1c(Cl)cccc1N/C(SCC(=O)N1CCCCCC1)=C(/C#N)c1nc2ccccc2s1 3223105 WYRANNNISHRCLQ-HKOYGPOVSA-N 497.089 6.698 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OCc1ccccc1Cl 3231334 INEZGOWHSDOSML-LPYMAVHISA-N 460.961 6.399 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 9065078 KPEKEHNQPMBTEL-HSZRJFAPSA-N 465.018 6.347 50 40 JKGB COc1cccc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)c1OCC(=O)Nc1ccc(F)cc1 9263476 OHGZYKJKZYWMIG-QGOAFFKASA-N 456.477 5.101 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Cl)c1OCc1ccccc1F 9296171 SIKFKHXUTXZCPG-HSZRJFAPSA-N 466.896 5.381 50 40 JKGB Cc1ccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)s1 12467796 AHWBPLVWHKHHPC-UWVJOHFNSA-N 455.055 5.096 50 40 JKGB Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NNc3cccc(C(F)(F)F)c3)c2)cc1C 12536129 CPWYJIXAXXLHGM-UHFFFAOYSA-N 497.926 5.533 50 40 JKGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1Cl 15223269 WBCTZHAYMLJKJE-GHXNOFRVSA-N 461.688 6.151 50 40 JKGB CCCOc1cccc(/C(C)=N\NC(=O)c2cc(-c3ccc(CC)cc3)nc3c(Cl)cccc23)c1 22743509 YGHWORZGYMZVGF-MZFJOGFUSA-N 486.015 7.060 50 40 JKGB CC1(C)CC[C@]2(C(=O)NN)CC[C@@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)[C@@H](O)C[C@]43C)[C@@H]2C1 33707983 APYOKISKLZLBOK-QFRAMATMSA-N 486.741 5.110 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1O 34705620 MLZPZEFWWQTXJU-GZTJUZNOSA-N 494.301 5.188 50 40 JKGB CCOc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)ccc1OCc1ccccc1C 41120614 WFHRXQLZMZEPRK-KGENOOAVSA-N 469.566 6.778 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1C 59249956 JXTWQSNLUGMAKI-GDNBJRDFSA-N 487.806 7.009 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc2c(c1)OCO2 59335415 UXXSPFCWVUPFQF-MTJSOVHGSA-N 456.498 5.247 50 40 JKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(OCCCCCCC)cc2)cc1 98001259 OSEQTOAROGXIKO-HMZBKAONSA-N 494.720 8.319 50 40 JKGB Cc1cc2c(cc1/C=N\NC(=O)c1cc3cc(Br)ccc3o1)[C@@H](C)CC(C)(C)N2C 208228314 SSEUKCSVYMESCA-HDFLIFARSA-N 468.395 5.990 50 40 JKGB COc1cc(C(=O)Cl)cc(I)c1OCc1ccc(Cl)c(Cl)c1 226327482 QASNDEBKJWQUND-UHFFFAOYSA-N 471.505 5.565 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c(C#N)c1C 408546411 IZHZVANZWITMAN-RQZCQDPDSA-N 489.509 5.300 50 40 JKGB COc1cc(/C=N/NC(=O)CSCc2ccccc2)ccc1OCc1ccc(Br)cc1 408720158 UXJPHJWWTNBCTL-VULFUBBASA-N 499.430 5.420 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1)C(=O)Nc1ccccc1 408741827 LJBOVGXDIBKSAD-IUXPMGMMSA-N 467.308 5.847 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1cccc2ccccc12 408744533 FVDQEUSDAMAZEW-ULJHMMPZSA-N 478.548 6.372 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1cccc(Cl)c1Cl 408757833 CWIBRSZKDMKKPR-LFIBNONCSA-N 482.279 5.666 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 408764694 VDPSGLKNZTUSIE-UVHMKAGCSA-N 486.355 5.092 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)cc1C 408812571 SRXACVHYGPODCO-UDWIEESQSA-N 495.804 6.844 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)C(=O)Nc1ccc(Cl)cc1 408892688 DNNNGUMVBGBQEK-LICLKQGHSA-N 457.744 6.771 50 40 JKGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(OCc2ccccc2)cc1 408978609 JJJHVSBYICPCEE-GRDXZWITSA-N 477.564 5.277 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccccc2F)c1)c1cc(-c2ccccc2)nc2ccccc12 409045989 QSLLVZGAZIHFIA-BIZUNTBRSA-N 475.523 6.384 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)c1 409057525 PPDNOGVWTMCDAG-FYJGNVAPSA-N 473.960 5.828 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)c1OCc1ccc(C(=O)O)cc1 409183680 FODCQTSSQZTNEJ-NDENLUEZSA-N 476.916 5.480 50 40 JKGB COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)o1 409192321 WJVDIRRTHSMUPF-MUXKCCDJSA-N 472.884 6.050 50 40 JKGB CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2ccc(Cl)cc2)cc1 409227420 YLKHNLJZXCQPHC-OOUOGCBKSA-N 496.350 5.335 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1cccc(Br)c1 409234627 OEMJZBVBIAJPJH-JCMHNJIXSA-N 462.391 5.513 50 40 JKGB Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccccc3)cc2Cl)c1C 409262974 GLDJUQPHZVDYKM-WKIKZPBSSA-N 470.356 5.392 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(Cl)c2)cc1OC 409322613 KARXGDHPIOBPPX-MBTHVWNTSA-N 468.912 5.395 50 40 JKGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)o2)ccc1Cl 409391721 KXRNGQSMCJDSLV-UXHLAJHPSA-N 486.955 6.059 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 409394302 YHZQZPDQLUGSFC-IWIPYMOSSA-N 456.948 7.530 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)(F)[C@@H](F)Cl)n2)cc1OC 1296570 WFOKUJZDEADHCB-QGFLDLQWSA-N 495.910 6.310 50 40 JKGB N#C/C(=C\c1ccccc1)C(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3Cl)coc2c1 1777147 MYSYAJSZFXFVBV-MHWRWJLKSA-N 462.288 6.279 50 40 JKGB COc1ccc(/C=N/NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1COc1cccc(Cl)c1 2110581 OUVJRNSNPQPOQN-RWPZCVJISA-N 487.383 5.889 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)sc(C)c1C 2392045 WPAXPHYUQMSXMH-MOSHPQCFSA-N 465.644 6.840 50 40 JKGB Cc1ccccc1C[C@@H](C(=O)N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccccc1 8861188 UFSKKMFCSQZXMD-BZNSLHSRSA-N 498.626 7.204 50 40 JKGB COc1ccc(/C=N/NC(=O)CCCCCCCCCCC(=O)N/N=C/c2ccc(OC)cc2)cc1 9109179 OJPYHFULCJAXCS-VFIVCBTMSA-N 494.636 5.205 50 40 JKGB Cc1ccc(SCc2[nH]nc3c2[C@H](c2cc4ccccc4nc2Cl)C(C#N)=C(N)O3)cc1 9272048 VZCZUDFGANMJRJ-HXUWFJFHSA-N 459.962 5.430 50 40 JKGB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1 13081328 KDMKRGNPPQZPHG-SANMLTNESA-N 498.608 5.603 50 40 JKGB N#CC1=C(O)O[C@](O)(c2ccccc2)[C@H]([n+]2cccc3ccccc32)[C@H]1c1ccc(Cl)c(Cl)c1 16034552 QAXHYFWAAMTCNE-ZWEKWIFMSA-O 490.366 5.928 50 40 JKGB Cc1c(/C=C(/C#N)c2nc3ccccc3[nH]2)c2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 16050868 FEFNMGHVTLWYKO-PDGQHHTCSA-N 475.508 5.258 50 40 JKGB COc1ccc(N2C(S)=C(C#N)C(=N)N[C@H]2c2ccc(-c3ccc(Br)cc3)o2)cc1 16739436 PMNCZWLCWYYEKE-OAQYLSRUSA-N 481.375 5.468 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(COc3ccc(Br)cc3)cc2)c1 18192491 MXZCOTOVUCQGLW-XSFVSMFZSA-N 477.358 5.972 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@H](C)Sc3ccccc3)c2C)cc1 20243735 LBVKNCNEXNNIFQ-MJDKSPQASA-N 470.436 5.796 50 40 JKGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1 33736798 TVWZYHAPDCHAFI-XODNFHPESA-N 479.367 5.719 50 40 JKGB Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4o3)c2C)ccc1I 59305348 DEYASZMZZNJCOA-DHRITJCHSA-N 497.336 5.517 50 40 JKGB COCc1cc(C)nc2sc(C(=O)N/N=C/c3cc(Cl)cc(Cl)c3O)c(-n3cccc3)c12 96335740 DNJPHPAUHJPNDF-KIBLKLHPSA-N 489.384 5.318 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccn2)ccc1OCC(=O)N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 102990450 KKYLSUGHMCHASF-JSJTVVSRSA-N 459.590 5.350 50 40 JKGB Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4C[C@H](Br)[C@H](Br)C[C@H]4C3=O)cc2)c1 103121070 OYPVHBMYKLKSNL-MKXGPGLRSA-N 493.195 5.214 50 40 JKGB Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)c2C)ccc1Br 107700829 GUFFZNLZZDJXEV-ODLFYWEKSA-N 478.346 5.409 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1O[C@@H](C)CC 108928332 LMWYQKXBNXKXIC-ZGUVFNMESA-N 475.954 5.803 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OC 408540360 QSQWMOBDDKFBAK-MWLSYYOVSA-N 484.946 6.871 50 40 JKGB Cc1cc2nc(/C(C#N)=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)[nH]c2cc1C 408543768 QBTJFUHRXOVEDG-ODLFYWEKSA-N 476.349 6.725 50 40 JKGB Cc1cc2nc(/C(C#N)=C\c3c(C)n(Cc4ccccc4Cl)c4ccccc34)[nH]c2cc1C 408544615 VXFDELDOVZJZMX-STZFKDTASA-N 450.973 7.209 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(I)c1O 408578883 BLEVSBQPLKGJMY-VZUCSPMQSA-N 460.098 5.766 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(OCC)c1OCc1ccc(Cl)cc1 408581470 XCOXWGAXXBGJCK-FYJGNVAPSA-N 498.837 8.417 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Cl)c1OCc1cccc2ccccc12 408581533 ITGOFUFFKOMNTC-BUVRLJJBSA-N 469.968 7.544 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1ccccc1-n1cccc1 408748312 BRGOVJPWUOJRML-WPWMEQJKSA-N 474.358 5.583 50 40 JKGB O=C(N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)c1ccccc1[N+](=O)[O-] 408762350 KGKJCAHYRGWKBZ-UXHLAJHPSA-N 489.487 5.884 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccccc1 408766463 QZQPWTSUEXQWGF-UNOMPAQXSA-N 463.331 5.582 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(C)cc1 408786882 XBAXPLOJZQYFFI-GRSHGNNSSA-N 457.368 5.167 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(OC)c1OCc1ccccc1C#N 408791240 VEVVDLFPBDOOGR-WGOQTCKBSA-N 477.564 5.982 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1ccc(Cl)c(Cl)c1 408802364 DNWIXAHSFLCDEQ-LNUOPCRJSA-N 487.427 6.573 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(Cl)c1 408804593 AZAXYSJPUWSVOM-SRZZPIQSSA-N 495.406 7.134 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cccc(Oc3ccccc3)c2)cc1 408851272 AUJFCUBLXYZVHL-JDCMOKTRSA-N 471.560 7.009 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2F)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408866614 IJGSOQRYMODJBN-VCHYOVAHSA-N 480.293 5.633 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OC(=O)c1cccc(F)c1 408888648 YHIHKLBGUQLGPH-GZTJUZNOSA-N 495.304 5.362 50 40 JKGB CCN(CC)c1ccc(/C=N\NC(=O)c2sc3c(Cl)c(OC)ccc3c2Cl)cc1 408970602 JBWMKDIOAVVVAB-MSXFZWOLSA-N 450.391 5.827 50 40 JKGB O=C(N/N=C/c1cc(Br)c(Sc2ccccc2)o1)c1ccccc1Br 408995405 CIPOXCQXDOWHNS-SRZZPIQSSA-N 480.181 5.720 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1ccc(F)cc1 409072016 AFMUJVJPWVYUHB-HZHRSRAPSA-N 458.489 6.504 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(C)cc1 409075246 QCZDAIWBISEPJM-NLRVBDNBSA-N 496.607 6.646 50 40 JKGB O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1 409170187 STUCSKTXVTWKGX-DHRITJCHSA-N 461.301 5.261 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 409231972 MEAJEDJWODIFSC-PDGQHHTCSA-N 479.889 6.907 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 409234718 XPYIRRWJHSVWML-YVLHZVERSA-N 454.408 5.567 50 40 JKGB N#C/C(=C\Nc1ccccc1I)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 2282461 CLWOWALFXAHSFP-JLHYYAGUSA-N 474.283 5.299 50 40 JKGB CCOc1ccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 2324246 AJEHYZXVKPZJPZ-AFUMVMLFSA-N 494.667 5.625 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1N/C=C(/C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 8387222 SREAWDIVKOOQCS-LGMDPLHJSA-N 480.505 6.263 50 40 JKGB N#C/C(=C\c1ccc(Cl)cc1Cl)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 8453818 DNSUMJZSQSIRNT-CXUHLZMHSA-N 475.356 7.441 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSC3c4ccccc4-c4ccccc43)o2)cc1 8861659 IWDTUIFHNCRJSF-OCSSWDANSA-N 496.588 6.077 50 40 JKGB CN(C)c1ccc(/C=C(\NC(=O)c2cccc(F)c2)C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1 9908329 MCTUPOIJJLFCCJ-QOOUENJXSA-N 499.373 5.120 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 9972927 HFNHTXCBZFNKTI-BKUYFWCQSA-N 485.496 5.162 50 40 JKGB Cc1cc(C)c(OCC(=O)N/N=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)c(Br)c1 20103174 SVPNAVZQNQNALI-MRUKODCESA-N 496.188 6.162 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1cccc(F)c1 33432161 ILHYPAXCYYGPJZ-MUFRIFMGSA-N 458.489 5.339 50 40 JKGB CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Br)cc4)ccc32)cc1 38682110 UWXAIJIWMJKDDP-JOCHJYFZSA-N 493.382 5.608 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1cccs1 58979965 VRIQLMSLGOFIMG-LQKURTRISA-N 489.984 5.997 50 40 JKGB Cc1c(Cl)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 59333115 AATAQDYESZLIOE-QJOMJCCJSA-N 458.993 5.312 50 40 JKGB CCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)F 103528617 LOZYFCHXSYDQKJ-LJQANCHMSA-N 462.422 9.004 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(OCC)c1OCC 108160668 ZPTGRZLEGIVROA-ZVHZXABRSA-N 453.520 5.099 50 40 JKGB C[Si](C)(C)OC(=O)CC[P@](=O)(CC=C(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C 195811915 SXUOSBWKNXKNHG-RUZDIDTESA-N 498.854 6.429 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C3CCCCC3)cc2)c1C 408735636 VKWQKAVRMOHQKO-KOEQRZSOSA-N 472.032 7.649 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1I 408791918 FHOIDOUMPOPJQD-GZTJUZNOSA-N 458.299 5.019 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 408793475 FMLUMGNCXMVSRB-KGENOOAVSA-N 474.488 5.136 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(OCc2ccc([N+](=O)[O-])cc2)c1 408805131 IPDDLGMMHAXDHN-FYJGNVAPSA-N 457.486 5.345 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 408815155 RSOMVTWSEXIARI-ODLFYWEKSA-N 454.357 5.633 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccccc1F 408817725 MAHBQYCWPIXZRY-ROTLSHHCSA-N 454.299 5.506 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)c(OC)c1 408865489 AWTZJIJHJLJZNE-SSDVNMTOSA-N 487.943 5.031 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(OC)c1 408867501 ITALCGYVPAHMJU-FYJGNVAPSA-N 457.486 5.290 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3ccccc3Cl)c(OC)c2)cc1 408873092 MUCFKUDWYQXWBF-YBFXNURJSA-N 495.362 5.925 50 40 JKGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1)c1ccc(Cl)c(Cl)c1 408881760 MOPBTQIKTSIPSJ-KBKYJPHKSA-N 468.167 6.643 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408893202 GARUOAPBTUGVKO-LICLKQGHSA-N 468.296 6.026 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)c(C)c1 409046773 LXQQCKDFFPWTDL-VXLYETTFSA-N 485.798 7.388 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Br 409048327 SMSPWZZVXWGBKP-NTEUORMPSA-N 464.157 5.546 50 40 JKGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)cc1 409376740 AQFJSBUJCHYFTO-SFQUDFHCSA-N 496.350 5.565 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 1410490 KEAQAGUFMOBJRR-XKXRGWGFSA-N 473.548 5.014 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1ccc(C)cc1 1903605 WIHAFYASLSNVFP-WPWMEQJKSA-N 471.586 5.308 50 40 JKGB Cc1ccccc1[C@H]1C(/C=N/NC(=O)c2ccccc2O)=C(c2ccccc2)Oc2ccccc21 2266940 FSKYTIOFWUAUNX-RYBVODPGSA-N 460.533 6.052 50 40 JKGB Cc1ccc([C@@H](Br)[C@@H](Br)C(=O)c2ccccc2OCc2ccccc2)cc1 2564986 NQMMFKFBNQKYOM-FGZHOGPDSA-N 488.219 6.656 50 40 JKGB N#C/C(=C\c1cc([N+](=O)[O-])c(N2CCCCC2)cc1N1CCCCC1)c1nc2ccccc2[nH]1 6446902 LXDVBVJYZBELPX-HMMYKYKNSA-N 456.550 5.516 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OCc1ccccc1Cl 8590682 DPVKIRJHWIXGEC-LICLKQGHSA-N 450.325 6.521 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 8812764 LSRUXABXOUWCDP-OPEKNORGSA-N 495.204 5.936 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(OCC)cc3)cs2)sc2c1CCCC2 9075433 TVHGVFYWXBXENL-VKAVYKQESA-N 479.627 6.302 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccccn3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 9762487 KXAWPKQXLIAGSD-RHANQZHGSA-N 484.629 5.178 50 40 JKGB Cc1ccc(NCC(=O)N/N=C/c2cc(/N=N/c3cccc(Br)c3)ccc2O)cc1 9934806 LFWAOTREVHNEQA-ZGQMNJRFSA-N 466.339 5.441 50 40 JKGB CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cccc(Oc3ccccc3)c2)c1C 12542883 FUBMNBANOJYCBN-PXLXIMEGSA-N 457.530 5.396 50 40 JKGB C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1cccs1 13685527 XSYRGCRCYVNTJB-MYYYXRDXSA-N 455.008 5.432 50 40 JKGB Cc1ccc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3ccccc3)c2C)cc1 20243625 DWOHYLOSRKPLST-DHRITJCHSA-N 470.436 5.549 50 40 JKGB CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)cc1 26687709 YQZFDQRYQYMMDT-DAFNUICNSA-N 496.655 6.854 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccccc2)cc1OCc1ccccc1)c1ccc(Cl)cc1 32119732 PTGQUZIABRLUCK-YKQZZPSBSA-N 470.956 6.262 50 40 JKGB Cc1ccc(Sc2ccc(/C=N/NC(=O)c3cc(Br)ccc3O)cc2[N+](=O)[O-])cc1 32125020 OXOYKVYEWMJULY-FSJBWODESA-N 486.347 5.286 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 58840236 DKHMGQZZKJAZQK-DHRITJCHSA-N 451.935 5.303 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 59117520 VCMCZTMFJBTBSK-UDWIEESQSA-N 481.379 6.825 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1OCC#N 59336553 SRRWDKXQNRVCQI-ATVHPVEESA-N 456.329 5.569 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OCc1cccc2ccccc12 59425711 QPTUOKIDHHIKIT-LQKURTRISA-N 489.369 5.954 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C2=C(O)CCCC2=N1 102861987 KEDAKDKVACIVBM-NRFANRHFSA-N 453.951 5.883 50 40 JKGB COc1cc(/C=C/C(=O)Cl)cc(I)c1OCc1cccc2ccccc12 226337794 QTLDOOMCFSKASR-MDZDMXLPSA-N 478.713 5.811 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 408579203 DQRKLTFACJFIHR-SRZZPIQSSA-N 495.406 7.091 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1)c1ccc(Cl)cc1 408580064 MVJQLDNNMMFYEM-SFQUDFHCSA-N 474.763 5.934 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)c1ccc(Br)cc1 408581285 VZIVGJAOSXKNRA-RQZCQDPDSA-N 493.615 8.052 50 40 JKGB CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1 408613242 YJKKZVAKVAMRLM-OGLMXYFKSA-N 479.964 5.187 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1cccc(F)c1 408744882 NVGAIRJKQFQXGF-UNOMPAQXSA-N 495.348 6.112 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)cc1 408791343 WEQIXQBYJHUESG-KEBDBYFISA-N 462.336 6.298 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1Cl 408792240 ABUUIYGDWNRPPK-CIAFOILYSA-N 495.406 7.134 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c(C)n1-c1ccc(I)cc1 408801424 SXNRLRWDJVDFRG-TZCXJDQJSA-N 487.385 5.301 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1c(Cl)cccc1Cl 408890327 RLGHLHHGYQLSDA-LGJNPRDNSA-N 488.327 5.643 50 40 JKGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC 408897504 XKGOGBKMQPLRHW-LSHDLFTRSA-N 458.139 5.093 50 40 JKGB O=C(Cn1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc21)Nc1ccc(Cl)cc1 408964266 QHMYPCAOKQUETP-VVEOGCPPSA-N 498.892 5.716 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccc(C)cc1 408987204 FAYAYHAQDXVVJN-OYKKKHCWSA-N 486.999 6.819 50 40 JKGB CN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C2=C1CCCC2=O 409148045 WZCSTVRZRNJABX-QFIPXVFZSA-N 454.357 5.302 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1cccc(C)c1 409234343 VRXUDHPYDWCPPT-ITYLOYPMSA-N 454.570 5.629 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)NCCCc1ccccc1 409237945 JMOVSQLYUREXPV-QRVIBDJDSA-N 490.390 6.100 50 40 JKGB CCOc1cc([C@@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1c(Cl)cccc1Cl 409373735 YOWMTWQJEJQRNW-NRFANRHFSA-N 490.456 6.314 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc4c(c3)OCO4)c2[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 664420 DIDFUKBBXLBNSO-HSZRJFAPSA-N 498.926 5.256 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cccc(Cl)c1 949286 FXDQPFVBZVMJCX-XYOKQWHBSA-N 451.231 6.818 50 40 JKGB Cc1cc(N(CCCl)CCCl)ccc1/C=N/c1ccc(-c2csc(-c3ccccc3)n2)cc1 1662402 HLSPIIWZPKTUBI-UXHLAJHPSA-N 494.491 7.820 50 40 JKGB CCn1c2ccccc2c2cc(/C=N/NC(=O)c3cccc(I)c3)ccc21 1880046 ROOLXXMICQXQPP-ZVHZXABRSA-N 467.310 5.183 50 40 JKGB COc1ccc(N2CSC3=C(C#N)[C@@H](c4c(OC)ccc5ccccc45)CC(=O)N3C2)c(OC)c1 2194629 IWYHVMRKCCLQFQ-FQEVSTJZSA-N 487.581 5.085 50 40 JKGB CSc1ccc(C(F)(F)F)cc1NC(=S)P(=O)(c1ccccc1)c1ccccc1 2561308 HMTKUILKGBTLQW-UHFFFAOYSA-N 451.475 6.138 50 40 JKGB COc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccccc3C)=C(C)N2)cc1 9109156 XXKGEWQTENSDBD-AREMUKBSSA-N 499.592 5.547 50 40 JKGB Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@@H](c3ccc(Br)cc3)CC(=O)N2C1 9693393 SNSTXOFMRFFKPK-MRXNPFEDSA-N 474.811 5.630 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1OCC(=O)c1ccccc1 13424414 KDQKUTJSLJRZKE-OEAKJJBVSA-N 480.589 6.761 50 40 JKGB CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 33990517 TXGZJQLMVSIZEI-SBTAANNESA-N 491.672 6.291 50 40 JKGB in-vivo N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 39884651 CKTKSMGXMLAWAQ-YRNVUSSQSA-N 452.124 7.106 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 59335656 RMQSJMMVFULFFO-KQWNVCNZSA-N 453.498 5.756 50 40 JKGB CCCCCCCC[C@H](O)[C@@H](/C=C/c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 98175065 GVWFYCIDXRIILO-MKNGSTNNSA-N 460.598 7.194 50 40 JKGB Cc1cccc(NC(=O)[C@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)c1 100701134 JLZHFDPKQJHPFY-ZLIFDBKOSA-N 494.065 5.619 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)c1nc(-c2ccccc2F)oc1NCc1ccccc1 102618493 DHKOEDRLRBTLSC-UHFFFAOYSA-N 468.468 5.732 50 40 JKGB FC(F)(F)C(F)(F)[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103528898 RGKZIPXARJRKOZ-REOHCLBHSA-N 491.988 5.846 50 40 JKGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc21 208242822 QBVBKSAWHBNWNO-MEFZMRIGSA-N 472.814 6.370 50 40 JKGB Cc1ccc(CC(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)c(C)c1 216038791 FLJSAVCACXTHGL-YSMPRRRNSA-N 451.364 5.338 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@H]2C 260562661 BCAURSOTGBJCBS-HDFIIFABSA-N 486.454 6.031 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OCC 408538135 JQWNSWNTLWXFQL-JWGURIENSA-N 469.025 7.332 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccccc1 408548171 DNLHZUFMIFMBNQ-QFEZKATASA-N 484.393 7.644 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)c2ccc3ccccc3c2)cc1Br 408549270 RUGYIUGIBXJHHA-VXLYETTFSA-N 469.176 6.994 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 408551387 KPNCOIJUTWJZEY-ZMFRSBBQSA-N 456.329 5.083 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OCc1ccccc1 408555253 WOYHBIJACSRGBG-DEDYPNTBSA-N 469.566 5.632 50 40 JKGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 408567329 LSJXUTYFCXLGSD-OGLMXYFKSA-N 479.418 6.018 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1nc2ccc(F)cc2[nH]1 408570431 UZDMWCZQVKSZDU-SXGWCWSVSA-N 493.292 6.016 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCc1cccc(Cl)c1 408580262 NRFKRUUUWMFYLQ-UDWIEESQSA-N 468.778 7.144 50 40 JKGB N#C/C(=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1)C(=O)Nc1ccc(Br)cc1 408758350 JEAYWOXGYXEOMP-LGMDPLHJSA-N 473.330 5.450 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1 408778365 FKKTVAGUQNVLAB-UNOMPAQXSA-N 482.367 6.123 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)cc1 408788028 AAKBOUMCXXRCLP-MFKUBSTISA-N 492.531 5.760 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1F 408796336 NUACPUBZHYDOGW-RGVLZGJSSA-N 464.924 6.229 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)c1 408838206 CUOGWSTYUSVPLP-MZJWZYIUSA-N 477.973 5.888 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(C)c1OCc1ccc(Br)cc1 408854296 BVEHSPXWVDJSFW-DEDYPNTBSA-N 495.804 6.844 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2c(C)ccc3ccccc23)c(Cl)c1 408865696 DLKJNJPYDJHLIY-LFVJCYFKSA-N 480.995 7.489 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1F 408985100 VFTQYHWMKWNBHM-ZDLGFXPLSA-N 485.342 6.574 50 40 JKGB O=C(O)c1cccc(COc2ccc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)cc2Cl)c1 409022676 OZYROQCUUJGMFP-PPDIBHTLSA-N 483.307 5.781 50 40 JKGB N#C/C(=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)c1nc2ccccc2o1 409088799 HBVJCPDGZFBTGW-GDNBJRDFSA-N 451.360 6.611 50 40 JKGB COc1cc(/C=N/NC(=O)CC(C)C)cc(Br)c1OCc1ccc(Cl)cc1Cl 409185228 UOQBZRITCFZOMO-YSURURNPSA-N 488.209 5.840 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1cc(C)ccc1C 409270472 PXQONGWPICGFJQ-MBTHVWNTSA-N 479.964 5.137 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1ccccc1C#N 409393163 PIHWFXYQPPUSNM-FBHDLOMBSA-N 477.333 6.502 50 40 JKGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(O)(c1ccccc1)c1ccccc1 3038318 IHNXLMCTQCCIMU-LQKURTRISA-N 465.336 5.640 50 40 JKGB CCCCCCOc1ccc(OCCOc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1 9659812 SUTADVCJYKSTBM-YYDJUVGSSA-N 484.596 6.649 50 40 JKGB CCOc1ccc(OCc2ccc(C(=O)N/N=C(\C)c3ccc(Cl)cc3Cl)cc2)cc1 12600796 ZWYIFLOOQBHYLJ-JVWAILMASA-N 457.357 6.125 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/C=C\c1ccco1 19849058 JPAPBIKFHUBPPL-HQEPOXFTSA-N 463.950 5.088 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3C#N)c(OCC)c2)cc1 20198011 LXFMTOUEKLCBMS-OCSSWDANSA-N 491.975 5.742 50 40 JKGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 28214554 PTSWXZKBFREOLB-FLOSOGMCSA-N 482.005 5.130 50 40 JKGB Cc1cc(C)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(C)c1 33718994 PILKZLIKFVFDPY-MWLSYYOVSA-N 455.558 5.955 50 40 JKGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/C=N/NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1 39353177 MSYDWDZIVIVAIC-LICXWXLHSA-N 486.660 5.393 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1 58871169 MAUCXQMIIYPSLW-AFUMVMLFSA-N 453.336 5.109 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc(OCc2ccccc2)cc1 58980279 FCUQWPNTPMNOHY-UXHLAJHPSA-N 470.956 6.262 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)cc1 59281718 SPCSEQZUKROIMB-HMMYKYKNSA-N 455.945 6.287 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 59297161 UNEHYONVOXCZAX-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1 59333343 CGJHFJJGJQKAIS-XLNRJJMWSA-N 492.406 5.828 50 40 JKGB CC(C)(C)c1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)cc1 59488264 BEJHFMJNUOBOBK-JVWAILMASA-N 478.390 5.763 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1ccc(C)cc1 108046460 PCQAQAQACJWHPL-ODLFYWEKSA-N 499.323 6.391 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC)c(OCC)c2)cc1 207152244 WIAVHYSDRWWYHB-WJDWOHSUSA-N 459.340 5.191 50 40 JKGB CCN1c2ccc(/C=N/NC(=O)c3cccc(I)c3)cc2C(C)=CC1(C)C 208505798 GWLKHTFRTFSBHV-ZVHZXABRSA-N 473.358 5.077 50 40 JKGB CCN1c2ccc(/C=N/NC(=O)c3cc4cc(Br)cc(OC)c4o3)cc2[C@@H](C)CC1(C)C 223530495 KIEYLIFTBMZBDX-FYDYWCEBSA-N 498.421 6.080 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc(N2CCCC2)cc1 408676169 GLDBBIBFIRIHDO-LQKURTRISA-N 468.384 5.937 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)cc1 408759690 JRXBFUIOFNXGRW-FOWTUZBSSA-N 455.297 5.976 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)cc1 408766075 OLBRXHQWWNPMCG-UNOMPAQXSA-N 478.346 5.189 50 40 JKGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c(C)n1-c1ccc(C(C)(C)C)cc1 408773451 RGIFMIJGYFBCEA-KAQWUREOSA-N 462.601 5.599 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 408800944 QFTJGMNWXHWUMK-SDLXJUDFSA-N 488.418 7.089 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OCc2ccc(C)c(C)c2)c1 408802382 DRLCIFJWGIEHAU-CIAFOILYSA-N 457.486 5.345 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(Cl)c(Cl)c1 408806600 AKGUCHXRNKSDHH-MOSHPQCFSA-N 481.354 6.986 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)ccc4ccccc34)c(Cl)c2)c(C)c1 408812721 TTYZVVVXVARFCH-BUVRLJJBSA-N 480.995 7.543 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1C 408816081 QXLQHKICZISBJB-BUVRLJJBSA-N 480.995 7.543 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(OCc2ccccc2Cl)c1 408900889 YQZWGKJOWWHQOX-YBFXNURJSA-N 467.352 6.435 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1sc2c(c1C#N)CCCC2 408948806 GYISFLMIKZNHIQ-HMAPJEAMSA-N 493.636 5.653 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccccc1Cl)C(=O)NCCc1c[nH]c2ccccc12 408948866 HENGDSNPMLLUQN-JCMHNJIXSA-N 455.945 5.666 50 40 JKGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1 409123288 BRBBELZTHKLGFB-VUTHCHCSSA-N 454.595 6.360 50 40 JKGB Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2Br)cc1 409133130 OUGYTPXVLYWMAS-JOCHJYFZSA-N 465.347 5.151 50 40 JKGB COc1cccc(/C=C(/C#N)c2cccc(Br)c2)c1OCc1ccc(C(=O)O)cc1 409189104 IOOMHOPVTHKUGA-NDENLUEZSA-N 464.315 5.799 50 40 JKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)C(=O)Nc1cccc(C(F)(F)F)c1 409233157 RECDRGCJWUCTAS-RAXLEYEMSA-N 464.921 7.117 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409362999 IDOIJNYRHJWYAE-IUXPMGMMSA-N 479.190 7.952 50 40 JKGB COc1cc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1c(Cl)cccc1Cl 409369793 XYZYPFLRIZYBCP-FQEVSTJZSA-N 460.361 5.759 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc(Br)cc1 409390677 GOSJPOUSFMQDFH-NVMNQCDNSA-N 472.741 6.893 50 40 JKGB COc1ccc2c(Cl)c(C(=O)NNC(=O)c3sc4ccccc4c3Cl)sc2c1 674896 SRFRFFROZURLEV-UHFFFAOYSA-N 451.356 5.506 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)cc(OC)c1OC 1059775 SPTILCQYJDCLGO-JOCHJYFZSA-N 499.489 5.036 50 40 JKGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccccc1F 2342884 SDNQJJUKMRHDPX-WYMPLXKRSA-N 468.604 5.365 50 40 JKGB CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1OC 2347129 QLTMYWGVFGDGGG-NBVRZTHBSA-N 482.602 5.537 50 40 JKGB CC(C)(C)[C@@H]1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 8783227 DCDCHBSBVCLMAN-KZCHATAMSA-N 465.424 7.595 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 9057350 KWLUJNWBXWYZMG-LDADJPATSA-N 461.861 5.322 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)c(I)o1 9136905 LYPQGZSRUKOQER-WEVVVXLNSA-N 491.510 5.154 50 40 JKGB C/C(=N\NC(=O)c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc([N+](=O)[O-])cc1 9667259 ZXJBCYIHXLSMJJ-BUVRLJJBSA-N 468.307 5.090 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccccc1[N+](=O)[O-] 12197173 DAJCBTAYHVLCFV-FMIVXFBMSA-N 461.783 6.073 50 40 JKGB C[C@@H]1CCCC/C1=N\NC(=O)CNc1c(Br)cc(Br)cc1Br 15134416 FTAQWWPURJUZRF-FLNUOUKISA-N 496.041 5.068 50 40 JKGB COc1ccc(C(=O)Nc2ccc(/C(C)=N/NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)cc1OC 20158074 QDKBYEQXZRKCFD-FDAWAROLSA-N 489.616 5.403 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1 20197386 BOODXGMMERMIAE-AJBULDERSA-N 482.580 6.370 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc2ccccc2c1)C(=O)Nc1cccc(Cl)c1Cl 59336582 ARUALXNFODCYJX-JCMHNJIXSA-N 473.359 7.271 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)c1ccc(O)cc1O 100062970 PZFITMAEVICDJP-VYYCAZPPSA-N 476.330 5.230 50 40 JKGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 107907266 FUIUUOUGSWUYTQ-ZRGSRPPYSA-N 492.746 5.827 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC 209646962 INMRFHKQMXEIOV-DHDCSXOGSA-N 461.743 5.530 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)c(Cl)c3)c2C)cc1Br 408585134 AZXRUBGRTPPHNX-NVMNQCDNSA-N 460.202 7.536 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 408598602 FLEUBUPHAQQNLQ-ZCTHSVRISA-N 488.547 6.586 50 40 JKGB Cc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 408598680 IGZYDEIEQUINLD-PCLIKHOPSA-N 491.576 7.202 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 408752083 FUEBFBFYHHIEBE-LGJNPRDNSA-N 457.313 5.294 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1)Nc1cccc(Cl)c1 408761303 DHZVOYRVOKHRCK-LQKURTRISA-N 457.917 5.275 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408792945 CFZGPBXTNFONFI-LICLKQGHSA-N 468.296 6.026 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(OCc2ccc(Cl)c(Cl)c2)c1 408803546 QIIHHUPFDWGWKV-XDHOZWIPSA-N 467.352 6.435 50 40 JKGB Cc1ccc(Sc2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)o2)cc1 408856046 IOQFHTFXPCQNLC-FMCGGJTJSA-N 455.333 6.012 50 40 JKGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 408862523 ZSQUTZCYRKZRQN-VELKRQBGSA-N 483.515 5.244 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 408877224 UIZPKCRGFDYQNU-WOJGMQOQSA-N 456.851 6.483 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OCc2ccccc2Br)c1 408880120 FVRHGHQNKMFGJM-CPNJWEJPSA-N 463.331 5.582 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 408890573 VVHPLTVNCZOGPG-DHRITJCHSA-N 487.737 5.094 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1cc(C)cc(C)c1 408894440 ICPCMQZVUVRJMY-YDZHTSKRSA-N 474.988 6.789 50 40 JKGB O=C(N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccccc1-n1cccc1 408926918 ZCIXNRWURRLLLC-ZCTHSVRISA-N 479.967 6.627 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)cs2)cc1 408933465 AXRYRLUNTBITFU-QFEZKATASA-N 464.388 6.041 50 40 JKGB Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1 409022945 IRRHPOOZVMIHBV-VYYCAZPPSA-N 461.905 5.176 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1F)C(=O)Nc1ccc(O)cc1 409043772 AMQWGCJYWBBJAK-CXUHLZMHSA-N 457.288 5.963 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1Cl 409052051 PTONOPIQIQCAAU-LUOAPIJWSA-N 482.194 6.952 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409087161 AWIUFXYDBAUTPB-GZTJUZNOSA-N 499.401 6.777 50 40 JKGB O=C(N/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1 409188996 MJBAXCWHFASLRZ-RPPGKUMJSA-N 463.799 5.823 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409195470 VADQKOLYBHLRAQ-MZJWZYIUSA-N 486.355 5.174 50 40 JKGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc(Sc4ccc(C)cc4)cc3)oc12 409239149 CFBQFCJEOBTGFH-VULFUBBASA-N 495.398 6.427 50 40 JKGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 409368191 OXJDQYFQCPZIGL-XODNFHPESA-N 470.787 6.343 50 40 JKGB COc1ccc2c(Cl)c(C(=O)NNC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)sc2c1 674904 NMGLLKBIIMLADC-VIFPVBQESA-N 473.765 5.099 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1CSc1nc2ccccc2s1 2293604 ZFZWERIYYNKYJS-LQKURTRISA-N 489.666 6.659 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cc3ccccc3nc2Cl)cc1)c1nc2ccccc2[nH]1 9090423 VCMLAAWERTUAGE-QGOAFFKASA-N 450.885 6.048 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCc1ccc(Br)cc1 15223465 YZHJYDHIAXMADS-XDHOZWIPSA-N 481.346 5.243 50 40 JKGB O=C(Oc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1)c1ccccc1 31847232 JSUGQLUZVNFZNV-GTWSWNCMSA-N 471.516 5.885 50 40 JKGB N#C/C(=C/c1ccccc1)C(=O)O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 33581479 YOQVTGWUYFVEOV-ZAVKOYKVSA-N 461.861 5.078 50 40 JKGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1Br 33731232 MMMKVHVEZPKZFM-PVLQNKMRSA-N 455.352 5.552 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)c(C)n1-c1ccc(Br)cc1 33957685 PQDSQFZAXKYMCB-VULFUBBASA-N 462.347 5.479 50 40 JKGB COc1cccc(/C=N/NC(=O)CN2CCn3c4c(c5cc(C6CCCCC6)ccc53)CCC[C@@H]42)c1 57151480 INNGXZYDWCJGSZ-NGUGDGFLSA-N 484.644 5.541 50 40 JKGB O=C(N/N=C/c1ccc(Br)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 59473382 VKKUMDBGNRHAIP-ZMOGYAJESA-N 459.796 6.159 50 40 JKGB COc1ccc(CCNC(=O)N/N=c2\cc(C)c3cc4c(cc3o2)OC2(CCCCC2)CC4)cc1 70655961 ZUNWEMZBTLXFJO-URGPHPNLSA-N 475.589 5.135 50 40 JKGB CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118924634 FOQAJGFTDYXPDS-WCDUFNLFSA-N 475.157 9.184 50 40 JKGB CCO[Si](CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)(OCC)OCC 199584124 WCLHRRQYSNARDF-UHFFFAOYSA-N 486.979 5.528 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3ccccc3Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])[nH]c2cc1C 408543420 OZQBCYOBAZRSEC-GZTJUZNOSA-N 478.430 6.963 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 408581615 JQNXYRZTRNJWNV-VCHYOVAHSA-N 489.196 7.408 50 40 JKGB C/C(=N\NC(=O)CSCc1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 408719691 KBJQBYZGONZVMI-WPWMEQJKSA-N 451.979 5.366 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc1OCC 408724905 DWWHOUKVTGJYDF-PDGQHHTCSA-N 455.352 5.521 50 40 JKGB Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2ccccc2Cl)c1)CCCC3 408731827 NEOMDJZCOUDBSY-VYYCAZPPSA-N 476.989 5.052 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1cccc(F)c1 408735652 VSBMFMULVFTBRU-VXLYETTFSA-N 450.897 5.921 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1)Nc1cc(Cl)ccc1Cl 408762813 MIKMCVSLXWANEQ-WKULSOCRSA-N 492.362 5.928 50 40 JKGB COc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccccc2)cc1 408767202 JYLRRPICVDZINB-UHFFFAOYSA-N 499.677 5.667 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1C#N 408794016 HNIIXESTQQZQRB-PCLIKHOPSA-N 493.563 5.819 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)c(Br)cc1OCc1ccccc1 408847178 PRPHOTWJWYAWME-CVKSISIWSA-N 483.362 5.199 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc2ccccc2c1 408855843 OJRHFYFOIDIGEO-UHBFCERESA-N 484.939 6.591 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3Cl)ccc3ccccc23)cc1 408867606 LPMAQQYAUFDIRN-HKOYGPOVSA-N 494.978 6.806 50 40 JKGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408881598 NUKWXWSGMZSDJA-OPVMPGTRSA-N 492.160 5.736 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Br)ccc3ccccc23)cc1 408890703 XWFLGHLFMZYVPV-CJLVFECKSA-N 497.392 7.035 50 40 JKGB Cc1cccc(NC(=O)Cn2cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c3ccccc32)c1 408963691 OMGLFJXFLHRPBI-AMVVHIIESA-N 478.474 5.371 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c(F)c1 408964724 DICOZGTXENJWPD-IPBVOBEMSA-N 460.267 5.486 50 40 JKGB N#C/C(=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1cccc([N+](=O)[O-])c1 409085301 ZCHSIWIEKSLLEU-XNTDXEJSSA-N 498.373 5.860 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1OCc1ccc(C)cc1 409231323 BVMPLWBJKOGTRQ-NWUVQHAMSA-N 466.581 6.096 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Cl)cc1Cl 409248493 DLDMAGGRZNZJAL-RGVLZGJSSA-N 494.378 5.543 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1OCc1cccc2ccccc12 409264094 JRUCPZWUWHIDEL-LQKURTRISA-N 485.496 5.108 50 40 JKGB O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccccc2)c1 409265982 VNKSKVIGMRSKPR-WPWMEQJKSA-N 494.389 5.287 50 40 JKGB O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccccc1OCc1ccc(Cl)cc1Cl 409363366 LKARGQOWIJSXPZ-VYYCAZPPSA-N 471.340 5.036 50 40 JKGB O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccn(Cc2cccc(Br)c2)n1 1081757 GUNQAMFGYNKYHF-WGOQTCKBSA-N 475.346 5.250 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)sc2c1CC[C@H](C)C2 1243860 KXYWKKQGFRNSRN-XOAFGZPJSA-N 478.545 5.994 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1Cl 2298932 ACKRCKYBSFCZJR-YBFXNURJSA-N 475.017 6.414 50 40 JKGB O=C(CCCCl)O/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccc(Cl)cc21 3069878 MKOVZROZKDQEDQ-MOHJPFBDSA-N 460.144 5.460 50 40 JKGB N#C/C(=C/c1cccc(C(F)(F)F)c1)c1nc(CCN2C(=O)c3ccccc3C2=O)cs1 8672476 SFQLXIPMUVNANY-GDNBJRDFSA-N 453.445 5.065 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCCOc1ccc(C2CCCCC2)cc1 8860838 BGIIKAXBNPXPTD-LHLOQNFPSA-N 496.607 6.746 50 40 JKGB COc1ccc(C(=NNC(=O)c2cc3ccccc3n2Cc2ccccc2)c2ccc(OC)cc2)cc1 8916942 BPIUQJRBWVOMIN-UHFFFAOYSA-N 489.575 5.889 50 40 JKGB COc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc1OC 9356784 LBCFEOYBYWBLSS-VUTHCHCSSA-N 488.613 5.043 50 40 JKGB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(C#N)=C(N)O3)cc1 9357906 FIISZJIFLPSMFY-QFIPXVFZSA-N 486.616 5.994 50 40 JKGB Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2cccs2)C2=C(CC(C)(C)CC2=O)N1 13284115 TZSUYVSIVKYUOJ-QFIPXVFZSA-N 498.073 6.147 50 40 JKGB CCOC(=O)N/N=C1/C=C2CC[C@H]3[C@@H]4C[C@@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 13362092 ZGBFIPQSPKDRKC-BIOFZXESSA-N 454.655 6.427 50 40 JKGB COc1ccccc1C(=O)NC1=C(C#N)[C@@H](c2ccccc2OC)c2ccc3ccccc3c2O1 13896460 OBENVHBNMYHGSB-SANMLTNESA-N 462.505 5.546 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1 13942295 APUOATXSGQQGQF-WOJGMQOQSA-N 450.853 5.302 50 40 JKGB Cc1ccc(NC(=O)NN(C(=O)NC2CCCCC2)c2nc(-c3ccc(C)cc3)cs2)cc1 16956844 LIGRAIJVCRJPRU-UHFFFAOYSA-N 463.607 6.012 50 40 JKGB N#CC1=C2SCN(Cc3ccco3)CN2C(=O)C[C@H]1c1cccc(OCc2ccccc2)c1 20238343 YSVCHRUDMOSSQZ-QHCPKHFHSA-N 457.555 5.074 50 40 JKGB COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Cl)cc1 33633506 KZYCBFHSQVXPKP-UYRXBGFRSA-N 475.932 5.220 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1ccccc1F 33700056 SEKRSUFGDYTGDK-JAIQZWGSSA-N 496.332 6.328 50 40 JKGB CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 33990518 TXGZJQLMVSIZEI-APTOLJODSA-N 491.672 6.291 50 40 JKGB in-vivo CCOc1cc(/C=C(\C#N)C(N)=S)cc(I)c1OCc1ccc(Cl)cc1 35105505 UUSRPVVDUAMNND-VGOFMYFVSA-N 498.773 5.115 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 59117076 JIUXPHNQLVECDE-UNOMPAQXSA-N 467.352 6.517 50 40 JKGB C=CCc1cc(/C=N\NC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(OCC)c1O 59248827 UDCQRNLRFDFJKJ-YKQZZPSBSA-N 473.617 6.143 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3c(C)cccc3C)N=C3CCCC(O)=C32)ccc1O 102617350 AGHMEQCIAQXKPB-XMMPIXPASA-N 489.597 5.659 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 102866663 VNFGXQPCSAQHGN-HSZRJFAPSA-N 498.435 6.943 50 40 JKGB O=C(Cc1ccccc1)N/N=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1 108161207 VCKOYSHAEXBUFP-WKIKZPBSSA-N 490.774 5.357 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccccc1Cl 408541230 CEAWOQAWGSTHJR-GRSHGNNSSA-N 454.309 6.343 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)[nH]c2cc1C 408543818 RBPHLZSXZBWCOS-YBFXNURJSA-N 471.391 7.554 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)c(C(=O)OCC)c1C 408546260 FPKASAFLHSXRAG-RIYZIHGNSA-N 480.369 5.436 50 40 JKGB C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(Cl)cc1Cl 408578946 BYXAXKGLXFXPTE-WUXMJOGZSA-N 485.990 6.595 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)c(C)n1-c1cccc(Cl)c1Cl 408588242 INJLTILDOBUTIO-YSURURNPSA-N 481.177 5.633 50 40 JKGB CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 408712096 ZIBYJBYWXGBEEU-QRQIAZFYSA-N 466.965 5.409 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(C)c1 408745794 PDQMSEOSYHGGGM-ODLFYWEKSA-N 467.352 6.435 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1ccccc1Cl 408795477 MLKJQUDPUSMQEN-FYJGNVAPSA-N 495.406 7.079 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1ccc(Cl)cc1 408802519 YLNJGURSEYZBDN-OUFZILDSSA-N 452.982 5.920 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(OCc2cccc3ccccc23)c1 408814833 ZSTPGRHABIZXHI-HZHRSRAPSA-N 482.967 6.935 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1 408857959 ODBILLRKWFVLQO-VULFUBBASA-N 487.781 5.844 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2F)cc1Cl 408865468 CORUDHVJUPQVGW-YBFXNURJSA-N 483.768 6.687 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1Cc1ccccc1Cl 408870063 UTRAVULPCYXZII-CIAFOILYSA-N 465.380 6.837 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Br)cc1)C(=O)Nc1cccc(Cl)c1 408877424 RMZCHFFNRMQQIX-CPNJWEJPSA-N 451.751 6.239 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1cccc2ccccc12 408878396 BBEZVSRFDXAMCG-WKULSOCRSA-N 479.363 6.498 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)ccc1Br 408904709 NKFZZBBEGNGZID-GATIEOLUSA-N 494.220 6.627 50 40 JKGB Cc1ccc(Sc2oc(/C=N\NC(=O)Nc3ccccc3Cl)cc2Br)cc1 408913176 TUOMFJCBMWDLDV-JJFYIABZSA-N 464.772 6.311 50 40 JKGB Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c1 408936326 HRLKLPFUYCFWRK-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OCC)c1OCc1ccccc1Cl 409069398 XOODYQAAHSHHPJ-LFVJCYFKSA-N 486.999 6.900 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4ccc(C(=O)OC)c(Cl)c4)o3)cc2c1 409186431 BXVUQUOAPFFBCC-ZMFRSBBQSA-N 466.877 5.295 50 40 JKGB CCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OCC)c1 409304171 QHHBUNCUIDGYAM-QRQIAZFYSA-N 466.965 5.870 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCc1ccccc1Cl 1439459 FNOWBDXUFWBXHR-DEDYPNTBSA-N 475.932 5.432 50 40 JKGB N#CC1=C(S)N(c2ccccc2)[C@@H](/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)NC1=O 2670594 QWHDDLHBTAHTHE-MAIVGLDJSA-N 468.365 5.894 50 40 JKGB CCOc1ccc(OC)cc1/C=N/NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1Br 3175160 NHHQENMBMZWXLJ-XYCMHOAJSA-N 485.378 5.317 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)[C@@H]1CC1(c1ccccc1)c1ccccc1 3659589 SPVINALPNWKUBD-ZUXQIOPWSA-N 475.375 6.710 50 40 JKGB CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1 9461980 MQNBFILSWWYZED-RTWFUWSXSA-N 472.614 5.244 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1cc(Br)ccc1O 14408677 JMDXALUIFDFMCP-JFLMPSFJSA-N 475.342 5.651 50 40 JKGB CC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccc(Cl)cc1 20347688 PVVGVVSGWTXANS-DEOSSOPVSA-N 480.033 5.922 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CSCc4ccccc4)cc3)c2C)c1 28216939 HWFKMCAYQRNDCP-UXHLAJHPSA-N 467.638 6.600 50 40 JKGB Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Br)cc2)cc1 31783780 QIKHJWVOSNHFQX-HMAPJEAMSA-N 468.372 5.675 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1 33560435 IUOIMOZRCDAQDO-OGLMXYFKSA-N 473.370 5.874 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 59225002 IMIRXGYDYXQHPL-DEDYPNTBSA-N 451.353 6.680 50 40 JKGB CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)ccc1OCc1ccccc1Cl 107722085 VRDCIKMHEWATPY-CPNJWEJPSA-N 479.026 7.584 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cn(CC(=O)Nc2cccc(C)c2)c2ccccc12 107979065 HKMJLWMIEYGUEK-KBVAKVRCSA-N 490.563 5.514 50 40 JKGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2C(C)=CC1(C)C 208517180 RIWWCPAUXAZEOR-ODLFYWEKSA-N 464.407 6.325 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1Cl 209280606 YNPHTOSVANNARH-UNOMPAQXSA-N 497.378 6.525 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)c1ccc(Br)cc1 408581447 WVZXZXYKZXWYBF-VCHYOVAHSA-N 459.170 7.399 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)cc1 408724957 HRPKUGOLNJQSBQ-QNGOZBTKSA-N 487.512 5.517 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(I)c1)C(=O)Nc1ccccc1 408742503 PIWIYRVYPZGODF-WQRHYEAKSA-N 498.295 5.555 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1 408776975 UAPCMQJIOLPYMN-LGJNPRDNSA-N 488.396 5.253 50 40 JKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccccc2Cl)c2ccccc12 408802764 HDHBGDATTGKXBT-RCCKNPSSSA-N 469.972 6.514 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408854110 XXJVMRCRHDAATM-LICLKQGHSA-N 471.315 6.266 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(OCc2ccc(Br)cc2)c1 408880112 DHIXDAKMEAZFNN-LDADJPATSA-N 481.321 5.721 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc2ccccc12 408883420 SRTCTJJVBZDTCF-XQNSMLJCSA-N 452.941 6.926 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 408892769 CIEDTOIJVBCTMV-XDHOZWIPSA-N 496.972 5.279 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1cc(C)cc(C)c1 408893827 GADZBOLDNKOBAI-HZHRSRAPSA-N 456.542 5.835 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccccc3)c2C)cc1I 408922569 FETPQLAKMITULQ-CIAFOILYSA-N 495.364 5.231 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)C(=O)Nc1ccc(F)cc1 409046629 KQVFERJHPGSBLP-SFQUDFHCSA-N 494.320 5.151 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2)cc1 409054390 FTDDJPBYXOYNGU-YBFXNURJSA-N 481.335 5.905 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1Cl 409146973 URYSPSQNDQOBQV-QFIPXVFZSA-N 484.383 5.311 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OCC)c1OCc1ccc(F)cc1 409194784 RCKQBMYYUKDSLB-MUFRIFMGSA-N 466.940 5.949 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2)c1C 409252256 CXZKMCYDODCLOD-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB COC(=O)c1cc(-c2ccc(/C=C(/C#N)c3ccc(I)cc3)o2)ccc1Cl 409374066 XCXPCVVFTPTNAS-GDNBJRDFSA-N 489.696 6.055 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)n1 726198 BJHBQCNEIIHJOJ-YSURURNPSA-N 462.406 5.050 50 40 JKGB Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccccc3Br)s2)cc1 2327173 JGLFZMWZKMHHEN-UFFVCSGVSA-N 493.477 5.144 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)sc(C(=O)OC)c1C 2359119 DBMYQFUELCDQEW-PTNGSMBKSA-N 453.545 5.120 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1OCc1ccccc1)c1ccc(O)cc1 3089069 HXPLUIYOZUDJCE-RDRPBHBLSA-N 452.510 5.314 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cc(C)ccc3C(C)C)nc3ccccn3c2=O)cc1 3644054 SUOJTDJVFWFQJL-LTGZKZEYSA-N 478.552 5.773 50 40 JKGB C=CCSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2OC)=C(C)N1 6137129 QYVVLMXRPDFJPH-QFIPXVFZSA-N 451.979 5.602 50 40 JKGB COc1ccccc1C(=O)N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1 8854534 HZHRPNPDROBVQG-VULFUBBASA-N 464.930 5.546 50 40 JKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3cc4oc5ccccc5c4cc3OC)n2)cc1 9008780 GVCLOJGSQXHETE-XDJHFCHBSA-N 451.551 7.257 50 40 JKGB CCn1c(SCC(=O)N/N=C(/C)c2ccc3ccccc3c2)nnc1-c1ccc(Cl)cc1 9357942 PEOMAXJVLJQVSZ-QQXSKIMKSA-N 463.994 5.404 50 40 JKGB Cc1ccc(C)c(CS/C(Nc2cc(C)ccc2C)=C(\C#N)S(=O)(=O)c2ccccc2)c1 12437533 KECXETGXKWYUBW-OCEACIFDSA-N 462.640 6.432 50 40 JKGB CC[C@H]1CCc2sc(C(=O)N/N=C/c3ccc(N4CCC(c5ccccc5)=N4)cc3)cc2C1 12634301 RQCGABMOABOCJB-VKLJRCAFSA-N 456.615 5.641 50 40 JKGB O=C(CSCc1ccccc1Br)N/N=C/c1c2ccccc2cc2ccccc12 20249086 UMFUNKGCRMZQGR-VULFUBBASA-N 463.400 6.139 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)NCc1ccccc1 24494667 ZCQBLOLJWTUOLT-UDWIEESQSA-N 465.322 5.391 50 40 JKGB C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1ccc(Cl)cc1 28350981 PZNBBHPFWWDYIT-VEILYXNESA-N 463.006 5.679 50 40 JKGB C#CCOc1c(Br)cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OCC 35154005 DOIDHRZYVRLHJO-YVLHZVERSA-N 450.336 5.417 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1cccc(Cl)c1 59297366 QONIERBAUARRAK-LPYMAVHISA-N 460.961 6.480 50 40 JKGB CCC(C)(C)c1ccc(OCCCC(=O)N/N=C(\C)c2ccccc2O)c(C(C)(C)CC)c1 102895689 GYDUFRIWLVKBKT-ZTKZIYFRSA-N 452.639 6.467 50 40 JKGB CCCCCCCCCCCCCCC(=O)NNC(=O)CCCCCCCCCCCCCC 103001015 XWTKJGGQZKVPDN-UHFFFAOYSA-N 480.822 9.316 50 40 JKGB S=C(SSC(=S)[C@@H]1CCC/C1=N\C1CCCCC1)[C@H]1CCC/C1=N/C1CCCCC1 104198382 HMXOLEOABAQJDG-JNKMWVSASA-N 480.834 8.170 50 40 JKGB CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)cc1OC 108991764 HSGYURDJDKHAOR-XVQOCTBXSA-N 459.757 5.362 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OC 408541295 YWQHHRNBFYOEDU-UYRXBGFRSA-N 475.416 7.287 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 408582252 MNRLBKDZRFKQHL-XDHOZWIPSA-N 454.751 6.754 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1 408691919 XYPMVNCNDIAWMQ-BRJLIKDPSA-N 459.775 5.072 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1-c1ccc2ccccc2c1 408724048 DDOYKULWQDVVFQ-FMFFXOCNSA-N 496.570 6.624 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2C)cc1Cl 408745153 KHFKMLNBXHVFPN-BOPFTXTBSA-N 468.340 5.733 50 40 JKGB N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)c1ccc(Cl)cc1Cl 408780026 QGSXCBGVNSGTFG-LGMDPLHJSA-N 483.851 8.458 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(F)cc1 408791411 XHOGYGAVDUDMNZ-CPNJWEJPSA-N 450.897 6.002 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C)c(C)c2)cc1 408814583 RRAHMNZZOKOCQA-HYARGMPZSA-N 460.961 6.480 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC(C)C)c(OCC)c2)cc1 408816701 ZCLLERSLJIBOLY-WOJGMQOQSA-N 456.926 5.248 50 40 JKGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccccc1 408820636 XPPHYRNFKBYGNV-IREQLNLFSA-N 492.211 5.612 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OC)c1OCc1cccc(C)c1 408821300 FWQXYRDCWULEJL-QQXSKIMKSA-N 482.580 5.543 50 40 JKGB C#CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(C)cc2)cc1 408823542 FYYSGAAYIWBZQS-XQNSMLJCSA-N 452.510 5.140 50 40 JKGB C#CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 408830322 NZMHCNASTRKPHZ-RCCKNPSSSA-N 472.928 5.485 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408880248 GUSQMXXRZUITBW-CXUHLZMHSA-N 489.831 5.366 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 408894954 JWEZACHXZHKRPB-KKMKTNMSSA-N 477.775 6.307 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccccc2F)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408935093 GPXWUNQIJFAHFE-UQQQWYQISA-N 478.523 6.529 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1O[C@H](C)CC 408967986 TXABUSXSWABDIP-SUZBBLJPSA-N 487.316 5.808 50 40 JKGB C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1 409044479 CRWXRZJWHKAXNH-RIYZIHGNSA-N 464.113 5.749 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccccc1 409129009 TWZJZAQCNMYIFA-HSZRJFAPSA-N 493.357 5.351 50 40 JKGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1Cl 409321038 DWCLKBLWXINIIG-MBTHVWNTSA-N 483.351 5.357 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(OC)c1OCc1ccccc1 409391858 LVQBCCBYEQRKHN-HMAPJEAMSA-N 451.526 5.952 50 40 JKGB CCOC(=O)[C@H]1[C](n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccco3)c2C)SC2=C1CCCC2 409415813 QPMWLYDHSJYKFJ-UOCRBVKVSA-N 478.594 5.013 50 40 JKGB COC(=O)[C@@H]1C(=O)NC(SCc2cccc3ccccc23)=C(C#N)[C@H]1c1ccccc1Cl 859122 YNXNPKLFUGMYLD-YADHBBJMSA-N 462.958 5.164 50 40 JKGB COc1ccc(-c2csc(N(NC(=O)c3ccc(C)cc3)C(=O)Nc3ccccc3)n2)cc1 1415231 FQXYJDPTDQELBK-UHFFFAOYSA-N 458.543 5.511 50 40 JKGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1[nH]c2ccc(Br)cc2c1-c1ccccc1 2203234 AAPXQSJUGGTAHJ-ZMOGYAJESA-N 463.291 5.270 50 40 JKGB O=C(/C=C/c1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 3058916 GLOKHUDQTSNZNY-NSXIXCKWSA-N 489.531 5.322 50 40 JKGB CCc1cc2c(=O)c(-c3nnc(-c4ccccc4)s3)c(CCl)oc2cc1OC(=O)CCl 3310797 VPTZSKNTKLIUCE-UHFFFAOYSA-N 475.353 5.424 50 40 JKGB COc1cc(/C=C(\C#N)c2ccccn2)ccc1OCC(=O)Nc1c(Cl)cccc1Cl 8687517 MKMXLKZKCBGRGT-LFIBNONCSA-N 454.313 5.479 50 40 JKGB Cc1occc1C(=O)NNc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 9119942 NCRBKBCSVMUNML-UHFFFAOYSA-N 471.007 5.784 50 40 JKGB Cc1ccc(/N=N/c2ccc(O)c(/C=N/NC(=O)c3ccccc3Br)c2)cc1C 10060111 FYTWCLOHMZRYOJ-ZXSYOUNQSA-N 451.324 5.951 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1cccc(O)c1 13583760 XCHJMXQZWLMFBS-QQXSKIMKSA-N 484.025 5.442 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)ccc1OCc1ccccc1 13658245 UKJHUVMQXLWLSN-FYJGNVAPSA-N 469.522 6.370 50 40 JKGB COc1ccc(-c2nnc(SCC(=O)N/N=C/C=C\c3ccco3)n2-c2ccc(Cl)cc2)cc1 13941005 CSHXMOIUCHZDAP-HMCJDLQRSA-N 493.976 5.097 50 40 JKGB CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CC)C(=O)C(C#N)=C2C)cc1 16741521 NWOXLTAJEFDAEI-JLPGSUDCSA-N 482.609 5.654 50 40 JKGB COc1ccc(/C(C)=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1Br 20244013 FWOOQQISUQQRKO-PCLIKHOPSA-N 469.404 5.904 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 28216738 USMAVVZLBCAOTM-FCLYZYNOSA-N 460.430 6.173 50 40 JKGB O=C1Oc2ccc([N+](=O)[O-])cc2[C@@H]2c3sc(=O)n(-c4ccccc4)c3S[C@H](c3ccccc3)[C@H]12 33354976 INXHNHDHJSVIEL-PWRODBHTSA-N 488.546 5.321 50 40 JKGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cc2cc([N+](=O)[O-])ccc2s1 33669025 OMWGWNGKMOWOKM-AUEPDCJTSA-N 460.298 6.140 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 59224794 PWQQGNYNOGUBBH-WOJGMQOQSA-N 478.302 5.482 50 40 JKGB CCCCCCCOc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(Br)cc2)cc1 100035257 UVZYUEVYVQTZSZ-NLRVBDNBSA-N 488.426 5.667 50 40 JKGB CCS(CC)(CC)C[C@@H]1CCCC2=CC[C@H](P(=O)(c3ccccc3)c3ccccc3)C[C@H]21 102942005 QSMSZCUPJSORMZ-OWPQXHQJSA-N 468.687 7.370 50 40 JKGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1 108904710 MHGCSRPLWRCFEI-KCSSXMTESA-N 485.543 5.683 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1cc(Cl)ccc1Cl 108926089 ZMCKNCKDVOXVHA-OPEKNORGSA-N 487.368 6.288 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1ccc(F)cc1 408545288 XKIKVGBDKNKFQM-JAIQZWGSSA-N 496.332 6.328 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1ccc(Br)cc1 408579630 IVIOBERFCVGDRA-HYARGMPZSA-N 474.785 7.899 50 40 JKGB N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 408719654 NZXBVQBXUIAABZ-FRKPEAEDSA-N 493.306 6.092 50 40 JKGB COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCc1ccc([N+](=O)[O-])cc1 408741151 HBOYMBUJZHKFFC-JMIUGGIZSA-N 479.496 5.191 50 40 JKGB O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1cccc(F)c1 408741200 OKKGBADMBHXTCP-RUMWWMSVSA-N 459.524 6.714 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(C)c2)cc1 408787447 AGIGOQFBXITQIF-DEDYPNTBSA-N 477.358 5.891 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1 408793535 FRCLDQOVSNHYBA-NLRVBDNBSA-N 499.570 6.565 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1cccc(C)c1 408794798 SYRNSLOHSMTDBI-CIAFOILYSA-N 491.385 6.199 50 40 JKGB N#C/C(=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)C(=O)Nc1ccc(O)cc1 408796408 AGABNPPHZGFXCM-HMMYKYKNSA-N 465.465 5.578 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1Cl 408814738 WDSJONAJNCIMAN-KGENOOAVSA-N 470.931 7.065 50 40 JKGB COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 408821970 ABDPOFVRILCDGR-LTGZKZEYSA-N 468.940 6.626 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(C)c2)c(OC)cc1Cl 408833368 JOSDPFUCTDBTBM-UDWIEESQSA-N 462.933 5.790 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(C(C)C)cc3)c2C)cc1Cl 408972588 PHUDOOFTJSAUGJ-MZJWZYIUSA-N 450.970 5.268 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1Cl 408981840 CGJUBLWQRRNIPS-YBEGLDIGSA-N 478.848 5.803 50 40 JKGB O=C(N/N=C/c1cc(Br)c(Sc2ccccc2)o1)c1ccc(Cl)cc1Cl 408998321 PYHVFRAHHYTDDX-LSHDLFTRSA-N 470.175 6.264 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1F)C(=O)Nc1ccc(F)cc1 409045740 HNTJAVWLYNMOIK-CXUHLZMHSA-N 459.279 6.396 50 40 JKGB CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 409046206 JFCRILVFQYFXHW-MDWZMJQESA-N 498.602 6.199 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cc(-c2ccccc2)nc2ccccc12 409047900 VDFZTDJRZXWFKF-OKCVXOCRSA-N 486.358 7.233 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1cccc2ccccc12 409109000 ZJVULPISIJTDGT-GDLZYMKVSA-N 492.531 5.764 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cn(Cc4ccccc4Cl)c4ccccc34)cc2c1 409188128 AXVPQUBASBLXAM-FDVSRXAVSA-N 471.944 6.252 50 40 JKGB CC(C)OC(=O)COc1ccc(/C=N\NC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 409335694 LRCWJWDYZCQXML-LQNQUEJISA-N 489.616 5.640 50 40 JKGB O=C(CNc1ccc(Br)cc1)N/N=C/c1cccc(OCc2cccc3ccccc23)c1 409355739 KQANUYUFHZCQEH-MUFRIFMGSA-N 488.385 5.744 50 40 JKGB COc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)c(-c3ccccc3)c2c1 409397828 OMHWRYLJQVSIDA-UHFFFAOYSA-N 479.492 5.420 50 40 JKGB C/C(=N/NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 8399828 CZZMAJNSBMISRN-ZMFRSBBQSA-N 471.300 5.308 50 40 JKGB COc1cc2c(cc1N/C=C(\C#N)c1nc(-c3cc4ccccc4oc3=O)cs1)oc1ccccc12 8818211 UVWLKAWCUUGOGG-SAPNQHFASA-N 491.528 6.801 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCCSc1cccc2ccccc12 8861513 FQSWTVSCGKQCIG-MTDXEUNCSA-N 457.555 5.178 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1cc2cc(Br)ccc2o1 9259095 FHGNNIYQJLHOCU-LGJNPRDNSA-N 467.294 5.677 50 40 JKGB COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccc(Cl)cc2)=C(C)N1 9354753 BKLWVQHHOMYHBB-OAQYLSRUSA-N 488.396 5.234 50 40 JKGB Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2cccnc2)ccc1OC(C)C 16700234 ADYLLPSVQLYCKZ-IWIPYMOSSA-N 477.568 5.253 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)cc1 16701241 QTTKNDDYZIJTLD-NMWGTECJSA-N 468.601 6.074 50 40 JKGB Cc1cccn2c(/C=C(\C#N)C(=O)Nc3cccc(Br)c3)c(-c3ccccc3)nc12 16749883 PFSZYJVODQGXSM-QGOAFFKASA-N 457.331 5.618 50 40 JKGB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1 20347831 MOICBEYZZNVSIR-SANMLTNESA-N 499.592 5.399 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccc(C)cc1 23382501 CYTKHBJENNNMOV-JAIQZWGSSA-N 452.323 6.548 50 40 JKGB Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccccc1I 33622144 LJNSLSTUMYTISN-SFQUDFHCSA-N 464.310 5.639 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1 33647910 UJLOEVQEIZZSKA-LFIBNONCSA-N 467.859 5.181 50 40 JKGB Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(\C#N)c4ccccc4)c3C)sc3c2CCCC3)cc1 59248694 CTUWOGREQAVZRT-XIEYBQDHSA-N 491.660 7.659 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(F)cc1 59281890 NLCBMEFKJYDQFZ-XDHOZWIPSA-N 461.449 5.257 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 59292138 STOBVRGNRHQWAN-QNGOZBTKSA-N 476.960 6.262 50 40 JKGB COc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1 108975431 YVTPHOUQTXNIPH-MNBJERMJSA-N 493.563 6.192 50 40 JKGB CCN1c2ccc(/C=N\NC(=O)COc3cccc(Br)c3)cc2C(C)=CC1(C)C 208502517 QGBJUWALAICLND-QFEZKATASA-N 456.384 5.000 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408545242 WWFWKAUIBARZJA-XYGWBWBKSA-N 486.999 6.618 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1cccc(C(=O)O)c1 408550260 FHNCIMZZXCFDBD-MSXFZWOLSA-N 469.924 6.843 50 40 JKGB CC[C@H](C)n1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c2ccccc21 408566552 ALBBKAJTEBHVJW-YSGZUTGPSA-N 453.633 5.620 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1Cl 408578693 AJMCACWJROVBDE-WOJGMQOQSA-N 458.772 7.689 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 408726583 TYSBURBDHRVISR-UYRXBGFRSA-N 467.352 6.517 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(I)c1OCC 408727281 ZKMCRRBMZWSWKO-BOPFTXTBSA-N 490.341 5.197 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)c1 408746782 VPRKWSZZIQOOHY-ODLFYWEKSA-N 480.923 6.011 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1ccc2ccccc2c1 408764005 VNKWUDJDYLFFPT-RCCKNPSSSA-N 463.449 5.513 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)ccc1OCc1ccc(F)cc1 408797975 DDXOJTKWBGCZBB-KGENOOAVSA-N 460.505 5.666 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1 408814537 PPLHPBIAPINRCD-YBFXNURJSA-N 481.777 6.536 50 40 JKGB Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3cc(Cl)ccc3OC(C)C)cc2)cc1 408823528 FUGFRNNIEGBWKD-HYARGMPZSA-N 460.961 6.560 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Br)cc1 408885869 GESMCMOUHIYQGX-XMHGGMMESA-N 463.331 5.582 50 40 JKGB CCCCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)cc1 408963266 BEYPQDHEEOWRDH-JVWAILMASA-N 458.518 5.855 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1ccc2ccccc2c1 408965512 HYCPBCQEBMSORY-KBVAKVRCSA-N 467.500 5.592 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 409044439 CVPIVZUDAFXCET-DEDYPNTBSA-N 489.959 5.610 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)Cc2ccccc2Cl)cc1 409063296 KFAIHNKYXGMKRG-LQKURTRISA-N 498.048 5.113 50 40 JKGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 409124307 AWQOCYJAXTUGOC-YCPBAFNGSA-N 488.223 6.944 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(Cl)c(Cl)c1 409127357 POUWSHABWKJOTB-HSZRJFAPSA-N 469.324 5.505 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1ccc(Cl)cc1 409195758 RZTLOIWHYFPUBA-RWPZCVJISA-N 493.788 6.599 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1 409267653 WSPSXBICUGCBGU-BKUYFWCQSA-N 473.960 5.828 50 40 JKGB O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 409359053 VNRNPAPQIZLLQP-KKMKTNMSSA-N 490.760 5.383 50 40 JKGB COc1ccc(CC(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)cc1OC 409366335 UKDNMYHQFDYUOY-MIXAMLLLSA-N 454.526 5.129 50 40 JKGB CCN(CC)c1ccc([C@H]2C(C#N)=C(N)N(c3ccc(OC)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 713365 GKLXONSTPIDDSL-SANMLTNESA-N 470.617 5.482 50 40 JKGB O=C(N/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cc2ccccc2o1 2323349 NYACYFUAAHQBPQ-UVHMKAGCSA-N 469.375 5.916 50 40 JKGB Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(-c4cccc(Cl)c4)o3)s2)cc1 2332018 QTKFFNIGHRWHPW-CPNJWEJPSA-N 459.958 6.501 50 40 JKGB N#C/C(=C\Nc1ccc(Cl)cc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 9327356 BESGASZQRDHLCG-JLHYYAGUSA-N 484.762 6.309 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc(Br)c1O 12140025 PSQDOIOLKBZKNA-MKMNVTDBSA-N 481.327 5.457 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1cc(/N=N/c2ccccc2)ccc1O 13943598 DTMLGCDWMISVCT-AKLOZWKMSA-N 450.498 6.004 50 40 JKGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 14007892 BYVFOKXVDATYFW-UDWIEESQSA-N 491.377 6.391 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1cccs1 20025929 AVZUHQSKNISAPS-HSZRJFAPSA-N 479.627 5.162 50 40 JKGB CCCc1n[nH]c2c1[C@@H](c1cc(Cl)ccc1OCc1c(F)cccc1Cl)C(C#N)=C(N)O2 22709065 RJLRQPWKDJTOTQ-FQEVSTJZSA-N 473.335 5.605 50 40 JKGB CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 30937343 MPIFAOIGZKWIAI-LQKURTRISA-N 450.966 5.746 50 40 JKGB COc1cc(/C=N\NC(=O)COc2ccccc2Cl)ccc1OCc1ccccc1Cl 32193940 GFQIPYYFZSEFPZ-ZMFRSBBQSA-N 459.329 5.110 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 59335012 WQJHQFKWMMJWSX-STZFKDTASA-N 457.486 5.427 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1cccc(C)c1 408544920 WBDHIZHHEDQLFW-JMIUGGIZSA-N 476.916 5.480 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1OC 408583702 WSZZKSKASVKKEU-DJKKODMXSA-N 453.897 6.148 50 40 JKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 408598575 DVOOSEBTNQZLDH-RWPZCVJISA-N 455.385 6.634 50 40 JKGB CCc1cccc(CC)c1N1C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O 408653955 QFIJLQMGAWRUNP-FPOVZHCZSA-N 476.400 5.241 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1Cl 408718717 BDBDQAHQCPGRTP-RWPZCVJISA-N 487.383 5.673 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc(F)cc2)cc1-c1ccc(-c2ccccc2)cc1 408724132 GABDWTGCKUVTFL-UZWMFBFFSA-N 474.539 6.418 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Br)cc1 408746020 QGARCTWXIDMROC-MOSHPQCFSA-N 477.358 5.891 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1 408766013 YNKWXGRHPRAVIR-QGOAFFKASA-N 497.370 5.071 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Br)cc1OC 408787508 BBNNLEMFJRDMIQ-MDWZMJQESA-N 480.156 5.165 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1ccc(Cl)cc1 408797700 GWQXWVGIFAVDTA-XDHOZWIPSA-N 467.352 6.435 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 408799552 ZRIKRQZAJBKCGK-XDHOZWIPSA-N 491.887 5.159 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1 408802678 GAKKHUMDQRQYEA-FYJGNVAPSA-N 460.917 5.560 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1ccc(Br)cc1 408819536 XPPDGKVMINFXDJ-FJFJUCHQSA-N 483.406 5.639 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)ccc1O 408848981 XOKSJZVCPFSTKV-LGJNPRDNSA-N 478.961 5.685 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)cc2)c(C)c1 408880071 IUYBHOQOHAAFBX-KGENOOAVSA-N 461.359 6.191 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2F)c(Cl)c1)C(=O)Nc1ccc(Br)cc1 408882934 ORJLWYVKNBCOGO-WOJGMQOQSA-N 469.741 6.378 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1 408883183 RVOJFKJRFXDZEE-OQKWZONESA-N 466.512 6.502 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1cccc2ccccc12 408899509 PYABYRCEAQNQKG-FYJGNVAPSA-N 473.359 7.271 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OCc1ccccc1C 408922950 HVPSUOMDLWFNCB-YBFXNURJSA-N 476.916 5.480 50 40 JKGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC 409045355 PJIHFPCSCCSTJK-OGLMXYFKSA-N 484.581 5.891 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=N/NC(=O)c3ccc(C)c(Cl)c3)cc2Cl)cc1 409052685 LNQVPEPZRABMOF-KKMKTNMSSA-N 461.776 6.607 50 40 JKGB COc1ccccc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 409258430 UCJGPVLZEADVBS-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1cccc(OCc2ccccc2)c1 409267476 VUWIXTCQVXYXKY-OGLMXYFKSA-N 463.965 5.487 50 40 JKGB Cc1ccnc(Sc2oc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)n1 409270051 FLWOTZGTEGHBIK-XYOKQWHBSA-N 475.755 5.491 50 40 JKGB CC1(CC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)SCCS1 409362607 JOJBDUYEECDCHZ-FSJBWODESA-N 455.432 5.609 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)C(c1ccccc1)c1ccccc1 409393553 YKOONTLNQJQDDP-NDZAJKAJSA-N 499.408 6.310 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1Cl 956039 SMRCQPATWZBORV-CPNJWEJPSA-N 472.932 5.408 50 40 JKGB Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c(Br)c1 2055715 GWTQREZYSQEHMG-BHGWPJFGSA-N 461.743 5.508 50 40 JKGB C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cccc(OCc2cccc(Br)c2)c1 2187991 YDXPDIREABZDRS-HEOQCTJZSA-N 487.781 5.599 50 40 JKGB CC(C)(C)c1ccc(OCc2ccc(C(=O)N/N=C/c3cccc(C(F)(F)F)c3)cc2)cc1 3320769 MZRXQPTWKFNGPA-OKCVXOCRSA-N 454.492 6.346 50 40 JKGB C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 8399505 VJTPLVNCZLWCHB-VYYCAZPPSA-N 485.327 5.237 50 40 JKGB C/C(CCc1ccccc1)=N\NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 8843166 CRXTWVQHWJOABH-QCCZVWFUSA-N 457.599 5.199 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1COc1ccc(F)cc1F 8934424 MBRDSRAEHJSURG-HSZRJFAPSA-N 486.478 5.161 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCc1ccc(C)cc1 9202346 RSYILOSVJADJDX-JFLMPSFJSA-N 481.390 5.808 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc4ccccc34)s2)cc1OC 12275949 QUADSHDHNBQVIP-UDWIEESQSA-N 455.539 5.450 50 40 JKGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 20158531 YQYKTHNYQKBIAK-AJBMTWKMSA-N 495.988 5.314 50 40 JKGB COc1ccc(/C(C)=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1Br 20244012 ZROUZMVHQNEFOL-MTDXEUNCSA-N 492.417 5.170 50 40 JKGB COc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(C(C)C)cc3)n2-c2ccccc2)cc1 33343034 GQGHZXQKEADZRK-QRQIAZFYSA-N 485.613 5.309 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OCc1ccc(F)cc1 35363165 JGCCMSAPSFPJCX-IUXPMGMMSA-N 471.315 6.266 50 40 JKGB CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(C(=O)OC)cc2)cc1 38683477 SQJLZXVLLXMSTJ-SANMLTNESA-N 498.535 5.089 50 40 JKGB CCOc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 58925355 VDQHBIDYDIVHIZ-UHFFFAOYSA-N 492.041 5.151 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(F)cc2)c1 59201291 AFLLWHPBUYTPMB-UDWIEESQSA-N 479.349 6.330 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl 59425667 AVLMHQBUJZPVLB-BRJLIKDPSA-N 474.300 5.253 50 40 JKGB COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)/C(C#N)=C/c2ccco2)[C@@H]3c2ccc(OC)cc2)cc1 67321606 DHWUBFOYUAUVOK-GGGIIUDGSA-N 493.563 6.027 50 40 JKGB Cl[C@@H](CCCCCCCC[C@H](Cl)CC(Cl)(Cl)Cl)CC(Cl)(Cl)Cl 100352644 DREMSNSFGXXOEH-RYUDHWBXSA-N 473.954 8.843 50 40 JKGB N#C/C(=C/Nc1ccccc1I)c1nc(-c2cc3ccccc3oc2=O)cs1 100418856 GHDOYKASXMYWJT-KAMYIIQDSA-N 497.317 5.498 50 40 JKGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 107939206 PVVAFPYIOYWJGE-LGJNPRDNSA-N 456.329 5.295 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccc(Cl)cc1Cl 408543587 OZGVIJDNQQKNBN-GRSHGNNSSA-N 454.309 6.343 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1F)c1ccc(C(=O)O)cc1 408544049 ROBHGTDVXQVZCG-ODLFYWEKSA-N 452.279 5.930 50 40 JKGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 408611718 RVMATWQEZBPWKI-RWPZCVJISA-N 498.366 5.226 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2-c2ccc3ccccc3c2)c1 408726780 UOZPVGZESIULDK-RDRPBHBLSA-N 475.508 5.673 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)c1 408745544 NQBRETHHBMSSLL-ODLFYWEKSA-N 495.348 6.112 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(F)cc1 408746181 YANJEWOUXPYTOD-UYRXBGFRSA-N 495.348 6.112 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 408765833 QOBHGTXVCSLCFS-IPPBACCNSA-N 494.334 5.290 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 408788473 KGVXDLXWZJRQKY-DEDYPNTBSA-N 495.362 6.295 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc2ccccc2c1 408793634 FRWBOCMZAHKKAT-JVWAILMASA-N 476.576 6.980 50 40 JKGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)cc1 408810365 JNTASJCDKKKZIP-HESIGYJKSA-N 453.380 5.630 50 40 JKGB COCCCNC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 408820500 WQAIBUUWVYIIIS-LZYBPNLTSA-N 483.779 5.294 50 40 JKGB CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1 408835419 YRYPIKYAKQANTK-XDHOZWIPSA-N 497.378 6.525 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1C 408857454 OIHMOQDMZPNWDB-ZMFRSBBQSA-N 464.363 5.984 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OCc1ccc(Cl)cc1Cl 408872462 DTBWKQGPWPUWMJ-VYYCAZPPSA-N 473.356 5.744 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Cc1cccc(F)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408885163 XKAQYQRALQKJOW-LICLKQGHSA-N 459.735 6.922 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 408893928 HBJFOSLADZOOQK-OPEKNORGSA-N 478.719 5.898 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OCc1ccccc1 408900028 SJMNVBYFMUKUGQ-CPNJWEJPSA-N 467.352 6.517 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)c2C)cc1 408904627 MJCATAOTFXJXNG-QFEZKATASA-N 469.383 5.719 50 40 JKGB CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)Nc2cccc(Br)c2)c1C 408959679 DASQCBSKFJHQFX-QFEZKATASA-N 453.384 5.883 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2Cl)c1 408962863 KPZQCVCBCZENFN-XKJRVUDJSA-N 481.301 6.664 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1cccc(F)c1 408965818 IVPPAGKFYHUVOI-VFLNYLIXSA-N 469.875 5.231 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 409008800 IKFULXZSOBMSSO-UXHLAJHPSA-N 480.568 5.184 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OCC)c1OCc1ccc(F)cc1 409071934 SWIFSPZQUFHGFO-PXLXIMEGSA-N 474.507 6.217 50 40 JKGB COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 409129417 JOEVKSALMUMLLH-FLOSOGMCSA-N 469.006 5.867 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)o1 409159655 RQMLZTQHZAHIKU-DHRITJCHSA-N 476.316 5.779 50 40 JKGB Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)c2C)ccc1Br 409250588 RESCDXMVYHZDKO-GFHXCNCHSA-N 462.391 5.949 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1OCC 409315826 KRKBORKNEDASLE-MIXAMLLLSA-N 476.573 5.534 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 409374939 BWAUNCJFBDUOGB-PDGQHHTCSA-N 476.363 6.556 50 40 JKGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)n1 409379363 WKUFUJHXVAIQJA-VCHYOVAHSA-N 470.754 5.742 50 40 JKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c1C 409389909 AYCGTEAQVIAATO-UXHLAJHPSA-N 455.989 6.338 50 40 JKGB N#C/C(=C/Nc1cccc(Cl)c1Cl)c1nc(-c2ccc(Br)cc2)cs1 2282663 MBLPOGDUEARJPO-XFXZXTDPSA-N 451.176 6.856 50 40 JKGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1cccc2ccccc12 2324152 SLUIMCUZXBQQKM-WYMPLXKRSA-N 485.059 5.879 50 40 JKGB N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 2401548 GKWQMWSGDGNGHH-SCIJIFGBSA-N 479.483 5.169 50 40 JKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 3224281 ZYQJBPZBNADCLD-GHRIWEEISA-N 450.888 6.864 50 40 JKGB CCN(CC)c1ccc([C@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CC(C)(C)C3)cc1 3664805 ROVZURGXFCDGQN-VWLOTQADSA-N 485.588 5.382 50 40 JKGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 13174330 MJSDBAUXUSALCC-DEOSSOPVSA-N 478.017 5.703 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1OC(C)=O 13658387 XOHKZQHVAODBET-SXGWCWSVSA-N 455.333 5.571 50 40 JKGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 14134472 QBKWJUAESGUHDD-MUFRIFMGSA-N 463.364 6.418 50 40 JKGB C[C@H]1CCCC/C1=N\NC(=O)CNc1c(Br)cc(Br)cc1Br 15134418 FTAQWWPURJUZRF-PQHMUEMWSA-N 496.041 5.068 50 40 JKGB Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)CSc3ccccc3)c2C)c1 20243688 CQQNSXMZICOOQA-DHRITJCHSA-N 470.436 5.716 50 40 JKGB N#CC1=C2SCN(C3CCCCC3)CN2C(=O)C[C@H]1c1cccc(OCc2ccccc2)c1 20348301 YQWLAKUJKDHBGE-DEOSSOPVSA-N 459.615 5.613 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1OC(=O)c1cccs1 21193667 UOVTXCCETDKDTM-RVDMUPIBSA-N 472.444 5.540 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1C 33616860 ODMPRIMIIBMGMQ-UNOMPAQXSA-N 477.923 5.659 50 40 JKGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Cl 33694252 MEJKEEGBJDLLMM-UYRXBGFRSA-N 475.932 5.220 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])cc2Cl)cc1 33715115 DKQFBWJMMVOREE-ZMFRSBBQSA-N 472.328 5.482 50 40 JKGB Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c(C)c1 33784129 LKZMMUMOJHIRME-STZFKDTASA-N 489.369 6.139 50 40 JKGB CCOc1cc(/C=N\NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 36245417 QVNJRUHQCIVISJ-JUBNOACJSA-N 470.613 6.216 50 40 JKGB CCOc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)ccc1OCc1ccccc1F 41120598 YNDPFAZTVMBJML-CPNJWEJPSA-N 473.529 6.608 50 40 JKGB Cc1ccc(OCCCn2cc(/C=C(C#N)/C(O)=N/c3nc4ccccc4s3)c3ccccc32)cc1 41120724 NMEZWHOREGXQPH-HEHNFIMWSA-N 492.604 7.224 50 40 JKGB CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Cl)c(Cl)c4)c32)cc1 57375089 DUDIVKAIPHJNIM-LJQANCHMSA-N 454.361 5.448 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 59224716 RFWTZDDTZOEKGB-DEDYPNTBSA-N 474.391 7.104 50 40 JKGB O=C(Nc1ccc(SSc2ccc(NC(=O)OCCCl)cc2)cc1)OCCCl 103544477 WCTATVIYJRGBCO-UHFFFAOYSA-N 461.392 6.061 50 40 JKGB O=C1c2ccccc2O[C@@H](c2ccccc2)[C@]1(Br)[C@@H](Br)c1ccccc1 169797313 ONSKQBKXYIPURM-BVSLBCMMSA-N 472.176 6.273 50 40 JKGB Cc1cc(/C=C(\C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(I)cc1 408565825 AWLUZGXTTKUWNP-MHWRWJLKSA-N 482.300 5.778 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 408567780 GLKVRNMONOKGPG-ROTLSHHCSA-N 493.437 6.261 50 40 JKGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccccc1Cl 408609833 LRYCFRIBTHBIJF-MUFRIFMGSA-N 493.991 5.141 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1OCc1ccc(F)cc1 408772279 NOIXJVBDGOHAKB-BKUYFWCQSA-N 460.505 5.746 50 40 JKGB CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1OCC 408777362 YAAUSPOHIKIQNW-ATVHPVEESA-N 472.383 5.248 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)c1 408785237 VFXUHWHPGKTYDU-STZFKDTASA-N 487.386 7.580 50 40 JKGB O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Cl)cc(Cl)c1O 408842496 OERAIZNTDBLFLM-ZNLRHDTNSA-N 489.306 5.611 50 40 JKGB Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)cc1 408849301 ZKLCLFZBXAOSHV-AJBULDERSA-N 491.547 5.159 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)cc3Cl)c(C)c2)cc1 408855243 DTSGCJHFTWUCGT-UDWIEESQSA-N 481.379 6.744 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2cccc(F)c2)cc1 408876108 MWXYGBRGBPLSQB-KGENOOAVSA-N 462.908 5.792 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c1OCc1ccccc1Cl 408884184 WEEWWACHVPWYOV-SFQUDFHCSA-N 487.770 6.780 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1Br 408890364 RWNHQBATZHPXEM-CPNJWEJPSA-N 495.348 6.112 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408892400 ZFGXLFSBBGKQPD-NTUHNPAUSA-N 472.240 5.405 50 40 JKGB CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)ccc1OCc1cccc(C)c1 408911741 OGKJTUZDLYJSQB-NDZAJKAJSA-N 474.601 5.763 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OS(=O)(=O)c1ccccc1 409063931 FFLLBHJKGLITGX-LFIBNONCSA-N 465.918 5.057 50 40 JKGB CN1C(N)=C(C#N)[C@H](c2cc(Br)ccc2OCc2ccc(Cl)cc2)C2=C1CCCC2=O 409138141 ZCEQXVADBPBVIK-QFIPXVFZSA-N 498.808 5.411 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3c(Br)c(C)n(-c4ccccc4)c3C)cc2c1 409189669 MQJQKAHSKFUZSQ-WGARJPEWSA-N 480.362 5.765 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 409203743 XSGFRRFYGOTKFN-YVLHZVERSA-N 481.867 5.478 50 40 JKGB COc1cccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)c1 409267713 XFWFXFUDYGRGKD-WKIKZPBSSA-N 486.355 5.092 50 40 JKGB N#C/C(=C\c1ccc(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)o1)C(=O)Nc1ccccc1 409273806 SYASQNOVDZSHKS-GHRIWEEISA-N 492.482 6.452 50 40 JKGB CCOc1ccc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409309381 GJJKABZNLIPCHW-WOJBJXKFSA-N 491.396 5.063 50 40 JKGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1OC 409321964 KBLVYLCUZWMHKU-MWLSYYOVSA-N 474.944 5.853 50 40 JKGB COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1OC 409323896 RNOLEABZFALEEV-PPDIBHTLSA-N 493.774 6.007 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)cc1 2420051 LBYIFURSARXLHO-RCCKNPSSSA-N 464.525 5.266 50 40 JKGB CCCCOc1cccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1 2671116 BVQNARTWSIVUOT-YBFXNURJSA-N 485.531 6.477 50 40 JKGB CC(C)c1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)=C2C#N)cc1 9373810 VNHJYGNUVVKTQN-VWLOTQADSA-N 497.620 6.313 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1Cl 9660051 NUWLUQMMXJOZBB-WOJGMQOQSA-N 467.308 5.816 50 40 JKGB CCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 17286287 OJUSHGPRPSGMBQ-GHRIWEEISA-N 491.956 6.113 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl 28217275 XFLMXKVIQGNVMA-OPEKNORGSA-N 450.753 5.583 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OC(C)C 28615350 SZGKCKOTKHCLIG-PXNMLYILSA-N 477.786 6.143 50 40 JKGB COc1ccc(CC(=O)N/N=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 30902191 SUHHDCZHBWHFNG-MUXKCCDJSA-N 466.368 5.698 50 40 JKGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)cc1 33858371 DHHQZMVYUHHTBV-PDGQHHTCSA-N 463.877 5.381 50 40 JKGB O=C(COc1ccc(/C=N\NC(=O)c2cccc(-n3cccc3)c2)cc1Cl)Nc1ccccc1F 34689941 RZPBLWKYONLIFI-MWLSYYOVSA-N 490.922 5.051 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 59485134 GFRIAHIXELXDJE-NDENLUEZSA-N 468.778 7.144 50 40 JKGB O=C1c2ccccc2O[C@@]1(Cc1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1 95676836 FNGOTLYBXAOKFS-MGBGTMOVSA-N 499.550 6.378 50 40 JKGB Cc1cccc(NC(=O)[C@]23CC[C@@](C(Br)Br)([C@@H]2Br)C3(C)C)n1 100868548 SQFGIESILRVDDD-UVBJJODRSA-N 495.053 5.014 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OC 408539313 VIZLRYDAZOJVTN-XMHGGMMESA-N 458.961 6.773 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(I)c1OCC 408569554 OOQUAGUVDZDXPG-QPEQYQDCSA-N 477.277 5.168 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 408581225 VFRMOBBDTJYNJH-LICLKQGHSA-N 455.297 6.553 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc(Cl)c(Cl)c1 408587855 VDBDXGPVTIFXSQ-ZDLGFXPLSA-N 459.170 7.399 50 40 JKGB O=C(NNc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408606500 MDIOOHHHYHOGJD-INIZCTEOSA-N 488.346 5.208 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2-c2ccc3ccccc3c2)cc1 408723967 BGVQZGNCHSGOLV-KBVAKVRCSA-N 499.401 7.072 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408756591 WNPMXFPNYSXEGS-ATVHPVEESA-N 487.364 5.615 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc3ccccc3c2)cc1 408788976 GVBUOHQTDMIRQQ-BUVRLJJBSA-N 497.392 7.035 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2)ccc2ccccc12 408808125 DSUDGRDDECZYMF-PXLXIMEGSA-N 452.941 6.926 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1 408814564 PRQNTAZZBOHTPE-RGVLZGJSSA-N 462.933 5.796 50 40 JKGB O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc(Cl)cc1Cl 408841768 LCXAUBZUZKMSLR-YCPBAFNGSA-N 473.307 5.905 50 40 JKGB COc1ccccc1/C=C(\C#N)C(=O)Nc1c(Br)cc(C)cc1Br 408878595 CDCYOAIZSVUKSK-UKTHLTGXSA-N 450.130 5.074 50 40 JKGB COc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1OCc1cccc2ccccc12 408887971 VQMNWWOHIVFDGM-MUFRIFMGSA-N 474.944 5.610 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1OS(=O)(=O)c1ccc(C)cc1 408891476 RDEZRCCNURKIKT-CJLVFECKSA-N 490.581 5.270 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OCc2cc(C)cc(C)c2)c1 408898205 VRZQKCSELQYPQI-CIAFOILYSA-N 480.486 6.456 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1O[C@H](C)CC 409037163 SHNRKWNICLMCKA-TWCQISOYSA-N 467.569 6.242 50 40 JKGB N#C/C(=C\c1cn(CCOc2ccc(Cl)cc2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 409206157 HXZGOZRDQVCOSR-XSFVSMFZSA-N 499.954 5.326 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2Cl)cc1 409227686 ZTADZIZCNIBNQN-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(OC)c1OCc1ccc(Br)cc1 409371683 JPRUZVSAOFHNNA-KGENOOAVSA-N 481.390 5.295 50 40 JKGB O=C(Cc1ccc([N+](=O)[O-])cc1)NNC1=C(C(=O)C(F)(F)F)CCCCCCCCCC1 1084214061 XMDCDMWULXTTCB-UHFFFAOYSA-N 455.477 5.058 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCc1ccccc1Cl 1306579 QHOVBRHRSUHXIE-AREMUKBSSA-N 498.970 5.640 50 40 JKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1 2198133 AJZFINKTLVBWKB-GHRIWEEISA-N 479.612 5.352 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2321501 IKFYEXXIPNLNKR-OWJYGESUSA-N 489.984 5.414 50 40 JKGB CSCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Oc1ccc([N+](=O)[O-])cc1 2391042 UAAQHWWCPKRGKF-DEOSSOPVSA-N 492.553 5.161 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccc2ccccc2n1 3371828 GWRAEVHNILYFAC-UZWMFBFFSA-N 487.559 6.157 50 40 JKGB CC[C@@H](C)c1ccc(OCCOc2cccc(/C=N/NC(=O)CSc3nnc(C)s3)c2)cc1 8861570 JGAMMCDALPTGOR-SCELWYEFSA-N 484.647 5.060 50 40 JKGB CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 12137578 JNEXJARTTOUFCG-VWLOTQADSA-N 487.600 5.163 50 40 JKGB C#Cc1ccccc1COc1c(Cl)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1OC 12363677 LUJKLJCDWOXBQY-RWPZCVJISA-N 458.901 5.419 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCc1ccc(Cl)cc1Cl 12630040 HFEYFHNMKPGYNM-RQZCQDPDSA-N 457.313 5.397 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c(C)c1 16438671 PYYCLBWSWSBJMM-XNTDXEJSSA-N 466.291 5.780 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc3ccccc23)=C(C#N)[C@@H]1c1ccco1 20348596 HIDRWIGCPJUSOB-RUZDIDTESA-N 485.565 5.230 50 40 JKGB N#C/C(=C/c1c[nH]c2ccccc12)C(=O)Nc1ccc(NC(=O)/C(C#N)=C\c2c[nH]c3ccccc23)cc1 33143518 KJKCNNVQLARWAE-AXPXABNXSA-N 496.530 5.741 50 40 JKGB CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2csc(N(C(C)=O)c3ccccc3)n2)c1C 40158973 OMQHNPZLOFKWJA-BKUYFWCQSA-N 462.575 5.306 50 40 JKGB N#CC(=C\c1ccc(OCCOCCOc2ccccc2)cc1)/C(O)=N/c1nc2ccccc2s1 41120636 CXPSOJFHRTUYDG-DYTRJAOYSA-N 485.565 5.966 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3F)c2C)cc1 59335470 ANDDWAZOCRZVOD-WQRHYEAKSA-N 452.327 5.850 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(Cl)c(Cl)c1 59534398 GFBDXWNUIRFYLI-RQZCQDPDSA-N 473.381 5.866 50 40 JKGB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H]5CC[C@H]4[C@@]3(CO5)C(=O)[C@H](Br)[C@@]12C 263596568 FUKGALSZILDDJS-YLWZYONYSA-N 481.471 5.166 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccccc1C#N 408752205 CDLSJVRYARPQBI-JAIQZWGSSA-N 488.341 5.454 50 40 JKGB Cc1ccc2ccccc2c1COc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C 408808464 JAUZSQCADUSSNV-XQNSMLJCSA-N 466.968 7.235 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 408817779 WTCYGPPRHMQGLY-XDHOZWIPSA-N 481.335 5.905 50 40 JKGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)C(=O)Nc1cccc(Cl)c1Cl 408848869 WQQDFUQQVFMQOX-POHAHGRESA-N 497.121 7.014 50 40 JKGB COc1cccc(CC(=O)N/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 408856917 MGYROTKBSPATCQ-FMCGGJTJSA-N 479.783 5.548 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1cccc2ccccc12 408878450 BIXNIBDVCVQLET-HKOYGPOVSA-N 498.538 6.766 50 40 JKGB CC(C)COc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c2ccccc12 408980647 RXYYHHNCHJZELG-AWLRXGSOSA-N 493.607 5.886 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1cc(OC)ccc1OC 408983463 BXSNARXKNJWHAU-XSFVSMFZSA-N 458.514 5.227 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2F)c(Br)c1)c1ccccc1 409240930 VNKDQBLCBAVSPX-OJSPLJLUSA-N 479.349 5.952 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)cc2C)cc1 409261468 CGRUMAWPUANIGZ-BKUYFWCQSA-N 473.960 5.828 50 40 JKGB N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 1767394 YHCUCOJYVPOSLO-FOWTUZBSSA-N 480.376 6.846 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccccc1Cl 1830918 MDXSQEDMATYRCP-VULFUBBASA-N 488.444 6.000 50 40 JKGB N#C/C(=C\c1cccc2ccccc12)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 8387325 TUOZPVDAKVGPJJ-KGENOOAVSA-N 456.526 7.287 50 40 JKGB CN(NC(=O)Nc1ccc(Cl)cc1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 8763352 OIGSRLURABXUMH-UHFFFAOYSA-N 463.769 5.494 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(Br)cc1 8843016 HQANSTLWCFBKCZ-ZHZULCJRSA-N 483.406 5.783 50 40 JKGB CCCOc1c(I)cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC 9187452 SGEJFVMUKCWMAO-CXUHLZMHSA-N 487.341 5.646 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1 9375230 SORDCPAWFOPJLX-MZJWZYIUSA-N 465.340 5.726 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccccc1 12466856 QEQGUAHMJYJKQO-JLPGSUDCSA-N 464.641 5.616 50 40 JKGB O=C(N/N=C(/c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1)c1cc2ccccc2[nH]1 13940722 NLWDVJFWVQCWKP-QXPFVDMISA-N 475.392 6.388 50 40 JKGB CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc3ccccc3c2)cc1 15135068 ZLFVIOOBLMGABJ-AQCLZOLYSA-N 490.607 5.607 50 40 JKGB C=CCOc1c(I)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OCC 33599672 ZBSHXXQTNCTFKY-SXGWCWSVSA-N 476.270 5.227 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C)c1 33606925 RVIRDMUMQXAHSD-ODLFYWEKSA-N 482.367 6.123 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(OCC)c1OCc1ccc(Cl)cc1 33635250 YIZUOMIZXMRUST-HAHDFKILSA-N 483.999 7.295 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 33636834 PVYHSOGJRCUUCR-AMVVHIIESA-N 497.353 6.637 50 40 JKGB C/C(=N/NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1ccc([N+](=O)[O-])cc1 33757722 LHAXNHAQUSXWMJ-MYYYXRDXSA-N 462.556 5.651 50 40 JKGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1 33785452 TVPHGNAUTSOPTL-MZJWZYIUSA-N 489.373 5.174 50 40 JKGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 34848907 UOSCQQFFEXRNIJ-ZMOGYAJESA-N 467.959 6.378 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)ccc5c4C)ccc32)cc1OC 38688608 KWCJRXJESPOVHA-SANMLTNESA-N 496.519 5.504 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 59336138 WWLPFCYLTQQTFV-ATVHPVEESA-N 457.744 6.771 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)ccc1OCc1cccc2ccccc12 59447425 PXUPILMLRATQKY-RDRPBHBLSA-N 454.526 5.590 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1cc(Cl)cc(Cl)c1O 102335753 DKUPSEMGXDNRDZ-DBFSUHOCSA-N 484.770 6.722 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)c1ccc2ccccc2c1 408549180 QJVSFEMFJADIRU-JJFYIABZSA-N 492.775 8.038 50 40 JKGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)c2C)cc1 408568509 JZXBWGRMNXIJHA-CVKSISIWSA-N 481.643 5.110 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl 408608579 HTBOQSVZQJQEPL-RPPGKUMJSA-N 476.747 5.315 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1 408745184 PYBYVSFCXWWPBM-ZDLGFXPLSA-N 482.323 6.335 50 40 JKGB N#C/C(=C/c1ccc2c3c(cccc13)CC2)C(=O)Nc1ccccc1I 408756502 VTVRDNMFJFHKNV-ATVHPVEESA-N 450.279 5.089 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 408775248 OUJVXZNKNBUKOB-UUASQNMZSA-N 498.204 5.775 50 40 JKGB Cc1cc(-n2c(C)cc(/C=N\NC(=O)Nc3ccccc3)c2C)ccc1I 408782561 KEWNVQUPXPBGHX-QRVIBDJDSA-N 472.330 5.163 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)ccc1O 408840811 BRVUFXXBDWHDIL-UVHMKAGCSA-N 493.972 5.594 50 40 JKGB Cc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc(C)c1OCc1ccc(F)cc1 408850601 PCGRNFFLQVVJES-LGJNPRDNSA-N 467.522 5.172 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408851337 XWGCONAWNSNLHH-VYYCAZPPSA-N 493.903 5.736 50 40 JKGB O=C(N/N=C\c1ccc(OCc2cccc(F)c2)c(Br)c1)c1cc2ccccc2o1 408854870 AOMNTBWPEPYMTM-ZMFRSBBQSA-N 467.294 5.677 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1Cc1cccc(F)c1 408880190 DVOMJWJFGQEJPA-RGVLZGJSSA-N 493.376 6.432 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1 408881747 OIPCBVGPBVYTJI-JVWAILMASA-N 459.343 5.945 50 40 JKGB Cc1cc(NC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)ccc1Br 408904557 LJXQUXOHCCYNIR-SSDVNMTOSA-N 477.156 5.936 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OCc1ccc(F)cc1 408985152 AAAPTHUMDPVDSX-HYARGMPZSA-N 490.962 6.649 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1cc(-c2ccccc2)nc2ccccc12 409046964 LRMJIRMTGHBRDT-MZFJOGFUSA-N 491.978 6.898 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(C(=O)OC)cc4C)c3C)cc2c1 409189423 KZXABNOLZSUMRH-MBTHVWNTSA-N 473.529 5.098 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1 409216243 GNTMHHQYVWRLMG-RPPGKUMJSA-N 489.380 5.513 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(-c2ccccc2)cc1 409231828 MRQRVVGJRFKJGM-XHLNEMQHSA-N 459.593 6.417 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)cc2)cc1OCC 409326476 KOGWXFIYPCUVJX-FSGOGVSDSA-N 468.553 5.980 50 40 JKGB Cc1cc(C)c([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)c1COc1ccc(F)cc1 647869 IDOAFOKWRWFTTR-YIXXDRMTSA-N 466.560 5.924 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)cc(OC)c1OC 1060616 ZAPKEVJVMDHBKV-JOCHJYFZSA-N 499.489 5.036 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3)c2C)cc1 1095320 JQLLZFTXJRYEJL-STBIYBPSSA-N 468.557 5.052 50 40 JKGB CC(C)c1ccc(C(=O)[C@@H](Br)[C@H](Br)c2ccccc2)c(C(C)C)c1 1671994 SZMRSEVTGQLZEF-UXHICEINSA-N 452.230 7.016 50 40 JKGB O=C(NNc1nc2c(c(=O)n1-c1ccccc1)C1(CCCCC1)Cc1ccccc1-2)c1ccccc1 2275578 RXODJCUULXVTQJ-UHFFFAOYSA-N 476.580 5.414 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 2670910 XSGHZOOPWXBCIW-KGENOOAVSA-N 495.991 7.346 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(C)cc1 4196417 YLWCAIMQYDREBV-UDWIEESQSA-N 477.358 5.891 50 40 JKGB COc1cc(-c2cc(C(=O)N/N=C/c3c(C)[nH]c4ccccc34)[nH]n2)ccc1OCc1ccc(C)cc1 9375255 BCFHEILCQBDRIH-OKCVXOCRSA-N 493.567 5.526 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)sc(C)c1C 9463935 DHXGGKRPNVJKLM-WJDWOHSUSA-N 469.588 5.659 50 40 JKGB Cc1cccc(OCCCOc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2Cl)c1 13896991 IKMCPZOLOZAAPB-XSFVSMFZSA-N 450.922 5.313 50 40 JKGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cn(Cc2cccc3ccccc23)c2ccccc12 33704859 SLJMEOYNLRUEKD-RHANQZHGSA-N 462.509 5.444 50 40 JKGB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl 35191618 SCRSBUQUXRIKQQ-YBEGLDIGSA-N 471.365 6.444 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 59513190 PLQQJXLMEIMYEI-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB N#C/C(=C\Nc1ccc(F)c(F)c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 90427218 JHUVABYACRCXJK-FMIVXFBMSA-N 486.297 5.934 50 40 JKGB COc1ccc(OC)c([C@H](Nc2ccc3cn[nH]c3c2)P(=O)(c2ccccc2)c2ccccc2)c1 104168684 LJIDMZNNGZTUTN-MUUNZHRXSA-N 483.508 5.705 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)c(C)c1 216049135 DTJDJQMXINPBPO-RWPZCVJISA-N 474.402 5.762 50 40 JKGB CCCCCCCCOc1ccc(Br)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1 408538778 BQNXBRKRZRYEDZ-HMMYKYKNSA-N 457.368 7.161 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccc2ccccc2c1 408567972 HHAYVORRKSUUDH-NHDPSOOVSA-N 483.930 7.160 50 40 JKGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Cl 408570680 XOGSRVHVALNDCG-GMJSKMFWSA-N 465.040 5.525 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 408725233 ITNBMYWIJVYTNC-PDGQHHTCSA-N 453.325 6.127 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)c(Br)c([N+](=O)[O-])c3)o2)c1 408743467 GABXDFBVDAMOBO-ZSOIEALJSA-N 486.709 6.125 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 408745106 JTVMNHMESFYBLW-ZDLGFXPLSA-N 466.896 5.621 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1C#N 408787579 CATRQTSRQGJTDN-WSDLNYQXSA-N 471.944 6.043 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1 408791710 BFIHKINXBJCMKT-YBFXNURJSA-N 477.904 5.772 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 408793641 FYOLYJATNYPUTF-KGENOOAVSA-N 491.385 6.281 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 408812419 ORGQWQKDTAOQRN-XDHOZWIPSA-N 473.400 6.327 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1cccc2ccccc12 408818418 PSBWKSLFXPPHQD-BKUYFWCQSA-N 486.930 6.766 50 40 JKGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 408848994 XPPPRDPYRXCUDP-KSEXSDGBSA-N 463.715 5.186 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)Nc1ccc(F)cc1 408850003 COPUGRNBRGDBKH-GZTJUZNOSA-N 496.292 5.621 50 40 JKGB N#C/C(=C\c1c(Cc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 408865023 AERCGBCRJKNQEI-LTGZKZEYSA-N 457.360 7.283 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1c(Cl)cccc1Cl 408887540 PCVWNYFHVGAEPJ-MHWRWJLKSA-N 492.189 7.425 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OC(=O)c1ccccc1 408895570 LFWNSARJNUXRDT-QGOAFFKASA-N 477.314 5.223 50 40 JKGB Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1 408898456 LMHPKNQRTXXSAW-YZSQISJMSA-N 460.577 7.198 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409076300 AMCZIMOHBGCVRZ-WOJGMQOQSA-N 497.429 5.638 50 40 JKGB CN1C(N)=C(C#N)[C@H](c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C2=C1CCCC2=O 409144021 NUQLRXJZQIPUPA-NRFANRHFSA-N 472.347 5.441 50 40 JKGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 409144953 HHSDSXANXHBAQS-FCLYZYNOSA-N 460.430 6.340 50 40 JKGB N#C/C(=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 409206436 JNJMSAVRUCJRGP-BUVRLJJBSA-N 485.543 5.795 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCCC)c(OCC)c2)cc1OCC 409314258 FNECFPIWPDJVBA-QQXSKIMKSA-N 460.958 5.255 50 40 JKGB COc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)[nH]c12 409395819 SCMVVPUEBQUBMA-UHFFFAOYSA-N 489.531 5.827 50 40 JKGB Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)c1COc1ccc(F)cc1 647860 JUJSASWECMKFLD-VWLOTQADSA-N 460.549 5.781 50 40 JKGB COc1cccc(OC)c1OCc1cc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)cc1C 651004 GJHJTVOQFVWSJP-WXVAWEFUSA-N 494.595 5.493 50 40 JKGB CCCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 1773145 HDJBJJKAOVWXKG-CAPFRKAQSA-N 473.485 5.747 50 40 JKGB O=C(N/N=c1\oc2ccc3ccccc3c2cc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1 3026170 KXTWJJXILNONDF-BXVZCJGGSA-N 492.516 6.017 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(F)cc1 4196154 LTEZESWWXBFRMS-PDGQHHTCSA-N 451.295 5.713 50 40 JKGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)c(OC)c1 9140055 KVBNJFNIWGLXGF-WOJGMQOQSA-N 493.903 5.390 50 40 JKGB N#C/C(=C\Nc1ccccc1I)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 9271762 DMFQLQYHUIOUBS-JLHYYAGUSA-N 474.283 5.299 50 40 JKGB N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@@H]1c1cccc(OCc2ccccc2)c1 9693516 BXHJICDUVCBLER-XMMPIXPASA-N 453.567 5.485 50 40 JKGB COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccccc5)cc4)CC(=O)N3C2)cc1 9693547 RJSFSAQALVTIJK-RUZDIDTESA-N 483.593 5.494 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1Oc1nc(Cl)ncc1F 16284902 PPDLBYOFRVVHAV-SXGWCWSVSA-N 452.873 5.233 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3ccc(Cl)cc3Cl)n2-c2ccccc2)cc1 19800141 CBKWBAYHPRNWRV-VYYCAZPPSA-N 496.423 5.792 50 40 JKGB CCCCCCOc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2)cc1Br 33541805 PSJZENYSTHLTNR-IWIPYMOSSA-N 496.243 5.864 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)c(C)c1 59201809 MWHMBSWPHLQMDA-UDWIEESQSA-N 495.804 6.844 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)Nc1cccc(Cl)c1Cl 59335928 WBOZHRVOZPIYTH-XYOKQWHBSA-N 461.688 6.151 50 40 JKGB O=C1O[C@H]2[C@@H]3C[C@@H]([C@H]2Br)[C@H](C(=O)Nc2ccc(Oc4cccc5ccccc45)cc2)[C@@H]13 101052588 ZUSLMGRVOGXUNI-HWJYPWFTSA-N 478.342 5.142 50 40 JKGB O=C(N/C(=C\F)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl 106992075 YYKGGKMSRVFZIU-CAPFRKAQSA-O 467.715 5.235 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c1 107847168 GBABLDMSTQKZOZ-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)o2)cc1 408570854 ZJTZMWMUGXQFJV-CVKSISIWSA-N 496.610 5.131 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 408599262 RDWVYXTUJNYHJU-JVWAILMASA-N 483.484 5.341 50 40 JKGB COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3cccc(C)c3)n2)c1 408724090 FALMGCPFGXFXDZ-ZCTHSVRISA-N 490.563 5.782 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1cccc2ccccc12 408764668 YAYGBIRJOIWWLB-UZWMFBFFSA-N 474.560 6.735 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1ccc2ccccc2c1 408764791 YHAWBUMHKBRVCU-JVWAILMASA-N 459.343 5.945 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(C)c(C)c1 408808000 LZGPMHIWLRDFPU-HYARGMPZSA-N 460.961 6.480 50 40 JKGB O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1cc(Br)c(O)c(Br)c1 408849885 AGVFUSKOFLXHIH-LSHDLFTRSA-N 497.574 5.125 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc2c(c1)OCO2 408852939 XLJWEJYVORRNDB-PPDIBHTLSA-N 478.888 5.166 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1OCc1cccc(Cl)c1 408863963 VVUMTEGUTDNHGH-VULFUBBASA-N 467.909 5.298 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1Cc1ccccc1Br 408866084 FOOHUSBCTPQYCP-XDHOZWIPSA-N 465.322 5.733 50 40 JKGB Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1 408874521 DAODXMAVFDFZJO-JJIBRWJFSA-N 450.969 7.247 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1cccc(F)c1 408890592 WDJMFJOKEDGEMQ-RPPGKUMJSA-N 461.276 5.124 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)ccc1Br 408904210 GLYANMVFCCTXJJ-MXAYSNPKSA-N 482.334 5.190 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccc2ccccc2c1 408905124 UAEUVMMEFUCGST-MWLSYYOVSA-N 495.491 5.846 50 40 JKGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1 408968598 XSKVQWYFDBIHGM-ZCTHSVRISA-N 466.629 6.563 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1)c1ccc([N+](=O)[O-])cc1 409069823 AOEQPPLTMVRTBT-GIJQJNRQSA-N 469.280 6.243 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Cl)c1OCc1ccccc1Cl 409095643 IEGSTTGFKRTEKG-QHCPKHFHSA-N 497.334 5.528 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(OCC)cc3Br)cc2c1 409189065 ICHGQLJGWBTVHN-CFRMEGHHSA-N 475.339 5.155 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1OCC 409309190 CSGGARZAKFYRRE-NTFVMDSBSA-N 466.965 5.789 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Br)c1OC 409368666 GXYAFCXSRXSAIE-ZSOIEALJSA-N 484.131 5.525 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(c1ccccc1)c1ccccc1 409390967 GKWYGAZRIAVNHL-JVWAILMASA-N 459.889 5.790 50 40 JKGB Cc1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)c(-c3ccccc3Cl)c2c1 409397901 PHFDZSYOMKNSHR-UHFFFAOYSA-N 497.938 6.373 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(SCc3ccc(C)cc3)NC3=C2C(=O)CCC3)cc(OC)c1OC 1269683 QZXFYOJCDKCBQW-XMMPIXPASA-N 476.598 5.383 50 40 JKGB COc1cc(/C=C(\C#N)c2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1 4196335 KPEYDEWFGNHARV-YBFXNURJSA-N 454.751 6.754 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OCc1cccc(Cl)c1 8812553 IMFLEEDOKWFJPS-DHRITJCHSA-N 473.754 5.454 50 40 JKGB N=C(COc1ccc(Cl)cc1)NNC(=O)c1sccc1OCc1cccc(C(F)(F)F)c1 8873258 FSDISMWITRFKJC-UHFFFAOYSA-N 483.899 5.290 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 9203402 LYQMTOLRBVLEHF-ZVHZXABRSA-N 465.376 5.056 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c(C)n1-c1cccc(Br)c1 9203561 QQAMNGCDWNYCAM-ZMOGYAJESA-N 489.211 5.312 50 40 JKGB CCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)cc1 13037746 MPEMADMVOAHQHK-CAPFRKAQSA-N 496.617 6.007 50 40 JKGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 15018632 YPFCARSKMKMYAN-KBVAKVRCSA-N 495.966 5.537 50 40 JKGB CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3ccc(Cl)cc3Cl)ccc21 16162866 MVKFNRXUENKTMS-WKULSOCRSA-N 481.383 6.256 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccccc1Br 20760477 AQWJJMSZNXBJOS-FSJBWODESA-N 475.184 5.383 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1 33489822 MWIGOKHAZQPISW-XODNFHPESA-N 482.367 5.778 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1cccc2ccccc12 33595618 ASKCUZGVPPENCL-BKUYFWCQSA-N 488.356 7.393 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1cccc(F)c1 33738968 ZDNXBIISQKLFKY-JAIQZWGSSA-N 496.332 6.328 50 40 JKGB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](I)CC[C@]4(C)[C@H]3CC[C@@]21C 118912409 PMVJGSYGUZXDAR-QGCYDVEPSA-N 496.561 8.831 50 40 JKGB CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2cccc3ccccc23)cc1OCC 408540581 UEPPJRHOYHATEJ-VEILYXNESA-N 497.433 6.724 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1 408608591 HTRDRYYMFOOPAZ-KKMKTNMSSA-N 474.319 5.109 50 40 JKGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408608661 ICGVRPSVBCAFEP-WKULSOCRSA-N 498.410 5.786 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc(Br)c1O 408741549 QODZNMNSJXPQPW-BRJLIKDPSA-N 490.785 5.378 50 40 JKGB N#C/C(=C\c1cc(Br)cc(Cl)c1O)C(=O)Nc1ccc(Br)cc1 408746446 ZGFAAOIWMBYLRE-BJMVGYQFSA-N 456.521 5.116 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc(Cl)cc1 408812394 MYHSQXKFXKWYMP-LQNQUEJISA-N 488.971 6.556 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1ccc(Br)cc1 408819538 XPPDGKVMINFXDJ-FZVPUQAXSA-N 483.406 5.639 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cc5c(cc4Cl)OCO5)cc3)cs2)cc1 408848253 VELZSCAHXCWNRO-KKMKTNMSSA-N 490.972 6.008 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Cl)c1OCc1ccccc1 408893062 DZLNLZBGCSIIEH-LICLKQGHSA-N 487.770 6.780 50 40 JKGB CCOc1ccc2ccc(OCC)c(/C=N\NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2c1 409006693 KDYZTZQMPJXPGA-MNBJERMJSA-N 493.563 5.256 50 40 JKGB CCCCOc1ccc2ccccc2c1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 409009775 BWCHVUDDGDQHOE-MWAVMZGNSA-N 452.554 5.405 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 409109342 BYRLSVCAFXLMNO-MSXFZWOLSA-N 476.341 5.582 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)c1C 409225686 QZFUCRKOFBKWHJ-XDHOZWIPSA-N 494.378 6.173 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409240290 GGWWOZDLMGASDK-PKIWBCANSA-N 489.959 5.150 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)cc2)cc1OC 409316775 NAZGQSPWGLAVIS-FSGOGVSDSA-N 466.537 5.756 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(F)c2)cc1OC 409337365 YAXHYWLOKBLNJV-VYYCAZPPSA-N 456.901 5.229 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccccc1 409359696 BTCPWVNKSZGBJJ-ZDLGFXPLSA-N 459.170 7.399 50 40 JKGB Cc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)c(C)n1-c1cccc(Cl)c1Cl 1099987 DMKGAKSYUPASQF-VFLNYLIXSA-N 491.378 5.665 50 40 JKGB CCOC(=O)c1c(CBr)n(-c2ccccc2)c2cc(Br)c(OC)cc12 1103273 FEMNOJCHRDYYPQ-UHFFFAOYSA-N 467.157 5.473 50 40 JKGB CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1 2200318 ITWOAPFWNJERLM-PLRJNAJWSA-N 496.636 6.438 50 40 JKGB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccccc1OC(C)C 2670148 FWTPQQDEUAQERC-XSFVSMFZSA-N 490.581 5.933 50 40 JKGB COc1cccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)c1 13583885 VKMZAYHCJQKMCF-RRAHZORUSA-N 485.613 5.192 50 40 JKGB C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)cc1 16035646 BCNCFLSSDVWFDV-JIRVEERFSA-N 469.585 5.286 50 40 JKGB CCOc1ccc([C@@H]2C(C#N)=C3Sc4ccccc4N3C(N)=C2c2nc3ccccc3s2)cc1 16739764 SIHLRKMBHJWWJM-HSZRJFAPSA-N 480.618 6.467 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)cc1 20765046 NNKKYIGNEBOVTH-LQKURTRISA-N 490.401 5.923 50 40 JKGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c1 28215949 MRSYZJVVOTUSJV-KKMKTNMSSA-N 474.457 6.401 50 40 JKGB CC(C)Oc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Br 33733324 FFDYFZAASODJQD-UFFVCSGVSA-N 462.325 5.123 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)c1ccc2ccccc2c1 34761949 BXZWUVMHPPDFLV-FMCGGJTJSA-N 458.330 7.385 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 59266493 XVWPWJXXMPSJAM-LICLKQGHSA-N 468.296 6.026 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1ccccc1O 95483841 DEWKKPIYLQFFBI-QQXSKIMKSA-N 484.025 5.442 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 108932345 SFYUEVJATNWNEQ-OKCVXOCRSA-N 488.971 6.162 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)cc1 408541794 HTARNHABGLDNLY-KQWNVCNZSA-N 463.537 5.584 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)c3ccc(Br)cc3)cc2Br)cc1 408581082 UGDXIKDJTDONCS-UDWIEESQSA-N 483.203 7.163 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3Br)cc2)c1 408755876 PTONNDOQQYHWBG-NBVRZTHBSA-N 491.341 5.613 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1cccc(Cl)c1Cl 408764832 SXXPLQVCSNKQEA-LFIBNONCSA-N 471.727 6.412 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(Br)c1 408765531 YFWFUCOMBUOQSQ-PDGQHHTCSA-N 467.750 6.227 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)cc1 408790580 WZTJKIKPXNSZDF-LPYMAVHISA-N 485.927 5.513 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 408791768 CCSMDJDIRFEKSY-DEDYPNTBSA-N 479.349 6.275 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408791851 DKCBUCPKOHQDIA-RGVLZGJSSA-N 491.931 5.998 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(OCc2cccc(Cl)c2)ccc2ccccc12 408800978 QSVKKVBUPAGCPO-KGENOOAVSA-N 487.386 7.580 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1 408804358 XWMJPCAFEGMDSC-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 408813774 VBKYLCVJHSUVCH-VCHYOVAHSA-N 482.323 6.335 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 408846426 JKLWAAJZFJEURD-UCMJSZAQSA-N 490.582 6.763 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(Cc2ccccc2Cl)ccc2ccccc12 408873575 SFNSRGWGMXMOIP-CJLVFECKSA-N 471.387 7.592 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(OC)c1OCc1ccccc1 409016889 LFZIRJQKVOYMRS-MWLSYYOVSA-N 474.944 6.166 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1OCc1ccc(C)cc1 409072765 DHKDNNMTLKXJLL-HZHRSRAPSA-N 456.517 5.996 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4)c(Cl)c3)cc2c1 409184738 MKNKKEULZBHFEI-MUXKCCDJSA-N 483.351 6.481 50 40 JKGB O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1cccc2ccccc12)c1ccc(Cl)cc1 409218029 GUURCOOYFVRIHP-MBTHVWNTSA-N 463.320 6.130 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)c(C)c1 409248677 FHFFAJSWQHPAEE-LPYMAVHISA-N 487.987 6.137 50 40 JKGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3C)=C2C#N)cc1Cl 409302619 JTJJHFTXMVFEFD-CQSZACIVSA-N 476.385 5.021 50 40 JKGB CC(C)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Br)cc3)=C2C#N)cc1 6190884 XIODLOAGIFQXOG-LJQANCHMSA-N 484.419 5.283 50 40 JKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OC)cc1 10059541 AZKQQMRITIIJAP-ICXMQADFSA-N 498.215 5.263 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cc(Br)ccc1O 14408625 LNKLVGNNOFDUQY-LSFURLLWSA-N 454.107 5.485 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Cl)c(Cl)c1 28216330 OCUQJIZJODNCNK-NSKAYECMSA-N 485.198 6.237 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1)c1ccccc1F 33382777 DWJDACQNMFMHAI-SXGWCWSVSA-N 477.160 7.538 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1OCc1ccc(C(=O)O)o1 34719117 RASMAYCJRMEDEW-YBEGLDIGSA-N 454.276 5.392 50 40 JKGB N#CC1=C(N)N2C(=C(C#N)[C@@]13C(=O)N(Cc1ccccc1Cl)c1ccccc13)Sc1ccccc12 72422438 VCLMJNGLTPTWNU-MHZLTWQESA-N 493.979 5.180 50 40 JKGB FC(F)(F)c1cccc(-c2cc(C(F)(F)F)ccc2P(c2ccccc2)c2ccccc2)c1 95611984 SORCKBZDLZIVAH-UHFFFAOYSA-N 474.384 7.149 50 40 JKGB O=C(NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Nc1nc(-c2ccccc2)cs1 97982967 IVYLXKQRDOIMOI-UHFFFAOYSA-O 494.580 5.883 50 40 JKGB C(=N/c1cccs1)\c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 103441049 GUMYUMYHQWHAOZ-JJKYIXSRSA-N 462.558 7.308 50 40 JKGB C=C(C)C(=O)OCc1ccc(CC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C)cc1 196621757 XXDKTZPANKHJCY-UHFFFAOYSA-N 498.917 6.342 50 40 JKGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 408607979 GGDJQHJCSRVRQO-FJEPWZHXSA-N 498.410 5.462 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3C)n2)c1 408726752 TYKAXCSPAHVKJT-NDZAJKAJSA-N 460.537 5.773 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(F)cc1 408793366 DSZXNBNJFDLKAD-VXLYETTFSA-N 499.369 6.964 50 40 JKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(F)cc2)c2ccccc12 408808606 QIXJUSXTGSPIQQ-RCCKNPSSSA-N 453.517 6.000 50 40 JKGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 408822918 MXBCULXDUJTIRL-DFWYYUMKSA-N 467.780 6.056 50 40 JKGB CCOc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c2ccccc12 408843796 NURLDABCRQOZBJ-IPPBACCNSA-N 498.530 6.150 50 40 JKGB N#C/C(=C\c1c(OCc2cccc(Cl)c2)ccc2ccccc12)C(=O)Nc1ccccc1F 408864948 ARKOTDLGLVNYLN-HMMYKYKNSA-N 456.904 6.757 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 408870502 SQUMEDQVIBDHBZ-GZTJUZNOSA-N 491.296 7.137 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OC(=O)c1cccc2ccccc12 408879033 CINRSZVOPPMSTA-ZCTHSVRISA-N 474.516 5.985 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Br)c2)c([N+](=O)[O-])c1 408881794 MRLLUNKPGSZBGQ-XDHOZWIPSA-N 492.329 5.790 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OC)c1OCc1ccccc1Cl 408888770 AKATVTKZNWBQBH-LDADJPATSA-N 493.903 5.390 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(C)cc1 408956482 XJTWKVSKNWEYAZ-QRVIBDJDSA-N 499.998 5.983 50 40 JKGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1I 408985748 YIDJUHLUIGEMTH-ZROIWOOFSA-N 466.706 5.197 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Br 409055379 IHAKPRQDIRHNSJ-MDWZMJQESA-N 480.156 5.252 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 409079053 KMJFXGUGWIEXDN-RVDMUPIBSA-N 491.327 5.446 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409080429 HXPDQEUOUYKWKL-LDADJPATSA-N 497.467 5.973 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1cccc(I)c1 409228327 XJAZRBBLMIFIFS-OJSPLJLUSA-N 495.364 5.483 50 40 JKGB Cc1ccc(NC(=O)Cn2cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)c3ccccc32)cc1 409238087 YZBLXVRQLMYZIJ-BNDVRQRFSA-N 462.553 5.373 50 40 JKGB Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Cl 409258140 WQMMXKCIAIATOO-PPDIBHTLSA-N 490.774 5.737 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)c1C 409258206 WZACSDIHNQLLDP-ODLFYWEKSA-N 494.378 6.173 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)ccc1OC 409321285 STCXBERUMCKQOX-VYYCAZPPSA-N 473.356 5.744 50 40 JKGB COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2F)cc1Cl 606422246 FNAGFVUHJNURHD-JOCHJYFZSA-N 468.843 5.064 50 40 JKGB CC1(C)[C@]2(C(=O)N(Cc3ccccc3)Cc3ccccc3)CC[C@@]1(C)C(=O)[C@H]2Br 8739107 FPPROZSUXDYSBL-DCEDVJGZSA-N 454.408 5.374 50 40 JKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3I)n2)cc1 9404952 YDMRVHLJLDKQCH-QGOAFFKASA-N 485.394 6.590 50 40 JKGB N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@H]1c1c(Cl)cccc1Cl 9693597 WCNAADZNLSMUAI-CQSZACIVSA-N 450.778 5.866 50 40 JKGB CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)s1 12401693 XWJRAQLYJOBDDG-MRXNPFEDSA-N 457.650 5.041 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1C 14134569 PKFOLLUOKXMHPW-CVKSISIWSA-N 451.364 5.338 50 40 JKGB COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1N/C=C(\C=O)c1nc2cc(Cl)ccc2o1 16293234 OFQSWVVCBNNNIB-DTQAZKPQSA-N 497.960 5.251 50 40 JKGB COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1OCc1ccccc1Cl 32520787 TYOMLHUPGKEOQG-LGJNPRDNSA-N 498.029 5.780 50 40 JKGB Cc1cc(C)c(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(C(C)C)cc2)C2CCCCC2)c(C)c1 33731387 KPOZWSHOWJFZQH-QRQIAZFYSA-N 483.678 5.209 50 40 JKGB Cc1ccc(Sc2oc(-c3ccc(C)cc3)nc2C(=O)NNC(=S)Nc2ccccc2)cc1 41154505 OODGMFRIFMXWCF-UHFFFAOYSA-N 474.611 5.741 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl 58871836 AITCFKSJDUQLSB-MZJWZYIUSA-N 494.956 5.642 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(F)c1 59272217 VWBXEHZBBVLXLW-YBFXNURJSA-N 461.449 5.257 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(C)c3)c(Br)c2)cc1 59335240 OJIWVLBXRXAQMZ-JAIQZWGSSA-N 495.804 6.844 50 40 JKGB CC1(C)[C@@]2(C(=O)Nc3ccccc3F)CC[C@]1(C(Br)Br)[C@H]2Br 98046366 FDSGYGIVCKMGRA-LYRGGWFBSA-N 498.028 5.450 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1cccc(F)c1 408543649 PRGIGDFWKMZMAU-GRSHGNNSSA-N 482.305 5.938 50 40 JKGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc(C(C)(C)C)c1O 408755481 QGGLXPWJFLRUBQ-OCSSWDANSA-N 490.600 6.028 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccc(Cl)cc3)o2)cc1 408795023 KUCPNCADYMCGGM-DTQAZKPQSA-N 452.919 5.807 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)c1ccccc1 408806487 JIMYWRWDQSJSLF-OMNSNBSWSA-N 484.397 6.236 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OCc2c(C)ccc3ccccc23)c1 408809868 SJJISWDNBVECTP-LFVJCYFKSA-N 462.549 6.590 50 40 JKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Br)c1 408865322 CZMDLVBEZYJFGU-YDZHTSKRSA-N 459.387 6.511 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1Cc1cccc(F)c1 408869549 SNTVSTQJMNNUSF-KEBDBYFISA-N 493.376 6.350 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccccc2C)cc1 408889771 HADGIFDTOLWJDF-AFUMVMLFSA-N 453.336 5.109 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408891518 RVCAIZDNKZOKCD-LICLKQGHSA-N 468.296 6.026 50 40 JKGB O=C(N/N=C\c1ccc(-c2cccc(Br)c2)o1)c1cc2cc([N+](=O)[O-])ccc2o1 408905284 WQAOCQVWSBMIQD-JJFYIABZSA-N 454.236 5.127 50 40 JKGB Cc1ccc(Sc2oc(/C=N/NC(=O)c3cccc(Br)c3)cc2Br)cc1 408912949 ISHSGFKTJICLIR-SSDVNMTOSA-N 494.208 6.028 50 40 JKGB O=C(O)c1cccc(COc2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2Cl)c1 408968338 VPVMEEIDZYCFNU-KVSWJAHQSA-N 476.838 5.400 50 40 JKGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 408974194 WRDQTHFDEHHPQD-FDBZCLHMSA-N 498.435 5.574 50 40 JKGB CC1=CC(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1 408984172 PXHQSRMEWCBZOH-IENUPWEYSA-N 495.022 7.676 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)c(C)n1-c1ccc(Cl)c(Cl)c1 409067554 YWLWNCKTMFTDEM-VROXFSQNSA-N 481.177 5.633 50 40 JKGB C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 409069155 VGZUPINEGOISAH-CPNJWEJPSA-N 454.448 5.390 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 409179035 PMKKKSQQMWRVIR-ZCTHSVRISA-N 488.547 6.586 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1 409219567 NYRRZPHHRAAWAI-XSFVSMFZSA-N 489.959 5.610 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)c1ccccc1 409245759 YTGFXZZYMSUVFS-SBGXLDQMSA-N 459.933 5.142 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C 1821983 ZYQUOACVAUHFBY-XDHOZWIPSA-N 475.017 6.414 50 40 JKGB COc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 2227338 XDTJMVHKVLZRLS-FYAMCCBRSA-N 469.566 5.069 50 40 JKGB O=C(N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1)c1ccc(Cl)cc1Cl 8762984 QSVCBOBJLCTVDP-KBKYJPHKSA-N 451.712 6.129 50 40 JKGB N#C/C(=C/c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1 8836131 CALVSYQPFUCQKR-ITYLOYPMSA-N 456.570 8.334 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1CSc1nc2ccccc2o1 8873225 BEAGHLXZNLCFBZ-RPPGKUMJSA-N 486.380 6.199 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)cc1 8921395 BMYLDEGQTIAJBB-HEHNFIMWSA-N 462.578 7.002 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(/N=N/c3cccc(Br)c3)ccc2O)c(Cl)c1 9288150 QDHSWLXSQWQLKS-HDARYGDVSA-N 471.742 6.296 50 40 JKGB Cc1cccc(C)c1OCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1 12285074 VPWNEODYAMWKFF-RCCKNPSSSA-N 491.385 6.069 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)c2cccs2)=C(C#N)[C@H]1c1cccs1 20348275 YNCBUWDWWJCLHS-NRFANRHFSA-N 492.647 5.822 50 40 JKGB COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OC 20916155 LZHUNNATDPMLEO-IZZDOVSWSA-N 456.123 5.319 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 59224568 IYTMRWQERRUNSQ-DEDYPNTBSA-N 451.353 6.680 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2cccc(C)c2)c(OC)c1 108060688 HPWMWPXRLYBBCE-OKCVXOCRSA-N 488.971 6.162 50 40 JKGB Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C)[C@H](C)CC(C)(C)N2C(C)C 223606563 ZJJSEMKMOOMFMT-UZQMFHLOSA-N 450.026 7.003 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1cccc2ccccc12 408549620 VUKYFACVJUTNSP-DICXZTSXSA-N 475.975 8.298 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1ccc(Cl)cc1 408552121 HLADWRFWPKDRIA-GZTJUZNOSA-N 457.744 6.728 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)N[C@@H]1CCCC[C@H]1C 408607569 TUTPBTGHVBCZPZ-ZQVRYYRPSA-N 472.589 5.326 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1ccccc1 408741221 HPDYAPPARMNEAT-UCQKPKSFSA-N 483.365 6.727 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br 408744799 HIEPQRWZOQEHCM-GHXNOFRVSA-N 484.575 5.809 50 40 JKGB N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 408764350 RFPOOTJHRXOVRV-WJDWOHSUSA-N 471.727 6.412 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)c(Br)cc1OC 408768261 VMKCESONXQRIER-ATVHPVEESA-N 472.383 5.248 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1 408796239 OOBJGJWJJXSUQH-FYJGNVAPSA-N 474.488 5.136 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1c(C)ccc2ccccc12 408813686 NUMIPNRDDHGGKN-HZHRSRAPSA-N 496.994 7.325 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OCc1ccc(Cl)cc1 408817053 KOETWMCTHOYHND-WOJGMQOQSA-N 464.352 6.912 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OC 408817413 VWGXYYPWDRULHS-NTEUORMPSA-N 494.183 5.555 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1cccc(C)c1 408818764 OTIAECPZAFDCMI-ONUIUJJFSA-N 452.554 5.535 50 40 JKGB N#C/C(=C/c1cccn1-c1ccc(Br)cc1)C(=O)Nc1cccc(Br)c1 408854349 CYWNLRZAXPSCRC-KAMYIIQDSA-N 471.152 5.548 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1F)C(=O)Nc1ccc(Cl)c(Cl)c1 408867948 KTORDMVNTAUVNY-LICLKQGHSA-N 459.735 6.922 50 40 JKGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 408874220 ZKMURXZHXOARNS-WLRTZDKTSA-N 470.150 5.126 50 40 JKGB Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2F)c1 408880842 KZWWDSIJINNTQH-XQNSMLJCSA-N 450.513 6.720 50 40 JKGB COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1Cl 408888298 YSOPFUDPFBJCMY-VZUCSPMQSA-N 473.097 5.152 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)ccc1Br 408903969 BVNUTYUIGIQGSG-YVNNLAQVSA-N 477.702 5.735 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OS(=O)(=O)c1ccc(OC)cc1 408925871 UOMGQBRCAVDTOP-NBVRZTHBSA-N 492.578 5.535 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 408926242 WKVIQYNFCJJPIR-XSFVSMFZSA-N 492.373 5.579 50 40 JKGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c1C 408944301 UYWFLBCYLBVRFC-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc2ncccc2c1 408968249 XPGRGZDTYJROIR-NDENLUEZSA-N 471.358 5.951 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OC)c1OCc1cccc2ccccc12 409064595 HSPGUMSXUUIOEF-MTDXEUNCSA-N 488.587 6.379 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1cccc(F)c1 409070667 DMAPHGJKUQSYKD-CIAFOILYSA-N 487.487 5.596 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(C)cc4)c(OC)c3)cc2c1 409189617 LQCFDROSBPKHLO-FDVSRXAVSA-N 492.959 6.145 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(C)cc1C 409271687 VYRWFMRMRCRHDD-BUVRLJJBSA-N 497.595 5.882 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc3ccccc23)ccc1OC 409332046 JIZZYXYAWRRBPV-LQNQUEJISA-N 488.971 6.243 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc5ccccc5c4)c(OC)c3)[nH]c2c1 409392909 UBEHZTCNVFKJGE-QRVIBDJDSA-N 461.521 6.376 50 40 JKGB O=C(NC1CCCCC1)NN(C(=O)Nc1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)cs1 1415223 KFJDJSMIHWPPKU-UHFFFAOYSA-N 487.988 6.188 50 40 JKGB O=C(NN[C@@H](c1ccccc1)c1ccc(Br)cc1)C(O)(c1ccccc1)c1ccccc1 2311494 XIJUQKUWXZOBCP-VWLOTQADSA-N 487.397 5.095 50 40 JKGB O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1ccc(C(F)(F)F)cc1 2360193 UOXXDDCHKBXRAK-AUEPDCJTSA-N 468.551 5.092 50 40 JKGB O=C(COc1ccc2ccccc2c1Br)N/N=C/c1c2ccccc2cc2ccccc12 3168738 UUSBBZWCCCPDEO-MUFRIFMGSA-N 483.365 6.438 50 40 JKGB N#C/C(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)=C1\Nc2ccccc2S1 3274626 LDUZFMHQJOBDEP-CLCOLTQESA-N 467.579 5.548 50 40 JKGB N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1c(Cl)cc(Cl)cc1Cl 4292591 AUDQHQPZJUABRT-CQSZACIVSA-N 485.680 6.069 50 40 JKGB biogenic C/C(=N\NC(=O)[C@@H](C)SCc1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 8398693 RIPRBVCUQPNQHC-OQIQZUQJSA-N 466.006 5.754 50 40 JKGB CC[C@@H](C)c1ccc(OCCn2c(C)c(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 8984976 OBVFCKHQJNOWAT-MDVMQCDRSA-N 479.580 7.515 50 40 JKGB CCOC(=O)N/N=C1/C=C2CC[C@H]3[C@@H]4C[C@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 12413535 ZGBFIPQSPKDRKC-IXAIYCPLSA-N 454.655 6.427 50 40 JKGB N#C/C(=C/Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2cc3ccccc3oc2=O)cs1 13659104 FSVTVQVLOHOTIL-RAXLEYEMSA-N 473.863 6.565 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(Br)cc1F 15226951 GDXGLUXDPCNSKE-ODLFYWEKSA-N 452.327 5.219 50 40 JKGB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=C(\C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 25398229 QTEYQNILSRKUQH-GZTJUZNOSA-N 466.372 5.633 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 33334950 SXJCUVURJAHEKK-YUMHPJSZSA-N 455.518 5.174 50 40 JKGB CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC 33383125 PBKKVQPXFIFKGE-AISSWFOISA-N 453.753 6.378 50 40 JKGB Cc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)c(C)n1-c1ccccc1Br 34690265 TWIDDIBAJAHXNP-SFQUDFHCSA-N 466.429 7.123 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cccc(C(F)(F)F)c1 38202688 XHKCEHRGEFIYGQ-FMIVXFBMSA-N 451.231 6.818 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 58871208 CIOBUTYNWONZQU-MZJWZYIUSA-N 489.424 6.214 50 40 JKGB C/C(=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(C2CCCCC2)cc1 96399255 NWCNXXBNAGCMEU-ITYLOYPMSA-N 481.643 5.751 50 40 JKGB c1ccc(C2(c3ccccc3)C[C@@H]([PH](c3ccccc3)(c3ccccc3)c3ccccc3)N=N2)cc1 104126586 MZRPZQJGIBOLCP-JGCGQSQUSA-N 484.583 6.839 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1Br 108099045 WDNKESMXXIIOJH-MFKUBSTISA-N 454.368 5.221 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 408555172 VZIKEISALJCOIZ-XMHGGMMESA-N 482.565 5.062 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 408599803 KXMUSKQLBXXTQC-WCMJOSRZSA-N 492.450 7.366 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Br)c1OCc1ccccc1Cl 408724529 FHLJPQKKIUAPSB-BHGWPJFGSA-N 477.742 5.355 50 40 JKGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OC 408726509 TZHUNFIIYGVAKY-YVLHZVERSA-N 488.325 5.027 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408726889 WGEOGYTZAOBRLH-UNOMPAQXSA-N 488.456 5.026 50 40 JKGB O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1cccc(Cl)c1 408741829 SDHFHBZLXXYGSP-RUMWWMSVSA-N 475.979 7.229 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1cccc(F)c1 408743994 IZELMPVIVOPLCS-GRSHGNNSSA-N 495.348 6.030 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408745999 QATOSEBUEDQKIG-YVLHZVERSA-N 487.770 6.780 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1)Nc1cc(Cl)ccc1Cl 408759970 PFEAKYCNYPLNMD-RPPGKUMJSA-N 476.747 5.428 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@H]3C)c2C)sc2c1CCCC2 408805560 GQYCTHFQQCZEOU-PRWPPKDBSA-N 493.673 5.813 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2cccc(OC)c2)c1Cl 408811695 LTBGVJCGXKCXOY-BRJLIKDPSA-N 476.316 5.279 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cccc(Br)c4)cc3)cs2)cc1 408839197 OQDDICSXXBHQMV-VULFUBBASA-N 491.414 6.389 50 40 JKGB Cc1ccc(NC(=O)N/N=C/c2cc(C)c(OCc3ccc(Cl)c(Cl)c3)c(C)c2)cc1 408855456 DIXZLDIXTZTCIJ-UVHMKAGCSA-N 456.373 6.653 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1OCc1cccc2ccccc12 408878530 AGMKEZKZJCFGIQ-PXLXIMEGSA-N 478.504 5.671 50 40 JKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Br)c1 408879820 GZVMPLKDSAGGRO-SRZZPIQSSA-N 479.805 6.856 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)c(Br)c1)C(=O)Nc1ccccc1 408897601 YUNMNCZYRAQQRO-HMMYKYKNSA-N 497.348 6.367 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)C(=O)Nc1cccc2ccccc12 408898813 NCDPNIRXVWEAIA-FYJGNVAPSA-N 473.359 7.271 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OCc1ccc(Cl)cc1 409022350 LDLGRTSSHKGIHY-MUXKCCDJSA-N 483.351 6.481 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)c(C)c1 409074603 VRVFWYNDROSUJV-LDADJPATSA-N 472.907 6.377 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 409220283 WDKSXXSADLYJIV-LDADJPATSA-N 463.896 5.351 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1 409250515 MRBFHPZFSMEKTL-XDHOZWIPSA-N 492.329 5.747 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1C 409271766 MVYDFTPEFQOKRQ-CPNJWEJPSA-N 475.932 5.220 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1OC 409313427 PWHRUDCWALMQJD-FDVSRXAVSA-N 498.938 5.404 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)cc1OC 409317727 RMZJQOAVQKQOKU-RHANQZHGSA-N 494.975 5.655 50 40 JKGB CCCCOc1ccc(C(=O)NNc2nc(SC)nc3sc4c(c23)CC(C)(C)OC4)cc1 2231998 FJDWJNRBJJWXPP-UHFFFAOYSA-N 472.636 5.200 50 40 JKGB CCCCOc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C(C)C)cc3)CC(=O)N2)c1 2312310 OPKWYZGRCAKZOL-HSZRJFAPSA-N 477.630 5.699 50 40 JKGB Cc1ccc(N(C(=O)Nc2cccc(Cl)c2)C2=NC[C@](C)(CBr)S2)cc1 2361532 OFSPTPLSHQBJAS-IBGZPJMESA-N 452.805 5.943 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3284357 JQJMRAAYMWFQBY-WYMPLXKRSA-N 482.776 5.212 50 40 JKGB C/C(=N/NC(=O)c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1)c1ccc(F)cc1 8770059 XLUAYCSTYDMICJ-QDTIIGTASA-N 473.455 5.308 50 40 JKGB COc1cc2c(cc1N/C=C(\C#N)c1nc(-c3ccc4c(c3)OCO4)cs1)oc1ccccc12 9057801 PBIJWBIEDUGHHU-FOWTUZBSSA-N 467.506 6.423 50 40 JKGB CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 9296304 LBRVFXLBIKIJGH-HSZRJFAPSA-N 484.358 5.996 50 40 JKGB Cc1cccc(OCCOc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)c1 13942345 GSUMFFZAKOHQSL-DEDYPNTBSA-N 481.379 6.614 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)N2CCn3c2nc2ccccc23)c(C)n1-c1cccc(C(F)(F)F)c1 15978890 XQCVOSBSHLXPPL-CPNJWEJPSA-N 475.474 5.416 50 40 JKGB COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OCc1c(C)cc(C(C)(C)C)cc1C 15980698 HPCKRHGABCLPKA-XQNSMLJCSA-N 484.644 6.571 50 40 JKGB O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCC1 20233120 QQVQVSPMWBCTKE-UHFFFAOYSA-N 482.433 5.405 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 20763818 NKJUWNQSYKFTGC-MFKUBSTISA-N 453.336 5.191 50 40 JKGB CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(F)cc2)cc1 27021171 ZCZMXQAXIUPONZ-CJLVFECKSA-N 466.516 5.300 50 40 JKGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 59101538 IZBHHNIFJCXYFU-MZJWZYIUSA-N 486.355 5.060 50 40 JKGB N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)Nc1cccc(Cl)c1Cl 59336610 XYPAYIZBQICFMF-BENRWUELSA-N 455.326 6.160 50 40 JKGB O=C(c1ccc(-c2ccccc2)cc1)[C@H](Br)[C@@H](Br)c1ccc([N+](=O)[O-])cc1 98042967 MBTSUOGHHPLZHK-VQTJNVASSA-N 489.163 6.344 50 40 JKGB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(/N=N/c3ccccc3)cc1)[C@H](Br)C2=O 100834647 WJVDGQHEYIHWJJ-QEFSZANFSA-N 454.368 6.199 50 40 JKGB N#CC1=C(SCC(=O)NCc2ccccc2)N=C2CCCC(O)=C2[C@@H]1c1cccc(Cl)c1Cl 104092471 BNXWOAMEUUNSOI-JOCHJYFZSA-N 498.435 6.312 50 40 JKGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)cc21 208252317 UKKBBUWQDOSHED-PFFIHKFBSA-N 451.920 5.774 50 40 JKGB CCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OC)c1 408539288 GNAXYCAQHGOOOB-FSGOGVSDSA-N 495.019 6.651 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1OC 408579659 JGKCTAAFTRAGFJ-CIAFOILYSA-N 464.359 6.418 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)Cn1cnc2ccccc21 408691582 GPOZOEIQFBKXEE-ODLFYWEKSA-N 489.329 5.893 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccc4ccccc4c3)c2)c1 408758644 OLQVOFCNWQWTMJ-HZHRSRAPSA-N 498.560 5.552 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCc1ccc(Cl)cc1 408780876 MMNHNVZEMGWKID-QDTIIGTASA-N 462.855 5.710 50 40 JKGB N#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 408796961 QNWQCWLJAYQTNO-XSFVSMFZSA-N 488.341 5.476 50 40 JKGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3OC)cc2)c1 408804187 CYHLIQCCNIZKAY-LDADJPATSA-N 478.932 5.490 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)c1C 408809171 QWTALJRYDXZBCD-XQNSMLJCSA-N 466.968 7.235 50 40 JKGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 408817555 VVEDYNAOMKGSJF-MDWZMJQESA-N 452.135 5.866 50 40 JKGB COc1cc(/C=N/NC(=O)/C=C/c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 408831596 UOAVKVYEJUJYMP-BQZGYUKESA-N 499.792 5.854 50 40 JKGB Cc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)cc1 408839006 LMYDMYQNPQTXCA-MZJWZYIUSA-N 461.974 6.188 50 40 JKGB Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(C)c1OCc1ccc(F)cc1 408845348 GDPQFFFYORXPRS-BIZUNTBRSA-N 482.555 5.408 50 40 JKGB O=C(CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1)NN=C1CCCCCC1 408867515 LELGHZZPPNMOHS-UHFFFAOYSA-N 468.406 5.015 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Cc2ccccc2Br)c1 408878798 BUWDYHWAYCYMBS-FYJGNVAPSA-N 461.359 5.903 50 40 JKGB CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1c(C)cccc1Cl 408890143 OOPKTDORHZLDSY-NTUHNPAUSA-N 498.602 6.118 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1 409050365 VBFMJQIJADVDRX-CPNJWEJPSA-N 490.357 5.321 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1 409053969 FDYVVDRYUQELPQ-CXUHLZMHSA-N 475.734 6.911 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OCC)c1OCc1cccc2ccccc12 409082256 RTYSBJKNUITPFW-NLRVBDNBSA-N 485.587 7.486 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccccc1F 409128826 ULROLAXDRVFNPM-JOCHJYFZSA-N 497.320 5.100 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl 409223362 ZEVOQUBKMOBXGP-MLPAPPSSSA-N 487.261 5.500 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)cc1 409225473 RAEJJRZVDNDUJJ-FYJGNVAPSA-N 473.960 5.828 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409227469 YUNLYYWKRCGXNW-WOJGMQOQSA-N 493.922 5.359 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccccc1 409229826 ABSWYCNPKKMEOE-JJWXFRNXSA-N 477.520 6.111 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2C)c(C)c1 409249875 IZDPIYPYKSSVFF-LPYMAVHISA-N 487.987 6.137 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)ccc1OC 409311377 ZNGYUWRUUPAAMM-MUXKCCDJSA-N 486.927 5.238 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)cc1 2211215 UQBHKKKKPAGFAS-GUNDDFSMSA-N 488.012 5.967 50 40 JKGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c1 2322159 SOFVPGCMWAUPCM-BRJLIKDPSA-N 455.898 5.469 50 40 JKGB Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)c3c[nH]c4ccccc34)N(c3ccccc3)C2=O)c1 10435212 GEKLLKZHXSSATN-NNHPPCHPSA-N 463.562 5.786 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 10475989 NSUBZMSRXGSFCV-RWPZCVJISA-N 487.383 5.673 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1)c1ccc2ccccc2c1 13646110 AAZVTMOFGMQUBP-YQYKVWLJSA-N 474.564 6.271 50 40 JKGB COc1ccccc1OCC(=O)N/N=C/c1c(Br)c(C)n(-c2c(C)cccc2C)c1C 20243729 ORDAOUMKTVGCJT-LGJNPRDNSA-N 484.394 5.011 50 40 JKGB Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)c3ccccc32)c1 38200133 OTDLUJMOYUOQDO-KGENOOAVSA-N 476.605 6.356 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 58913208 RQTOAKZTAAFCTF-KBKYJPHKSA-N 477.779 5.452 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 59336186 OIVHPZKSRXJDIG-SXGWCWSVSA-N 492.189 7.425 50 40 JKGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(/N=N/c2cccc3ccccc23)ccc1O 102535307 SAQMZGUWUNWOQF-HOEVZMQCSA-N 452.514 6.107 50 40 JKGB CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)c1ccc(-c2ccccc2)cc1 169840206 OXDCRRPMMHYQKU-VXKWHMMOSA-N 471.670 6.394 50 40 JKGB Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)o2)c(Br)c1 209659836 DDNPMHICGALVNW-PTNGSMBKSA-N 492.398 6.375 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 408580373 OZGCSIHYUFXIAV-LPYMAVHISA-N 460.961 6.437 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OCC 408580481 PTJSCXMCKIXNGE-RIYZIHGNSA-N 451.147 6.231 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1OC 408581144 GQDSMGWVXFREEW-XDHOZWIPSA-N 478.932 5.447 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccccc1Cl 408591283 SQAUWOJNSPEDFN-KKMKTNMSSA-N 456.760 6.414 50 40 JKGB O=C(N/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccc(N2CCCC2)cc1 408678414 YUKLEXCHSNAVNB-MUFRIFMGSA-N 498.461 5.770 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 408735883 YVRRBPYIIGFLRI-UKTHLTGXSA-N 486.709 6.125 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Br)cc1 408737544 CZRWPUMFKMMBPL-BHGWPJFGSA-N 465.178 5.927 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(Br)cc1 408744620 MHPYXMZYHIOILI-XFXZXTDPSA-N 472.682 5.816 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(Br)cc1 408746394 YVLWVAIHISKQGH-SFQUDFHCSA-N 499.206 6.165 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1cccc2ccccc12 408759110 XXNHPCBXKZNMQY-PXLXIMEGSA-N 483.365 6.727 50 40 JKGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc(C(C)(C)C)c1O 408761280 DCJAELIOTLTTIA-OCSSWDANSA-N 481.036 6.984 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 408792927 MMPCQORTZOXSBX-UDWIEESQSA-N 464.924 6.175 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 408793408 DZFBAAQUMFIQPH-UDWIEESQSA-N 491.931 6.080 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408793783 GFZYFCUMVVYOSG-LTGZKZEYSA-N 454.913 6.725 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccccc1 408795712 MUBRFXFRAFSYJU-LICLKQGHSA-N 457.744 6.771 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408795950 WQVMKFSQGHNFAV-RQZCQDPDSA-N 451.841 5.512 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1)C(=O)Nc1ccc(Br)cc1 408804059 CLTJEQKLKANHBL-LDADJPATSA-N 467.750 6.227 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(OC)c1 408806164 AYNXDGRFDMUSOE-RGVLZGJSSA-N 473.916 5.354 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccc(Cl)c2)cc1 408808520 PYGSYYCJCMPTAK-KGENOOAVSA-N 490.943 5.650 50 40 JKGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408817695 WEIXEEVCYSCGHX-BLGABIECSA-N 471.370 5.769 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3cc(C)cc(C)c3)c(OC)c2)cc1 408875925 MLBUGELQSODJGR-CIAFOILYSA-N 460.961 6.111 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408888410 VFHJVCVHDZGRPZ-DHZHZOJOSA-N 462.676 6.361 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1OCc1ccc(C)cc1 408889727 GHRNTWXFLBCIIG-OEAKJJBVSA-N 482.967 6.935 50 40 JKGB COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)ccc2OC)cc1 408900283 UQYIYJVGXJVERG-SFQUDFHCSA-N 497.334 5.775 50 40 JKGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 409007534 XQKRXPXXZONTQA-OPEKNORGSA-N 473.187 5.303 50 40 JKGB CC(C)COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Br 409049127 UWSJBKVGDJRKPW-VGOFMYFVSA-N 494.183 5.498 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1 409054591 SZQSZXHVTCWZBU-XODNFHPESA-N 491.802 6.697 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1 409068687 HOJFQVBLCYWQTC-FOWTUZBSSA-N 473.337 5.307 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1 409079861 BVJBDQUQMDDSAR-NTEUORMPSA-N 482.811 5.633 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409086284 UZWBMZLRTOJHDL-GZTJUZNOSA-N 497.429 6.269 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1cccc(C)c1 409244357 BKMPTAKDMWIAQK-VYYCAZPPSA-N 485.353 5.177 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)cc2)cc1OC 409318870 YIOOLLJOBPLOEO-YUMHPJSZSA-N 497.389 5.589 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 1455694 OUIOQFHQFYYIAE-SFQUDFHCSA-N 480.376 6.846 50 40 JKGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)nnc2-c2ccc(C)cc2)cc1 1824616 ICHCLTHEDHRAEW-STBIYBPSSA-N 499.640 5.617 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCCSc1cccc2ccccc12 2179805 ABRBJTPUIYPDQQ-VUTHCHCSSA-N 471.582 5.569 50 40 JKGB Cc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)NC2=C1C(=O)CCC2 2310089 OTMRPEZQWZOFLP-HSZRJFAPSA-N 463.990 5.449 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1cccs1 2337845 MZALTHAYERYZHA-YDZHTSKRSA-N 460.028 5.408 50 40 JKGB CC[C@@H](Oc1cccc(Br)c1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 2771710 FTDAVKSUAQDTFW-UJBXUPAJSA-N 461.359 6.063 50 40 JKGB COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c1Oc1ccc(C(F)(F)F)cn1 6088292 KRZLXRJDEKZMBY-WOJGMQOQSA-N 494.878 5.893 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(OCc2ccc(C#N)cc2)cc1 9246296 RTECQPRKORWTEX-YZSQISJMSA-N 478.596 5.901 50 40 JKGB O=C(NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1cnc(Cl)c(Cl)c1 12566552 RIIYQTRJMSWFFD-UHFFFAOYSA-N 471.731 5.332 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cc(Br)ccc1O 14408630 BDWZHYRHROTQRF-LSFURLLWSA-N 454.107 5.485 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OCC 33438988 NROUNNNJJBMBIT-AFUMVMLFSA-N 471.351 5.172 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 35127825 GWKWWRIXJDHSJY-PDGQHHTCSA-N 463.896 5.351 50 40 JKGB O=C(N/N=C1\C(=O)N(CCOc2cccc3ccccc23)c2ccccc21)c1ccccc1Cl 46085200 PKUJJHXWZPJNLY-GNVQSUKOSA-N 469.928 5.053 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c(Cl)nn1-c1ccccc1 58961948 HUEVZENIBCMFGC-JVWAILMASA-N 460.990 5.890 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 59117428 WYSZNAHPUKPUSH-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB O=C(COc1ccccc1-c1ccccc1)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 71335762 LFOWQKKJSNYAOS-DICXZTSXSA-N 475.888 5.704 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2O)cc1 96476279 ZMLOFCWGHHHAFJ-QPEQYQDCSA-N 450.130 5.025 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(O)CCCC3=N2)c(C)c1 102623025 IENFDRVTQKHCCF-XMMPIXPASA-N 478.017 6.598 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)C3=C(O)CCCC3=N2)c(C)c1 104077372 IKIMVHAEGDVWNQ-RUZDIDTESA-N 457.599 6.253 50 40 JKGB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3[C@H](Br)C(=O)[C@@]21C 118927637 UBRJOFJFNRMMKB-DGFYCJPJSA-N 453.461 6.089 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 408542278 IBQNEPLXUJNQQD-LPYMAVHISA-N 480.568 5.887 50 40 JKGB Cc1ccc(/C(C#N)=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)cc1 408578802 BAZMFNJZTABKNP-CPNJWEJPSA-N 454.345 5.589 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1Cl 408727232 ZDHSIHPSOPGJCP-HMAPJEAMSA-N 460.961 6.480 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(F)cc1 408791899 DZTWTCKSTGIRBV-CIAFOILYSA-N 478.951 6.619 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)c(C)c1 408797979 USAYJZJAKVDOBF-BUVRLJJBSA-N 466.968 7.235 50 40 JKGB CCOc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 408839491 TUUGPUQVJKRUDH-JFLMPSFJSA-N 476.989 6.370 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2Br)cc1 408874036 YTZLKRAYMHZWOI-CPNJWEJPSA-N 481.777 6.248 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)C(=O)Nc1ccc(C(=O)O)cc1 408889430 GTKJJPDHJDXVEG-VCHYOVAHSA-N 467.308 5.816 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc3ccccc3c2)c1OCc1ccc(Cl)cc1Cl 408923872 KSRQEGIJJYMOAR-WKULSOCRSA-N 479.363 6.498 50 40 JKGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2c(Cl)cccc2Cl)c(Br)c1 408927005 ZFGMVFRCAKISDX-JXMROGBWSA-N 488.994 6.373 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1Cl 408994374 ZCMSXYSFORLIDA-WQRHYEAKSA-N 471.771 7.080 50 40 JKGB Cc1cc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)ccc1Br 409002656 VYVHLEMQGJNSSA-BRJLIKDPSA-N 474.786 5.348 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)c(Cl)c1 409123302 FYVQKSYNGTWELB-DEOSSOPVSA-N 498.410 5.701 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCCOc1ccccc1Cl 409192775 AWSURABGLIBGQX-QGOAFFKASA-N 468.962 5.091 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1ccccc1 409244411 CGRMVJCRPMDWBU-OBLBUWMUSA-N 469.343 6.496 50 40 JKGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2754942 IJYRWKQLHPBDIL-AQTBWJFISA-N 492.888 6.757 50 40 JKGB CCCCCCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=C(C#N)C#N 3137969 HJBLFJDVQCWKAQ-UHFFFAOYSA-N 474.473 5.850 50 40 JKGB CCn1c2ccccc2c2cc(N/C=C(\C#N)c3nc(-c4cc5ccccc5oc4=O)cs3)ccc21 8816875 YYOYQBCOHLFROL-KNTRCKAVSA-N 488.572 7.021 50 40 JKGB O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccncc1 8990091 UKKABDDUEVQKQH-AJBULDERSA-N 487.519 5.878 50 40 JKGB COc1ccc(/C(C)=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 9008045 OANPFGXMJJRPQH-PCLIKHOPSA-N 494.667 5.625 50 40 JKGB O=C(COc1cc(Cl)c(Cl)cc1Cl)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 9354582 BEZBEQIOVPJJSJ-XODNFHPESA-N 499.785 6.029 50 40 JKGB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c(OC(=O)CCl)c(Br)ccc12 9943150 KJOQDAPBGWYUAM-UHFFFAOYSA-N 496.766 5.237 50 40 JKGB C[C@@H](Oc1ccccc1)C(=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 13098498 MOERVCNHMSPKDJ-IUUQDGFPSA-N 470.447 5.083 50 40 JKGB C[C@H](CC(=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1ccccc1 13114479 VPUOCQQMKKLHBC-ZXAKHJNPSA-N 468.475 5.810 50 40 JKGB C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 16712332 XFGAEWLWWKTEGN-YUMHPJSZSA-N 493.976 5.279 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OC(=O)CCCOc1ccc(Cl)cc1 27563449 YYQNCYDGGLXHLK-HMMYKYKNSA-N 482.363 6.831 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3ccccc3F)cc2Br)cc1 33762096 IBEOZVBHZXQKKA-PDGQHHTCSA-N 465.322 5.978 50 40 JKGB N#C/C(=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 95949629 FKOXTTQFNRXVHM-LCYFTJDESA-N 472.313 5.388 50 40 JKGB N#C/C(=C\Nc1cccc(C(F)(F)F)c1)c1nc(-c2cccc(Br)c2)cs1 100408140 RVTSSSANYKDDDQ-JLHYYAGUSA-N 450.283 6.568 50 40 JKGB COc1ccc(C[C@H](C(=O)N/N=C\c2ccc(N(CCCl)CCCl)cc2)c2ccccc2)cc1 104049615 MRFYCXGEJGKZQJ-IKVSSSITSA-N 498.454 5.456 50 40 JKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1C 108240420 RIIFPLYESONIBR-YBFXNURJSA-N 475.017 6.414 50 40 JKGB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](OC(=O)CCl)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@@]21C 118936169 JYFIEJVIHNYZAE-VGAXZYKLSA-N 463.146 7.868 50 40 JKGB C/C(CC(C)C)=N/O[Si](O/N=C(\C)CC(C)C)(O/N=C(\C)CC(C)C)O/N=C(\C)CC(C)C 169808795 HSOQMKFKSDAYLR-UAZYISNPSA-N 484.758 7.176 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCC 408538536 OMBJEBFTVWVPBT-XMHGGMMESA-N 471.395 6.353 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3cccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])c3)[nH]c2cc1C 408541484 BGJFUFZBRNXQQQ-LICLKQGHSA-N 478.430 6.963 50 40 JKGB Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1C 408610551 OCSUTJWUKWPDMI-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(-c2ccc(I)cc2)o1 408744667 ZFISJDYZHHWSJJ-MFOYZWKCSA-N 490.304 5.560 50 40 JKGB N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1cc(Cl)ccc1Cl 408756660 TVWSYOWDPPGNLA-BKUYFWCQSA-N 473.359 7.271 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Cl)cc1 408764482 IVQLPWYTXSREMD-LGMDPLHJSA-N 466.324 5.557 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(F)c1 408787924 HOPIKRQAGCLDRC-VCHYOVAHSA-N 485.342 6.656 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1cccc2ccccc12 408795561 MQPIZJIAVIOSDD-NLRVBDNBSA-N 476.576 6.926 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Br)cc1OCC#N 408798173 VCMGROLRJJFCBP-OVCLIPMQSA-N 474.742 5.258 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(OC)c1 408871831 XSGRGGPNKXRAPP-RGVLZGJSSA-N 491.931 5.944 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1 408887790 QUEQORLQDMDRHP-RPPGKUMJSA-N 486.380 5.956 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(C)cc1 408985070 UVRBDZMHKMETAW-LFVJCYFKSA-N 456.973 6.810 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1 409042740 OORAALBXMXDGEL-LZYBPNLTSA-N 492.189 7.425 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1cccc(C)c1 409190683 PSXDBIOULCHGDI-ODLFYWEKSA-N 469.379 5.311 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409212036 LLUJNVINCISEQA-VULFUBBASA-N 499.976 5.468 50 40 JKGB O=C(/C=C/c1ccccc1)Oc1c(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] 409223034 GAXATBVBZYDNJB-NKZCRQFGSA-N 484.295 5.284 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCC)c(OCC)c2)cc1OCC 409324818 VTAWEQNVDWIAID-MYYYXRDXSA-N 493.398 5.198 50 40 JKGB N#C/C(=C\Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2ccc(F)cc2)cs1 1296665 BIYRLGJLKYENPK-JLHYYAGUSA-N 457.408 6.051 50 40 JKGB O=C(c1ccccc1[N+](=O)[O-])[C@H](Br)[C@@H](Br)c1ccc(Cl)c(Cl)c1 1745342 WRNZXLQWFIZGCV-UONOGXRCSA-N 481.955 5.984 50 40 JKGB Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)C3=C(CCCC3=O)N2)c(C)c1 2310198 CEZYDUJXXKQHPI-VWLOTQADSA-N 471.626 5.721 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 9204327 FTCOIMHRFBYXDZ-LGJNPRDNSA-N 492.200 6.028 50 40 JKGB Cc1ccc(C)c(OCCOc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2)c1 9731055 CIFPTEGIGGEOAA-DEDYPNTBSA-N 481.379 6.614 50 40 JKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(Br)c3)o2)cc1 10059264 XSUXASGKJJKOBH-FRQJIFLKSA-N 455.352 5.752 50 40 JKGB O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 12467669 CZZKHFSUBDGMNS-WKULSOCRSA-N 479.363 6.255 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccccc1O 14134758 ASVTVFRLRPJGCC-WYMPLXKRSA-N 459.727 5.151 50 40 JKGB CC1=C(C#N)[C@@H](c2cc3c(cc2Br)OCO3)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 19830871 OWXPKWRWIKFOSM-LFVRLGFBSA-N 497.776 5.716 50 40 JKGB COc1ccc(C)cc1N(CC(=O)NN=C1CCC(C(C)(C)C)CC1)S(=O)(=O)c1ccc(C)cc1 20206818 NKGGWNCXPKKEJB-UHFFFAOYSA-N 499.677 5.216 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1cccc(Cl)c1 20760777 PLJQDJZOGOOMKZ-DHRITJCHSA-N 473.754 5.454 50 40 JKGB O=C(O)c1ccc(COc2ccccc2/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1 33333707 QFCXFXOBNOTGQM-ZMFRSBBQSA-N 493.313 5.236 50 40 JKGB Cc1cc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)n(-c2ccccc2)n1 33339688 IWTWFNQGYLIAAK-VBKFSLOCSA-N 463.324 6.293 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccc(Cl)cc1 33688178 NSHKCNSFRNHINZ-JFLMPSFJSA-N 465.937 5.040 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 33767774 KAVPNYDNAUYIEJ-RHANQZHGSA-N 489.571 7.308 50 40 JKGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 35315669 ZGMQMVWPLHQYJE-MXAYSNPKSA-N 458.301 5.173 50 40 JKGB COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4cccnc4)cc3[C@@H]3C=CC[C@@H]32)c1OC 36080579 KJQJADHHCWWEIR-SRUFBDJPSA-N 468.557 5.079 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1cc(Cl)ccc1Cl 58913012 PPLYWXKNHOHXOC-OPEKNORGSA-N 463.752 5.143 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1cc(Cl)ccc1Cl 59117396 NNOTXKDHFWHWPK-MHWRWJLKSA-N 471.727 6.412 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 59266441 SDXFTUPDFJPFBL-LDADJPATSA-N 497.776 6.236 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1ccccc1Cl 59447313 ABDICXZDZXORET-DHRITJCHSA-N 473.754 5.454 50 40 JKGB CCCCCCCCCCCC(=O)Nc1ccccc1C(=O)NNC(=O)COc1c(C)cccc1C 102039886 CSDAXEUCRPSXCP-UHFFFAOYSA-N 495.664 6.003 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)c2ccc(Br)cc2)c1C 408528420 HOUZLUAGVPIKRO-WQRHYEAKSA-N 452.308 5.838 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3ccc4ccccc4c3)cc2Br)cc1 408553072 WSPMTULREWBOGQ-OYKKKHCWSA-N 497.392 6.992 50 40 JKGB CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 408598498 BPGHLYLFEXUZPF-YBFXNURJSA-N 496.419 7.504 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 408741481 JEXDDQDGKZHQEX-ONUIUJJFSA-N 472.548 6.091 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2F)c(I)c1)C(=O)Nc1ccccc1 408742125 NEQKOJDSVOXYLC-PDGQHHTCSA-N 498.295 5.555 50 40 JKGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 408778672 WBWQUEBWEVZPSE-NSKAYECMSA-N 474.779 5.774 50 40 JKGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)cc2OC)c1 408805056 CVABVEABRANQOB-KWJZBXMYSA-N 472.541 5.076 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)cc1 408818720 YRFDZYXQKXQONN-BKUYFWCQSA-N 478.390 5.397 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)c(OC(C)C)c1 408835200 NBPHBAIDVLZPFU-HZHRSRAPSA-N 456.542 5.916 50 40 JKGB CCOc1cc(Cl)c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 408850563 CBBRYQJJADTERI-YVNNLAQVSA-N 451.704 5.020 50 40 JKGB COc1ccc(C(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2OC)cc1 408882714 QIVONLRFXAHPOO-LDADJPATSA-N 462.889 5.122 50 40 JKGB COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1OC(=O)c1ccc(C)cc1 408884202 WGSFPJILUIIDPJ-VULFUBBASA-N 491.594 5.075 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OC(=O)c1ccccc1 408886068 HSTZRJLCPXHALC-CPNJWEJPSA-N 491.341 5.613 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OCc1ccc(C)cc1 409022442 NZYWRSYXESVRAD-MBTHVWNTSA-N 462.933 6.136 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1F)C(=O)Nc1ccccc1Cl 409040088 FNJOYKZVOHHUBB-CXUHLZMHSA-N 475.734 6.911 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)c(Br)cc1OCc1ccccc1 409053198 MCSCMWDGZNHOOC-LGJNPRDNSA-N 487.781 5.762 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1cccc(F)c1 409135619 ZKIPMNAANISDQQ-JOCHJYFZSA-N 497.320 5.100 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(Br)cc1 409235576 CIOYOFQVNXYWEB-CJLVFECKSA-N 462.391 5.513 50 40 JKGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Br 409255065 XRLCUOYREPMOQW-XGHPXPSOSA-N 488.179 5.008 50 40 JKGB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1C 409261895 FEJXMMUNDVWKDC-VXLYETTFSA-N 496.350 6.600 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)c1 409265218 TUHHZOKHZDHPIK-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1OCC 409316955 NXMMLKJKFDBDRF-YKQZZPSBSA-N 494.563 5.755 50 40 JKGB Cc1ccc(/N=C/c2cc3c(cc2O)OC(N)=C(C#N)[C@@H]3c2ccc(Br)cc2)c(C)c1 1029885 BWVHIWDYFZKWCG-OHPKEMRTSA-N 474.358 5.740 50 40 JKGB COc1cc([C@H]2C(C#N)=C(SCc3ccccc3Cl)N=C3CCCC(O)=C32)cc(OC)c1OC 2227353 FPMJRZTXDKVOLT-QHCPKHFHSA-N 497.016 6.569 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1 3079900 JUEHDCQUNXSJMD-AFUMVMLFSA-N 488.550 5.795 50 40 JKGB N#CC1=C2N=C(N)c3c(sc4c3CCCC4)N2C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl 3669208 VCWPCKGOZQJHCZ-HXUWFJFHSA-N 495.435 5.999 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1O[C@H](C)CC 9259136 XFJQSGPERKBQBV-XNHPLOEXSA-N 465.981 5.663 50 40 JKGB COc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(OCc5ccccc5)c4)CC(=O)N3C2)cc1 9693511 DFJWUMCZALHDSO-RUZDIDTESA-N 483.593 5.494 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)c(C)c1 16713673 LRUGLOUWXGDRNU-LTGZKZEYSA-N 464.525 5.229 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 22567475 YSBLGLRAAKEVPA-LJQANCHMSA-N 459.849 5.116 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(-c3ccc(OCC)cc3)c2C(=O)OC)cc1 27563888 NJUGYGPLHFLNSW-HMMYKYKNSA-N 490.581 5.853 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 28216750 SLXOOBRURCBSDF-FCLYZYNOSA-N 460.430 6.173 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)cc(Br)c1OC 33335323 JTOHPKMEPPQZGI-MSXFZWOLSA-N 453.292 5.130 50 40 JKGB Cc1c(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 33352150 XGQVYHRBJNTOLG-NUJZUDFISA-N 476.363 6.815 50 40 JKGB CCCCOc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 100179463 OQCCZAQHSZSRBD-VKAVYKQESA-N 488.525 5.980 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc21 223513094 OIFHPCUSZHTKEJ-GRSHGNNSSA-N 468.428 7.258 50 40 JKGB Cc1c(/C=N/NC(=O)c2cccc(Br)c2)c2ccccc2n1Cc1ccc(F)cc1 408591550 UTXWXLZPICMJLA-MZJWZYIUSA-N 464.338 5.664 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1cccc(F)c1 408605751 NBBGIZKQEGTIGS-YBFXNURJSA-N 470.504 5.409 50 40 JKGB O=C(COc1ccc2ccccc2n1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1 408738153 QXWHLPJXVXJJCX-JFLMPSFJSA-N 490.357 5.105 50 40 JKGB CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)ccc1OCc1ccc(C)cc1 408749204 FNTGFKNWCTYAPA-RUMWWMSVSA-N 494.591 5.359 50 40 JKGB N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1 408763296 RYXVTDJJKGWMOU-NBVRZTHBSA-N 454.917 5.479 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 408793496 FNNRLMJMWMKWAR-CAOOACKPSA-N 489.761 7.219 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1C 408816135 SPKUFHAHLSEKGL-XSFVSMFZSA-N 459.933 5.520 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)Nc2ccccc2)c1Cl 408818709 QGLZYIZFCSZDMP-SDNWHVSQSA-N 470.312 6.052 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(OC)c1O 408842306 IXNDCWWMTRJSDJ-MUFRIFMGSA-N 498.608 6.069 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2F)c(Br)c1 408868610 PBKAAFQDNJHDPX-FYJGNVAPSA-N 463.350 6.287 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl 408882052 MYNQDZRZZNHIDH-VYYCAZPPSA-N 457.357 6.043 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)c(OC)c1 408885266 YSTLXHWJEYDFLZ-KEBDBYFISA-N 480.923 5.299 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2Br)c1 408886061 HQINWWGTHSWQQO-YDZHTSKRSA-N 489.413 6.807 50 40 JKGB C[C@H](Oc1ccc(/C=N/NC(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1)C(=O)O 408936749 FWVLAPPSWYOLGC-WNNLNQCFSA-N 461.562 5.234 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCC(=O)Nc1ccccc1 408941066 JPCNZXVOBOIGSG-MBTHVWNTSA-N 491.931 5.266 50 40 JKGB O=C(N/N=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1cc2cc(Cl)ccc2o1 409023216 YKTKVDUPEHTMRC-FXMZOFOKSA-N 491.733 6.875 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1 409044441 CEMPADWJWHQQDW-VXLYETTFSA-N 482.323 5.704 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OC)c1OS(=O)(=O)c1ccccc1 409068350 SGCYLJPTSXFKJO-CJLVFECKSA-N 488.565 5.046 50 40 JKGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1 409162540 WWHVQXSXQMGRBO-AFUMVMLFSA-N 457.755 5.374 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4F)c(OC)c3)cc2c1 409188083 WWFRICDEZGDFKZ-NUJZUDFISA-N 496.922 5.976 50 40 JKGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1c(C)n(Cc2ccccc2Cl)c2ccccc12 409258765 XOQBQJYDBSXARB-MZJWZYIUSA-N 476.920 5.332 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1C 409265867 URYCDXQLCCXLRQ-MOSHPQCFSA-N 489.959 5.610 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1OC 409309181 CRDZAUWVKRZGSS-RHANQZHGSA-N 478.520 5.141 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)ccc1OCc1ccccc1Cl 409365608 UXSNTQIURHLXRI-QRQIAZFYSA-N 450.966 5.573 50 40 JKGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2)cc1 409388221 VBCRMJNZDQSAHN-MOSHPQCFSA-N 450.336 5.124 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OCC)c1OCc1ccc(Cl)cc1Cl 409393346 QKMRMAYSYFTVCD-UUYOSTAYSA-N 482.382 7.903 50 40 JKGB CN([C@@H](c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1)[S@](=O)C(C)(C)C 1857795249 YCLRTNBFAFWZQH-ZBWWXOROSA-N 485.633 5.928 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccccc1F 1816866 UIZCWHCPDQXSAF-VULFUBBASA-N 471.989 5.485 50 40 JKGB O=C(NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1)c1ccccc1Br 1994739 DCULJQYKDZANSO-UHFFFAOYSA-N 498.178 5.579 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(N(C)C)cc1 2304123 ONRUBBLWHWJRRR-VULFUBBASA-N 479.378 5.433 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)sc(C)c1C 2372032 NUVUAOHAAPQQOD-JCMHNJIXSA-N 485.634 7.309 50 40 JKGB COc1cc(/C=C(\C#N)c2cccc(Br)c2)c(Br)cc1OCc1ccccc1 4196438 HLGJDAMGYSJRPR-VXLYETTFSA-N 499.202 6.863 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OCC(=O)c1ccccc1 6906914 XKLBOUXEVLBCNI-BKUYFWCQSA-N 486.980 6.798 50 40 JKGB CN(NC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 8763353 KWLKVYGLOZMFOK-UHFFFAOYSA-N 483.199 5.755 50 40 JKGB Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=N/NC(=O)c1c[nH]c2ccccc12 8878346 IJUUMTSFZBRQNV-NSKAYECMSA-N 460.752 5.445 50 40 JKGB CCC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccccc2C(F)(F)F)c(C(C)(C)CC)c1 12562129 NHBMCCLBEVBBRP-BIZUNTBRSA-N 490.610 7.390 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1sc2c(c1C#N)CCCC2 14151787 LAKNBEVLXNAYQA-CPNJWEJPSA-N 473.985 6.277 50 40 JKGB CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl 14923836 ZEMNQMUDZTVJEV-VEMXNMSTSA-N 479.364 5.200 50 40 JKGB O=C1N/C(=N\c2ccccc2Cl)S[C@]1(Br)[C@@H](Br)c1ccccc1 16477249 XPMFDKJJRUWEEV-XJKSGUPXSA-N 474.605 5.418 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 20197251 SSIOUUGRIZPCSN-WGOQTCKBSA-N 467.363 5.581 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1ccccc1Cl 28216951 KSVUTUDZNMWZGP-OCSSWDANSA-N 488.056 6.945 50 40 JKGB O=C(N/N=C\c1cccc(I)c1)c1cc(-c2ccccc2)nc2ccccc12 33362031 JOTVJLNCVIHRQP-MYYYXRDXSA-N 477.305 5.270 50 40 JKGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c1C 58927383 JTIBOLQTUBLSKN-UXHLAJHPSA-N 467.638 6.767 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)C(O)(c1ccccc1)c1ccccc1 59410640 GEKCSCBPEUMLKS-NDZAJKAJSA-N 470.956 5.305 50 40 JKGB C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccccc2)cc1 59436991 IEKUVATUWZVOGG-JFLMPSFJSA-N 456.329 5.165 50 40 JKGB O=C(N/N=C\c1ccc(OCc2cccc3ccccc23)cc1)c1cc(Br)ccc1O 83326963 MLVHENWOCRTQIM-DICXZTSXSA-N 475.342 5.651 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc(C)cc1 96936241 HXKLXHMIVYJZEN-MTJSOVHGSA-N 491.385 6.199 50 40 JKGB CN1/C(=C\P(=Nc2ccc([N+](=O)[O-])cc2)(c2ccccc2)c2ccccc2)C(C)(C)c2ccccc21 103441653 JJGRBCBYEOAYOO-IADYIPOJSA-N 493.547 7.348 50 40 JKGB C=CC[PH](CC[PH](CC=C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 104211618 GALFBPPIOHESDK-UHFFFAOYSA-N 482.588 6.160 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1nc2ccc(F)cc2[nH]1 408566627 ASFCTJOQQNSADO-SXGWCWSVSA-N 466.285 6.247 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccc2ccccc2c1 408567482 FGIQEKRXWLBXHH-UUYOSTAYSA-N 497.957 7.550 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1 408580457 BVRYZTHIYQSAPC-OEAKJJBVSA-N 455.941 7.154 50 40 JKGB Cc1ccc2nc(-c3ccc(-n4c(=O)c5ccccc5n5c(CCl)nnc45)cc3)sc2c1 408712714 KDVDQCNYKDQACC-UHFFFAOYSA-N 457.946 5.357 50 40 JKGB C/C(=N\NC(=O)[C@]1(C)NC2(CCCCC2)Cc2ccccc21)c1ccc(Br)cc1 408734263 MNKPTSHWKBMLCX-NWJFTTBMSA-N 454.412 5.053 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCc1ccc(C)cc1 408744987 ONOSPXNLLLDLSQ-MTJSOVHGSA-N 491.385 6.199 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2Cl)cc1 408745783 VODLZFCIMNNKLI-JAIQZWGSSA-N 451.353 6.735 50 40 JKGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)c1 408752359 DTWXKEYRHKOZLW-ODLFYWEKSA-N 478.346 5.189 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)cc1Cl 408771370 GCWZDUMZEPWISZ-JAIQZWGSSA-N 481.379 6.744 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)c(C)c1 408798318 HQUIGPFZMCITFT-RGVLZGJSSA-N 495.804 6.844 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1Cc1ccccc1Cl 408868866 POQJHRGTPZFRDZ-RGVLZGJSSA-N 451.353 6.447 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2F)cc1 408898966 YSKRTKIOGBPROC-CAPFRKAQSA-N 486.524 5.601 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccccc1)c1ccc(Cl)cc1 409001368 IAPINMDXKCOKDB-UXHLAJHPSA-N 497.938 5.575 50 40 JKGB Cc1c(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 409017303 YJUIKILFHBBIHZ-MUXKCCDJSA-N 486.915 6.070 50 40 JKGB C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1 409041503 JUNBUIPBKCZIIP-MDWZMJQESA-N 480.131 5.461 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1C 409078486 IIQSHURSOTYGLY-LDADJPATSA-N 458.430 5.458 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)c(Br)c1O 409234324 VNZVVBSTBDZQRS-CDCQXCROSA-N 494.183 5.100 50 40 JKGB Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Cl)c1 409270969 SHOAKGBLBPSDAO-ODLFYWEKSA-N 494.378 6.173 50 40 JKGB COc1ccc(-c2csc(N(NC(=O)c3ccc(C)cc3)C(=O)NC3CCCCC3)n2)cc1 1415272 FXPLINYNASSIES-UHFFFAOYSA-N 464.591 5.321 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccc([N+](=O)[O-])cc1 2079889 SJJNWUUWFLNDDU-RPPGKUMJSA-N 467.312 5.669 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccccc1C#N 2159685 AAIAILIHTOYWOQ-KCSSXMTESA-N 489.531 6.199 50 40 JKGB C=CCOc1ccc([C@H]2C(C#N)=C(N)N(Nc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1OC 2170042 QTWLTIDRJGUISM-VWLOTQADSA-N 470.573 5.023 50 40 JKGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 2553497 JPWODQJYMPBKMW-LICLKQGHSA-N 472.397 6.375 50 40 JKGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/C(Br)=C/c1ccccc1 2557707 GJNLPZMVCLVRGU-QOGRAVEKSA-N 458.208 5.765 50 40 JKGB COC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(OC(C)=O)cc3)cs2)sc(C)c1C 9130134 PJIVTBXROGPHMD-YBEGLDIGSA-N 453.545 5.177 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c(C)n1-c1ccc(Br)cc1 9203566 NUBCHUUPIDWAME-ZMOGYAJESA-N 489.211 5.312 50 40 JKGB COc1ccc2nc(/C(C#N)=C/c3ccc(-c4ccc(Br)c(Cl)c4)o3)[nH]c2c1 9263513 SDHBOPDMKZERSQ-MDWZMJQESA-N 454.711 6.312 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1cccc(Cl)c1Cl 9308841 NOSSFNQEAUHHIB-OAQYLSRUSA-N 489.362 6.181 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)O[C@H](C(=O)N(CC)CC)c3ccccc3)c2C)cc1 13095854 QUWDYNZZKSGUJC-KJANZVAVSA-N 499.611 5.553 50 40 JKGB Cc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3C(F)(F)F)NC3=C2C(=O)CCC3)cc1 20348387 QPYOYJSZFCOHOB-QHCPKHFHSA-N 497.542 5.815 50 40 JKGB N#C/C(C(N)=O)=C1/SC=C(c2ccc(-c3cc(Cl)ccc3Cl)o2)N1c1ccccc1 33339811 UMLIXAXAUYLYKY-JWGURIENSA-N 454.338 6.026 50 40 JKGB Cc1c(/C=C(/C#N)c2ccc(C(=O)O)cc2)c2ccccc2n1Cc1ccc(Br)cc1 35394875 ZBRXGVOPDWVHBN-STZFKDTASA-N 471.354 6.523 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(Cl)c(Cl)c1 58912957 YASVVQZAJUNGCK-OPEKNORGSA-N 463.752 5.143 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)ccc1OCc1ccccc1 59473330 KBOYHKHSZNQNCR-ZCTHSVRISA-N 496.632 6.472 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)cc1 107734425 TUTOGZCEDFUOCQ-XSFVSMFZSA-N 496.592 5.370 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cc2cc([N+](=O)[O-])ccc2s1 108065654 BLUYXBYWJDAFKC-LSHDLFTRSA-N 470.850 5.395 50 40 JKGB C[Si](C)(CCCNC(=O)NC1CCCCC1)O[Si](C)(C)CCCNC(=O)NC1CCCCC1 195813294 UCZUXUKJKHSXGA-UHFFFAOYSA-N 498.861 5.457 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl 408540127 NJSZJGZWENSFKY-YBEGLDIGSA-N 451.781 7.152 50 40 JKGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)cc1 408567328 LROVMMJDZIWSJW-AJBULDERSA-N 450.582 6.409 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1C 408568432 UDRPMZCBZZQPBF-MZJWZYIUSA-N 485.809 5.991 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1 408741142 KIARGNYPXNCVCZ-SFQUDFHCSA-N 474.429 5.240 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)c1 408745294 QXFRPRJUSIAWRS-ZDLGFXPLSA-N 499.767 6.675 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1 408763156 NRLKOOMTXCLKNY-SAPNQHFASA-N 477.314 5.223 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1cccc([N+](=O)[O-])c1 408793709 GAONPUWUVSSODV-LPYMAVHISA-N 471.513 5.735 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1cccc(Cl)c1 408799701 HPVAEMDKRWTWMG-RGVLZGJSSA-N 481.379 6.825 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(OCc2ccc(Cl)cc2)c1 408804199 DAZXRQSAAAAWKG-WOJGMQOQSA-N 453.325 6.127 50 40 JKGB O=C(N/N=C/c1ccccc1Br)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 408861156 OFSHKIYMJVEMKH-VUTHCHCSSA-N 490.445 5.668 50 40 JKGB CC[C@H](C)Oc1ccc2ccccc2c1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 408910008 INJSFFAMGWYSFQ-CQGIGXBHSA-N 452.554 5.403 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c(F)c1 408964997 FHIJRXSQAOJTBU-LUOAPIJWSA-N 487.274 5.255 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)c1 408991996 PSBKCDLVAUOKKX-SFQUDFHCSA-N 472.551 6.210 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1Cl 409145888 SJEYLXXDFANRAC-JOCHJYFZSA-N 471.340 5.396 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409222319 CJPHWWSBNLAWIJ-XSFVSMFZSA-N 473.504 5.096 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)c1ccccc1 409233802 XLUCGMRMHIHRTI-HSGPEQJXSA-N 496.350 6.265 50 40 JKGB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(C)cc3)cc2Cl)cc1 409270255 OGNSHPVNWHUBKV-WKIKZPBSSA-N 470.356 5.392 50 40 JKGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)cc(Cl)c3)=C2C#N)cc1Cl 409325584 ZKTOCZLZVFFRRH-HNNXBMFYSA-N 496.803 5.366 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 409378949 SSTXNQNQYWJNPB-GZTJUZNOSA-N 451.841 5.469 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1cccc(Cl)c1 1026377 VZILAHFGOGTEPF-HSZRJFAPSA-N 464.949 5.378 50 40 JKGB CC(C)(C)c1ccc(OCCn2cc(/C=C(\C#N)C(=O)NCc3cccs3)c3ccccc32)cc1 1254770 HRLVBDKQROEDFK-HEHNFIMWSA-N 483.637 6.303 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)NCCc3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 1887800 SRLFGLWZMUBVLV-HFVAWESISA-N 481.621 5.089 50 40 JKGB Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 1888184 FWRNHZYVDYRWPT-YDYXIROLSA-N 491.975 5.853 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3C)nc3c(C)cccn3c2=O)cc1 2193939 QKFBQMFYKQHNMR-CAPFRKAQSA-N 480.524 5.048 50 40 JKGB N#Cc1ccc(/C=N/NC(=O)c2cc(-c3cccs3)nn2-c2cccc(C(F)(F)F)c2)cc1 3306779 FOMFNLJEWRKKFR-CCVNUDIWSA-N 465.460 5.255 50 40 JKGB O=C(CCCSc1nc2ccccc2s1)NNC(=O)c1sc2ccccc2c1Cl 3341617 SCDWDHAPFLIVKG-UHFFFAOYSA-N 462.021 5.498 50 40 JKGB COc1ccc(C(=O)[C@H](Br)[C@@H](c2ccccc2)[C@@H](c2ccccc2)[N+](=O)[O-])cc1 4416981 QUHIKLXZWCRTRL-YPAWHYETSA-N 454.320 5.443 50 40 JKGB COc1ccc(C(=O)[C@@H](Br)[C@@H](c2ccccc2)[C@@H](c2ccccc2)[N+](=O)[O-])cc1 4416982 QUHIKLXZWCRTRL-BHIFYINESA-N 454.320 5.443 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 9057441 BQEMTXXYBSOWCB-UKTHLTGXSA-N 472.682 5.816 50 40 JKGB N#CCCn1cc(/C=C(\C#N)C(=O)OCc2ccc(Br)cc2)c(-c2cccc(Cl)c2)n1 9217207 MJSDGRZIRXYRJH-WOJGMQOQSA-N 495.764 5.530 50 40 JKGB CCc1ccc(N2CSC3=C(C#N)[C@H](c4c(OC)ccc5ccccc45)CC(=O)N3C2)cc1 9693486 VFUCALUNLJHELG-JOCHJYFZSA-N 455.583 5.630 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(F)cc3)C2=O)cc1 9909810 NSKPGYGQXXWQPY-NLTRVXJZSA-N 471.557 5.508 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3cccc4ccccc34)c3ccccc23)cc1 10315760 GNKOLGCCEANOQL-UZWMFBFFSA-N 475.592 6.243 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 11689767 AADRPBMIPJYSCJ-FMIVXFBMSA-N 496.932 5.093 50 40 JKGB C/C(=N\NC(=O)Cc1ccc(Br)c2ccccc12)c1cccc(Br)c1 15134856 LPMJFEVSLTYCFP-YDZHTSKRSA-N 460.169 5.448 50 40 JKGB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N/N=C/c1cccc2ccccc12 16526170 IDTQEEALYLCXEP-MUFRIFMGSA-N 498.995 5.435 50 40 JKGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccc(Cl)cc1Cl 16712384 LYROGVHKTAVCHF-RWPZCVJISA-N 497.407 5.325 50 40 JKGB CCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3[nH]2)cc1 16806257 RVLASLVIFNBWOR-SILNSSARSA-N 479.565 5.273 50 40 JKGB Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c1C 20243850 UZYJYXOWBFTKFK-SODVTCOWSA-N 498.490 6.245 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 33386365 FHTHFTGSBOONEX-ZHZULCJRSA-N 480.480 5.150 50 40 JKGB O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc(OCc2ccccc2)cc1 58980284 REFWOVDGVFHDEB-QNKGDIEWSA-N 486.571 6.762 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1 209280756 MYVYWVXJXYVNJY-WBRURWICSA-N 451.353 6.357 50 40 JKGB Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Br)cc3)nn2-c2cccc(C)c2)cc1 408725482 QBEGDGDETXNAHY-JVWAILMASA-N 473.374 5.683 50 40 JKGB N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1cccc(Br)c1 408760516 AABIYFGZFLMACG-PDGQHHTCSA-N 490.788 6.651 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 408788220 JFQUBKRBRGGBMC-XDHOZWIPSA-N 481.335 5.905 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(C)c1 408799032 XZKTYJDDPXAFNR-VXLYETTFSA-N 477.904 5.690 50 40 JKGB C=CCOc1c(CC=C)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 408854459 GFCGKWWBMMDKKC-YSMPRRRNSA-N 483.362 5.651 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cc(C)cc(C)c2)cc1 408878329 AJLPGHFKXCPKRD-HYARGMPZSA-N 460.961 6.480 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2Br)cc1 408883373 UFKIHGJMDOOUNN-KGENOOAVSA-N 479.805 6.801 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1Cc1cc(C)cc(C)c1 408885105 XOCLKCMRRYDBMC-YDZHTSKRSA-N 458.989 6.800 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1cccc2ccccc12 408898506 LXVBACJEGNSUIF-HMMYKYKNSA-N 482.923 6.267 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCC(=O)Nc1ccccc1C 409009108 BKZBOYPXBWYQDH-ZCTHSVRISA-N 495.579 5.257 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)c(Cl)c1 409132621 JOMLUUDFEFQDRD-HSZRJFAPSA-N 484.383 5.311 50 40 JKGB O=C(O[C@@H](C(=O)c1ccccc1)[C@H](Br)c1cccc([N+](=O)[O-])c1)c1ccccc1 409205987 UKENXMFRRARYJD-TZIWHRDSSA-N 454.276 5.139 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 409252231 CVFVCAFRQMCUOC-NDENLUEZSA-N 459.933 5.520 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 409267090 SIACHBAYRVPMDK-VYYCAZPPSA-N 486.355 5.174 50 40 JKGB Cc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1 409363446 LWBKZHGQMFYRBQ-DHRITJCHSA-N 457.755 5.754 50 40 JKGB COc1ccccc1C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 409368077 MTUVFTFSUOVTKD-LQKURTRISA-N 489.369 5.954 50 40 JKGB Cc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(F)cc1Cl 650873 ULUUJLVDRIWUBH-NRFANRHFSA-N 472.969 5.879 50 40 JKGB O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1cc2c(ccc3ccccc32)o1 2159434 IXMFDGKJBVOJRF-AUEPDCJTSA-N 488.135 5.581 50 40 JKGB Cc1ccc([C@H]2C(C#N)=C3N=C(N)c4c(sc5c4CCCCC5)N3C3=C2C(=O)CC(C)(C)C3)cc1 2185972 NMYXLYANJXSMJX-QHCPKHFHSA-N 482.653 6.027 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1cccc(OC(=O)c2ccccc2Br)c1 3116328 NEVFCJKRFBOULG-OGLMXYFKSA-N 487.353 5.514 50 40 JKGB Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)P(=O)(c2ccccc2)c2ccccc2)cc1 3177662 HEXVKORREFWBCD-AREMUKBSSA-N 479.513 5.125 50 40 JKGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN(c1ccccc1)c1ccccc1 3257059 GSJNOZFLZHIYJU-UHFFFAOYSA-N 477.593 5.896 50 40 JKGB Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 3661516 MZFRWOKGHPGERS-MUFRIFMGSA-N 471.944 5.469 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1OCc1ccccc1 9057391 GXSQKZINPSMVKM-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2c(OCc3ccccc3C#N)ccc3ccccc23)cc1 10476057 GCIHDONBLDGRRG-ZCTHSVRISA-N 463.537 5.382 50 40 JKGB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccs2)C(C#N)=C(SCc2ccc(Cl)cc2)N1 12250343 HOCVMIKARPJBHP-DEOSSOPVSA-N 492.069 6.978 50 40 JKGB O=C(NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)Nc1cccc(C(F)(F)F)c1 13149209 WJDLZUPDRJQRLG-UHFFFAOYSA-N 485.491 5.341 50 40 JKGB C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)c1ccc(Cl)cc1Cl 13562654 QMTMHAIKMDOHRQ-LQKURTRISA-N 470.356 5.707 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(-c2cccc(Br)c2)o1 13602523 UHZTZFJLIQDRAT-JVWAILMASA-N 475.342 5.905 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(C)c2O)ccc1OCc1cccc2ccccc12 13896212 YCRFAHSNTUGNQY-STBIYBPSSA-N 454.526 5.595 50 40 JKGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 20158534 YQYKTHNYQKBIAK-NGVBTRAHSA-N 495.988 5.314 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 20197882 KXINHDPUJNBWPP-JFLMPSFJSA-N 457.357 6.125 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2ccc(C)c(Cl)c2)cc1 20207137 KQNDLHUZDBZIEC-UHFFFAOYSA-N 476.042 5.369 50 40 JKGB CC(C)(C)[C@]1(Cl)C(=O)C(Cl)=C(Cl)/C(=N/C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1Cl 26787307 WEAZOAIXOCOVEX-UHTICBODSA-N 452.121 5.079 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Cl)cc1 28216320 QLQGVTCDTJBUSC-OPEKNORGSA-N 450.753 5.583 50 40 JKGB COc1cc(N2CCCCC2)c(OC)cc1/C=C(\C#N)C(=O)Nc1sc2c(c1C#N)CCCC2 33423196 TZZPQUGLIZKZNP-LDADJPATSA-N 476.602 5.052 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1-c1cc(Cl)ccc1Cl 33632858 UNNZQTUWJSLFDS-YBEGLDIGSA-N 492.378 7.261 50 40 JKGB Cc1ccc(-c2ccc(/C=C(\C#N)Sc3nc4ccccc4s3)o2)cc1Br 33694489 AKDNNOHISWJMFZ-LFIBNONCSA-N 453.386 7.284 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cccc(Cl)c1Cl 33717324 GZLLVMVUJXQCTE-RPPGKUMJSA-N 476.747 5.315 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccc(F)cc1 33764561 IICUJHKOPWZLFU-YVLHZVERSA-N 456.286 6.379 50 40 JKGB C/C(=N/NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1cccc2ccccc12 35316671 VBRHGCKIYFLGOB-SNCSUOKWSA-N 470.572 7.240 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 58913211 OJGUWLVQGBOELF-KBKYJPHKSA-N 477.779 5.452 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Cl)c3Cl)C3=C(O)CCCC3=N2)cc1 104083444 IYLVVFIQDHQXOV-QFIPXVFZSA-N 498.435 6.943 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1Cl 207162403 ISUJGKUNTWQRSX-MFOYZWKCSA-N 498.322 6.035 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Cl 408538949 RXSRFGCRTOBQHK-ZHZULCJRSA-N 459.417 7.587 50 40 JKGB O=C(O)c1ccc(Cn2cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)o1 408543186 NBJXPPBMUCTOLH-KIBLKLHPSA-N 456.285 5.052 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1 408570159 SFGJWMQPXMSGEU-MZJWZYIUSA-N 491.560 5.504 50 40 JKGB Cc1nc2sc3c(c2c(=O)n1-c1cccc(C(=O)N/N=C\c2cccc(Cl)c2)c1)CCCC3 408730404 GADYBQVGBMLKLM-VYYCAZPPSA-N 476.989 5.052 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1 408758318 ITSZIGLRMXWNGN-JXAWBTAJSA-N 497.370 5.071 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408789463 LBZOKRRGLXWHPZ-UNOMPAQXSA-N 496.394 6.193 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Cl)c1OCc1ccccc1 408880206 GMYBWRAJOLGUPL-VULFUBBASA-N 487.781 5.844 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl 408941905 QUUFCMRIACFDMJ-NSKAYECMSA-N 498.197 5.797 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 409039715 DDBKRCQHYSSZQB-XMHGGMMESA-N 475.932 5.302 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 409131456 VVLHKJWAUWSVFM-OAQYLSRUSA-N 457.288 5.635 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)cc2c1 409186325 AKIKYVIXRMACHI-RHANQZHGSA-N 451.526 6.156 50 40 JKGB O=C(/C=C/c1ccc(Cl)cc1)Oc1c(/C=N\NC(=O)c2cccc3ccccc23)cccc1[N+](=O)[O-] 409224199 KCAPPJAJWSVZNU-HUOBAMSCSA-N 499.910 5.784 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1 409258095 TVIIIXBRMRKGIE-GZTJUZNOSA-N 466.324 5.557 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OC)c1OCc1ccc(Br)cc1 409393338 QIILWUXDQBITBH-XKZIYDEJSA-N 478.361 6.968 50 40 JKGB CCc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 2219667 JMBLBEHRINBHRG-UZEPBSNMSA-N 467.594 5.622 50 40 JKGB N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2286339 KNDPFQVLMGZPTJ-VLVOFSMPSA-N 472.438 5.353 50 40 JKGB Cc1cc(Cl)ccc1NCc1nnc(S[C@H](C)C(=O)N/N=C/c2ccco2)n1-c1ccccc1 2740350 RFKMKUDHYSOPBG-HDFIIFABSA-N 495.008 5.065 50 40 JKGB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)N/N=c2/sc3ccccc3n2C)cc1 3311507 ZYSPFGDYVDERMC-PBBVDAKRSA-N 470.623 5.513 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc4ncc(Br)cc4[nH]3)o2)cc1 5920807 OKYISNKMBNZWKO-OQLLNIDSSA-N 463.291 5.221 50 40 JKGB CC(C)c1ccc(N/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1 9065499 AXUWCMBMDVFBHZ-SFQUDFHCSA-N 458.499 5.925 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1c(C)n(Cc2ccccc2Cl)c2ccccc12 9311507 KUSCFYFTBHXZEZ-MOSHPQCFSA-N 474.391 7.159 50 40 JKGB COc1ccccc1C(=O)NC1=C(C#N)[C@H](c2ccccc2Cl)c2c(ccc3ccccc23)O1 13940926 ZLSSXYNBMPFHRP-VWLOTQADSA-N 466.924 6.191 50 40 JKGB Cc1c(Cl)cccc1N(CC(=O)NN=C1CCCCCCC1)S(=O)(=O)c1ccccc1 20058229 VPVZQXLQLIFHCI-UHFFFAOYSA-N 462.015 5.060 50 40 JKGB C=CCc1ccc(OCCOc2c(Cl)cc(/C=C(\C#N)C(=O)OCC)cc2OCC)c(OC)c1 27835071 WCGWVYOJHBKRJK-DEDYPNTBSA-N 485.964 5.404 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 28216531 WSKIGTWFKBRAPX-WJNWYLSZSA-N 490.854 6.141 50 40 JKGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(OCc2ccccc2Cl)c1 32520535 BCBBBIWEXOMCLW-DHRITJCHSA-N 450.951 5.038 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 33364140 CNROUWNNZJQTMD-KQWNVCNZSA-N 456.948 7.530 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(OC)c1 33534210 UQOSGAOBRYBERH-MUFRIFMGSA-N 474.944 5.853 50 40 JKGB N#CC1=C(N)O[C@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl 35183006 HUXGBZDILHAPAC-GJYPPUQNSA-N 453.251 5.182 50 40 JKGB C/C(=N\NC(=O)CC1(C)OCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 58917410 TVDQNCSTZMDVOS-TTZNYCCQSA-N 465.981 5.160 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1Cl 59117296 JRMMVDSGJRVTKE-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c(C)c1 59145785 HOUNQESFPQHULX-VXLYETTFSA-N 485.798 7.388 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Br)cc1 59282082 ASOPGTJFAYQBQK-RCCKNPSSSA-N 461.359 6.136 50 40 JKGB C[C@@H](/N=N/c1ccc([N+](=O)[O-])cc1)[P+](N=S(C)(C)=O)(c1ccccc1)c1ccccc1 100824566 RKPLZKZCZNWPNP-FTGFMQHASA-N 455.500 5.336 50 40 JKGB COc1ccc(/C=C\C(=N\NC(=O)N/N=C(/C=C\c2ccc(OC)cc2)C(C)C)C(C)C)cc1 104304566 XWIYUBIKBZDADU-CMIVXAGASA-N 462.594 5.754 50 40 JKGB Cc1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 229854081 YQDGDAILSZLFGK-GBLYOKOSSA-N 495.988 6.850 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC 408539520 WXRDICJLLIEPQB-AQTBWJFISA-N 487.394 5.971 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1nc2ccc(F)cc2[nH]1 408568347 STYVBLYDDHXZDW-CHHVJCJISA-N 472.734 7.305 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccc2ccccc2c1 408570048 RSEOUKMPMRORST-QRVIBDJDSA-N 463.512 6.897 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccc(Cl)c(Cl)c1 408585130 ATLXTESLIOQRKM-ZDLGFXPLSA-N 459.170 7.399 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N[C@H](C)c1ccccc1 408602191 AZRAUXQIIPIVSN-QTCOBDOFSA-N 466.541 5.282 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 408725584 KVKGYMDJJVTRMR-ZHZULCJRSA-N 473.485 5.127 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2c(OC(=O)c3cccc4ccccc34)ccc3ccccc23)cc1 408758475 KOPQZDXVYGSHBF-CLCOLTQESA-N 482.539 7.066 50 40 JKGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Br)cc2)c(Br)c1 408777309 YEFGTVKMZACOTP-SXGWCWSVSA-N 478.184 5.222 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1C 408794981 KUWPNMJSJOQFSB-VXLYETTFSA-N 469.343 6.874 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(Cl)cc1OC 408823197 NADWTLQQCZGUMF-YKQZZPSBSA-N 487.987 6.277 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Cc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1 408865741 DWHLRDSPSSNUQP-LDADJPATSA-N 469.741 6.378 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)c1 408882001 PKGROKDXHXMDQH-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1ccc([N+](=O)[O-])cc1 408891995 WXERCNPBQZNVQF-OGLMXYFKSA-N 469.497 5.490 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 408895395 MRASERUHMJWUPB-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cc(C)cc(C)c1 408899733 QQSHBBZXMVQLLM-WSDLNYQXSA-N 460.961 6.399 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1C 409016919 UGWRWWILYGSDIW-UVHMKAGCSA-N 470.356 5.392 50 40 JKGB COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 409038053 UMRDWUFDAVJTMS-MZJWZYIUSA-N 450.325 5.981 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2Br)cc1 409070681 GJTWVZAFKQGLNK-SFQUDFHCSA-N 494.370 5.466 50 40 JKGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc(OCc2ccccc2)cc1 409184313 KIHAHGHHNYYKRZ-UXHLAJHPSA-N 464.590 6.219 50 40 JKGB CCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OCC 409310231 SLPKGWBMJKKSHW-RHANQZHGSA-N 496.991 5.879 50 40 JKGB Cc1cc(Br)ccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1 409315510 VWDXGDLBRQYQEJ-INIZCTEOSA-N 490.810 5.122 50 40 JKGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 409383002 SOPMPGSXPKQIGF-ODLFYWEKSA-N 495.333 5.032 50 40 JKGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c(O)c1 409392938 UHEWSNXFQZMZGL-RPPGKUMJSA-N 475.328 5.059 50 40 JKGB COc1ccc(C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 2077269 MKODGIKGEUJNEJ-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB O=C(N/N=C/c1cccc2ccccc12)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 3176340 HWVZHJSTBQWDKX-KUFLNJEKSA-N 465.578 5.378 50 40 JKGB COc1ccc(/C=C2\SC(=S)N(/C=C(/C#N)C(=O)c3ccc4ccccc4c3)C2=O)cc1OC 8665309 DIJOXUCFKHURBM-RYVVDRKKSA-N 486.574 5.349 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2OC)ccc1OCc1ccccc1 8812614 YPQOACOFLSIJCD-CVKSISIWSA-N 483.362 5.199 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1 9259714 IMHVJQKGDOHBPN-NLRVBDNBSA-N 455.561 6.951 50 40 JKGB CCCCCCOc1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2)cc1 9553313 BSWPKKFDPPMMLL-YYDJUVGSSA-N 484.596 6.649 50 40 JKGB Cc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(Br)c4)CC(=O)N3C2)cc1Cl 9693437 UNQGLIWXRJIVMH-QGZVFWFLSA-N 474.811 5.630 50 40 JKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C1/S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1 13660084 ZVIFZAKZKQVENH-DJGFJIGHSA-N 488.012 6.022 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)Nc1cccc(Br)c1 15012681 WWCIOWHHEYKBDK-XDHOZWIPSA-N 477.314 5.272 50 40 JKGB C/C(=N\NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)c1ccc(OC(F)F)cc1 15910667 OBNKNRLZEYSKLS-UXHLAJHPSA-N 466.528 6.319 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1cc(Cl)cc(Cl)c1 28217442 PCUSCYBYOJOVFE-YSURURNPSA-N 465.724 5.726 50 40 JKGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1C 32180692 JJQLNZOPVVLDRN-UNOMPAQXSA-N 478.346 5.409 50 40 JKGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1c(OCc2ccccc2Cl)ccc2ccccc12 33581737 XVLVFSFIYQTSED-NTFVMDSBSA-N 473.916 5.673 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C\c1cc(C)n(-c2ccc(-c3ccccc3)cc2)c1C 33683717 FJGMFWOVGGHCNO-RGXNXFOYSA-N 473.576 6.687 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1ccc(Cl)cc1 35374827 JBZVAZBHDFGSFP-OVVQPSECSA-N 482.053 6.045 50 40 JKGB Cc1ccccc1N1CCN(C(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)cc3)o2)CC1 36610887 KDQFSFNFALCGDB-SILNSSARSA-N 476.374 5.273 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(c1ccccc1)c1ccccc1 59410829 WACSTEZTRBJAKF-FDAWAROLSA-N 489.402 6.855 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC 59474928 XHXBDRPALNWHJQ-WQRHYEAKSA-N 455.352 5.575 50 40 JKGB N#CC1=C(SCC(=O)c2ccc(Br)cc2)N=C2CCCC(O)=C2[C@H]1c1ccco1 102305349 XVYPJUDBXXSIGZ-HXUWFJFHSA-N 469.360 5.928 50 40 JKGB aggregator CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)cc2C)N=C2CCCC(O)=C21 104129329 BFXLFUHIZYLHSP-AREMUKBSSA-N 487.625 6.343 50 40 JKGB O=C(N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)C(=O)Nc1ccccc1F 408611006 PIQVOEUCDWNNNM-LUOAPIJWSA-N 494.737 5.454 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c1C 408691629 JGBHTXHXCUXXJY-RPPGKUMJSA-N 489.801 5.081 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccccc1F 408742570 AVXVVWDOZRQLLU-ODLFYWEKSA-N 450.897 5.921 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)c(C)n1-c1ccc(Cl)cc1 408769603 WSDVORXFBNEGCO-NSKAYECMSA-N 485.198 6.237 50 40 JKGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 408773715 WUYJZBDTINYSNL-SGWCAAJKSA-N 477.630 5.028 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1cccc(Cl)c1 408801560 VTJDSUPGOABYED-RQZCQDPDSA-N 469.324 5.832 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccc(Br)cc1 408808686 QUQANCPQKQWTQD-LTGZKZEYSA-N 483.365 6.727 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1cccc2ccccc12 408811749 OFRVKOBCEGMFLI-RHOWTMNOSA-N 476.576 6.602 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl 408835988 OYFAWJZEUVSHPK-CPNJWEJPSA-N 467.352 6.517 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc(Cl)c1O 408838760 HZUBYKGJTYOGIB-UVHMKAGCSA-N 492.988 5.994 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)ccc1Cc1ccccc1Br 408868231 OMMWESGMLUJGDK-KGENOOAVSA-N 491.385 5.993 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1Cc1cc(C)cc(C)c1 408870868 UYAOFCGMWJFNHS-KEBDBYFISA-N 498.932 7.121 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OC(=O)c1cccc2ccccc12 408878404 BCANQLFTVQFJDU-HKOYGPOVSA-N 498.538 6.766 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Br)c1)C(=O)Nc1ccccc1F 408879478 GLHZCXBPOSESSB-LICLKQGHSA-N 485.740 6.366 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccccc1Br 408888708 ZKDXFQQXNTXJHQ-DEDYPNTBSA-N 495.804 6.790 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OC(=O)c1ccc(C)cc1 408895466 KQZYGRYNDJJXQA-VUTHCHCSSA-N 467.525 5.168 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1cccc(F)c1 408962828 JUHWMCFNWDVKQI-IPPBACCNSA-N 460.427 5.586 50 40 JKGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(-c2csc(Nc3ccccc3)n2)cc1 409034183 PQRWEITXNXQVMR-LQKURTRISA-N 464.550 6.176 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OS(=O)(=O)c1ccccc1 409069133 VFASATVPOKKIJQ-CJLVFECKSA-N 488.565 5.046 50 40 JKGB COc1cc(/C=N\NC(=O)c2cccnc2)c(Br)cc1OCc1cccc2ccccc12 409085195 RNYGSWASQXLSNX-MBTHVWNTSA-N 490.357 5.349 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccc([N+](=O)[O-])cc1 409202733 RSOTYVYNFFEOEW-UYRXBGFRSA-N 482.277 5.843 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2[C@H]1c1ccc(-c2ccc(Br)cc2)o1 664768 LZWBEOPDJAAUDY-QGZVFWFLSA-N 465.332 5.379 50 40 JKGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(-c2c(Cl)cc(Cl)cc2Cl)s1 703644 QSUWTJOAZQJHFX-KRWDZBQOSA-N 451.762 6.190 50 40 JKGB C/C(=N\NC(=O)c1ccc(C(=O)N/N=C(\C)c2cccc3ccccc23)cc1)c1cccc2ccccc12 8398827 PKQAUAVKSUOGHU-WXGDAXOSSA-N 498.586 6.301 50 40 JKGB CCOC(=O)c1ccc(COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2OC)cc1 9187309 QBYAGMMCQBBSLM-KGENOOAVSA-N 453.498 5.391 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(Br)ccc1OCc1cccc(F)c1)OCO3 9296363 JQWWIYNUKPZAIP-HSZRJFAPSA-N 495.304 5.114 50 40 JKGB CCn1c(SCC(=O)N/N=C(\C)c2ccccc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 9762542 HURDZBNOANNUJJ-WGOQTCKBSA-N 470.042 5.548 50 40 JKGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3Cl)C(C(C)=O)=C(C)N2)cc1 13055495 RAWRUPPQLYOVDP-DEOSSOPVSA-N 482.005 5.396 50 40 JKGB Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)C3=C(CCCC3=O)N2)c1 13174486 CZGIIMSEHNAQGG-RUZDIDTESA-N 457.599 5.413 50 40 JKGB N#C/C(=C/Nc1ccc(Cl)cc1Cl)c1nc(-c2cccc(Br)c2)cs1 13774344 YPJDANVRWGUWPK-XFXZXTDPSA-N 451.176 6.856 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 14134314 YWFUVHHEZANAKJ-DHRITJCHSA-N 473.754 5.454 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 15012347 GOQUGHVOBZVAQR-ODLFYWEKSA-N 467.352 6.435 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)C(=O)Nc1ccccc1F 20530200 LHOQLCCFLOPXCX-XSFVSMFZSA-N 456.908 5.937 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccccc1 23217650 IQHVXDNNVKJGMC-PXLXIMEGSA-N 469.541 5.265 50 40 JKGB COc1ccc(C(=O)COc2ccc(/C=C(/C#N)c3nc(-c4ccc(C)c(C)c4)cs3)cc2)cc1 33470792 VXMRRGHVMZJFRH-IWIPYMOSSA-N 480.589 6.761 50 40 JKGB O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cc2cc([N+](=O)[O-])ccc2s1 33762426 XQYVSHIWWFTNFV-LSHDLFTRSA-N 470.850 5.395 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 59225058 OEZIOOWAAGMEKE-XSFVSMFZSA-N 474.391 7.104 50 40 JKGB Cc1ccc(/C=C(/C#N)C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)cc1 67321622 FXTNDRZPXFXGSK-BHUSUMKSSA-N 457.577 6.725 50 40 JKGB COc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(C)c1 107604130 ICISPZRUPLKBDR-NTFVMDSBSA-N 457.530 5.347 50 40 JKGB CC(C)N1c2ccc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2[C@@H](C)CC1(C)C 223544713 QTEVYBIWJIATQI-YSGZUTGPSA-N 454.596 5.338 50 40 JKGB N#C/C(=C\c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1)C(=O)Nc1ccccc1 408553980 XVNKFUPDEXYVBG-GZTJUZNOSA-N 466.324 5.557 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)c1ccc(Cl)cc1 408579017 CIYCEDTVYOMOON-CIAFOILYSA-N 464.779 8.443 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408583221 SMZVCXPFCQUVKL-LDADJPATSA-N 484.430 6.877 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 408793412 FIXJTUGFXYWUBQ-YBFXNURJSA-N 491.887 5.159 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1Br 408833583 TUGWVOBJDUXXBC-DEDYPNTBSA-N 477.358 5.891 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1 408848955 SZONZTTZHNFWQS-ZMFRSBBQSA-N 494.345 5.153 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 408852200 DELSKWLZPCJRNJ-LQNQUEJISA-N 498.535 5.601 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1)c1cc2cc(Br)ccc2o1 408859745 ZHDFXPAIWANHEW-YVNNLAQVSA-N 499.233 5.036 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OCC 408898811 NBNIHIOQOCSJPJ-OQLLNIDSSA-N 463.759 5.754 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1cccc(F)c1 408983301 LGMWDOJRIBXFEF-HYARGMPZSA-N 460.936 6.641 50 40 JKGB N#C/C(=C\c1ccc(SCC(=O)Nc2ccccc2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 408992432 RWXXJJTYZLQFKD-GZTJUZNOSA-N 492.944 5.525 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)cc1C 408994240 YKYRIULEIJINNP-LDADJPATSA-N 486.578 6.518 50 40 JKGB O=C(COc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1Cl)Nc1ccccc1 409024383 RQHZUHFJESDJCK-WKIKZPBSSA-N 482.323 5.521 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1OCc1ccc(F)cc1 409070799 MCCRAUWNSJLBGB-XQNSMLJCSA-N 486.543 6.086 50 40 JKGB Cc1ccc(COc2c(Cl)cc([C@H]3C(C#N)=C(N)N(C)C4=C3C(=O)CCC4)cc2Cl)cc1 409126484 ONUWTOLPPITNTR-QFIPXVFZSA-N 468.384 5.611 50 40 JKGB CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)o1 409189136 DDWQSJFYYOEALJ-RPPGKUMJSA-N 475.328 5.348 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCCOc1ccc(Cl)cc1 409205838 GEUXJXQHNBDPBE-XMHGGMMESA-N 482.989 5.481 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Cl)cc1Cl 409259014 WZJHJHYWFXLDPW-ODLFYWEKSA-N 494.378 6.173 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Cl)c1 409268777 AGYBKJZDSMFAJQ-LPYMAVHISA-N 473.960 5.198 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1OCC 409321430 GMOOZVGTQTVDCR-MIXAMLLLSA-N 476.573 5.534 50 40 JKGB CC(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)C3=C(O)CCCC3=N2)c1 1288033 HJOVCSBDSFJUMI-VWLOTQADSA-N 471.582 5.839 50 40 JKGB CCCCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(CC)s3)c3ccccc3n2)c1 2109886 UCHDEXBTXLFGQU-MTDXEUNCSA-N 457.599 6.469 50 40 JKGB CC[C@H](C)c1ccc(OCCn2c(C)c(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 8986211 OBVFCKHQJNOWAT-ARCUFYBBSA-N 479.580 7.515 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 9909820 UMPOPSUABSYACQ-YMGIJWJESA-N 457.530 5.199 50 40 JKGB COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccc(Cl)cc1 13551588 UZUGCKHKBUZJQE-DEDYPNTBSA-N 481.943 5.631 50 40 JKGB CCCCCOc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 13617220 WTRZZUOOELHCOZ-BUVRLJJBSA-N 486.688 5.642 50 40 JKGB N#C/C(=C\c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1)c1ccc(Cl)c(Cl)c1 13757014 SYRCGAUFQYRVTK-MDWZMJQESA-N 459.741 6.941 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c1OCc1c(F)cccc1Cl 13892657 GIKOVNCNTUCSQG-SFQUDFHCSA-N 480.879 5.311 50 40 JKGB COc1ccc(-c2ccc(/C=N\NC(=O)c3cc4c(ccc5ccccc54)o3)o2)c([N+](=O)[O-])c1 16215685 NGXWYRMOGNOAPV-WGARJPEWSA-N 455.426 5.527 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2cccnc2)c(C)c1 16805156 JVSNVELTHFYYDU-JJIBRWJFSA-N 491.595 5.645 50 40 JKGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1Br 33731234 MMMKVHVEZPKZFM-CAUYNWHBSA-N 455.352 5.552 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCC(=O)c1ccccc1 33932611 GBQNQRNYJNRVEO-OEAKJJBVSA-N 466.562 6.453 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)cc1Cl 33933640 HPCRLNBJCYZBHZ-XMHGGMMESA-N 482.996 7.265 50 40 JKGB N#CC1=C(N)O[C@H]2[C@H](C(C(F)(F)F)=NN2c2ccccc2)[C@@H]1c1cc(Cl)ccc1Cl 35183010 GRJUKLJTUXBPKT-GJYPPUQNSA-N 453.251 5.182 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1 59117035 JMPRVPDQNVWXBL-YBFXNURJSA-N 481.777 6.536 50 40 JKGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)cc1 108265624 YAFRSWLSRSHFOL-RDRPBHBLSA-N 450.542 5.483 50 40 JKGB CCCCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 408538715 PRJPOBUYCAUZQJ-SFQUDFHCSA-N 450.888 6.864 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 408725127 HHGFYVPBOVFXNS-HMAPJEAMSA-N 471.513 5.735 50 40 JKGB N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccccc1Br 408754244 JKCJILXECYQBHB-PXLXIMEGSA-N 483.365 6.727 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1 408794764 SWGAKUULSRIBHL-LPYMAVHISA-N 475.386 6.499 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)NCCc1ccccc1 408820587 XALQPRPBJZQEJF-HKOYGPOVSA-N 466.968 6.338 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Br)cc1 408851955 OFKWHKSUMRCWNE-NTFVMDSBSA-N 489.369 6.267 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1Cc1ccccc1Br 408865729 DLEMKYJODAQNBV-FYJGNVAPSA-N 461.359 5.903 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Cl)c1)C(=O)Nc1ccccc1F 408870649 WXKGNPKGHZGPTA-WOJGMQOQSA-N 469.741 6.378 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)c1OCc1cccc2ccccc12 408883170 TZIIQPQRAQZMAE-CJLVFECKSA-N 478.504 5.671 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1OCc1ccc(Cl)c(Cl)c1 408885740 FURIDQNSVRJFOB-WKULSOCRSA-N 479.363 6.498 50 40 JKGB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)o2)c([N+](=O)[O-])c1 408892990 DOEBGTYCTBNMCR-XYOKQWHBSA-N 458.257 5.716 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 408926269 WQLBYAWBNRMQOP-HMMYKYKNSA-N 473.359 7.271 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2cccc(F)c2)cc1Cl 408992205 SJKGATMQABZBOF-ZDLGFXPLSA-N 499.767 6.675 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(Sc2cccc3cccnc23)o1)c1ccccc1 408993867 XOWPOLDZNAKHKE-YLNVQIAQSA-N 488.569 5.307 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OC 409032143 JBEUVDJJQRDMFC-OGLMXYFKSA-N 486.597 6.115 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OC)c1OCc1ccc(F)cc1 409072722 DBZTXVSSANAJSO-HZHRSRAPSA-N 456.517 5.996 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cn(Cc4cccc(C(=O)O)c4)c4ccccc34)cc2c1 409187300 OQPGRISSVFOMNQ-FDVSRXAVSA-N 481.508 5.297 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 409189618 LQSWCCFSCNBVDQ-NDENLUEZSA-N 485.411 6.275 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=N\NC(=O)Cc2ccc(F)cc2)c1 409234744 XXVUJFCGCSMVDS-WGARJPEWSA-N 455.327 5.168 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409268041 YYXOUPHASCTGSI-WKIKZPBSSA-N 486.355 5.092 50 40 JKGB Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)c2C)ccc1Br 409375144 GFYRHUFOPVUMHQ-PDGQHHTCSA-N 450.336 5.416 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccc(Br)cc1F 867488 KMAGNHYGQMZZGY-SFQUDFHCSA-N 465.278 5.353 50 40 JKGB S=c1sc2ccccc2n1CCSSCCn1c(=S)sc2ccccc21 1714843 CGGOWLWTNIXFIZ-UHFFFAOYSA-N 452.742 7.260 50 40 JKGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C)cc3)C3=C(CCCC3=O)N2)cc1 2210517 OHHCWOJARHTQIG-VWLOTQADSA-N 457.599 5.358 50 40 JKGB N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2233899 FXUZWMRYKPTCJO-CKVBZJJFSA-N 477.948 5.544 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)ccc1OCc1ccccc1 6906959 PBGWGANVKIRAQJ-MTJSOVHGSA-N 469.522 6.370 50 40 JKGB CC(=O)C1=C(C)NC(SCc2cccc(Br)c2)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-] 8742104 XNQAYQSPBZRHNH-NRFANRHFSA-N 484.375 5.576 50 40 JKGB N#CC(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)/C(O)=N/c1ccc(Cl)cc1[N+](=O)[O-] 9057421 MRLBRHWLKRIQMY-YRNVUSSQSA-N 473.228 6.265 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1cc2ccccc2nc1Cl 9090610 WPCKLFUSDPXFKA-LDADJPATSA-N 480.911 6.056 50 40 JKGB Cc1ccccc1C(=O)N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12 9201261 CWOKCGDXTISJDK-VULFUBBASA-N 493.348 5.367 50 40 JKGB CC(C)(C)c1ccc(OCc2ccc(C(=O)NN=C(Cc3ccccc3)Cc3ccccc3)cc2)cc1 15912353 YICXJYFINYBVAK-UHFFFAOYSA-N 490.647 7.134 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 20197255 IPEAJXYIUXMMAA-JFLMPSFJSA-N 457.357 6.125 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccc(F)cc1 33460222 SFVABRJMKWIGTP-OCSSWDANSA-N 472.516 5.729 50 40 JKGB O=C(O)c1cccc(Cn2cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c3ccccc32)c1 33656472 FIMACRFBELQYDH-UVHMKAGCSA-N 498.520 5.275 50 40 JKGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1Cl 58913555 RSURSVSUFPANRX-KBKYJPHKSA-N 493.778 5.152 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 59281472 WRGVAVQFAQQBTA-XMHGGMMESA-N 497.894 6.166 50 40 JKGB Cc1cccc(OCC(=O)N/N=C\c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)c1C 67196982 DZEJQNHHOGJMCX-MRUKODCESA-N 451.737 6.053 50 40 JKGB C[C@H]1CN(c2ccc(NC(=S)P(=O)(c3ccccc3)c3ccccc3)cc2)C[C@H](C)O1 95676390 UWARWWPGGWACSH-PMACEKPBSA-N 450.544 5.011 50 40 JKGB Fc1ccc(/N=N/c2ccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 97983178 SWUOYBOGRRYSSB-ULIFNZDWSA-N 475.507 8.050 50 40 JKGB COc1cc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1OCc1c(Cl)cccc1Cl 103591638 HURJNWBWNKBBCQ-WUXMJOGZSA-N 474.296 6.108 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 107583657 MQVKLGARPZUBTR-KCSSXMTESA-N 478.523 6.484 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)c1ccccc1F 107653845 GOCPWRQUUHPKAF-BOPFTXTBSA-N 473.260 6.213 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@H]1[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]12 170621506 SHGQHJXEYIXIDA-WPFAILKGSA-N 467.572 6.307 50 40 JKGB Cc1ccc(CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)c(Br)c3)c2C)c(C)c1 216047309 ZHNIJTGJKBKXQP-WGARJPEWSA-N 452.396 5.475 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)Sc1nc2ccccc2[nH]1 408599260 RBIZKEMMRCWWOF-RCCKNPSSSA-N 467.981 7.605 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccccc1F 408676085 FBLCMAUGYGZFCM-RDRPBHBLSA-N 461.537 5.168 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 408726060 OLBRUWJVRFPTQW-BKUYFWCQSA-N 457.486 5.345 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1c(C)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 408744971 OGIHKMSRERAOMJ-QNGOZBTKSA-N 450.498 5.760 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)c1 408794434 SFYCMPLOAGNMJW-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OCc2c(C)ccc3ccccc23)c1 408801678 VESXGJMARSQCSW-HYARGMPZSA-N 493.519 6.190 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Cl 408804195 CZWGDXSNTRJOCG-PXLXIMEGSA-N 452.941 6.926 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1Cc1ccccc1Cl 408878248 YVEURBAKPUATFK-WOJGMQOQSA-N 469.343 6.668 50 40 JKGB Cc1cc(NC(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)ccc1Br 408904952 QYHHOPNCVXRRND-FSJBWODESA-N 470.327 5.229 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccc2ccccc2c1 408966422 LNIQVIDKBGCGFL-IBBHUPRXSA-N 487.918 5.855 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 408980419 QVFWOSBZJGJYOF-MRAZWZEMSA-N 479.964 5.247 50 40 JKGB O=C(N/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O)c1ccc(Br)cc1 409081260 PHJJGIFCUAAWHV-WGARJPEWSA-N 453.380 5.386 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Br)ccc1OCc1ccc(F)cc1 409139300 ACIWZKRJFGBWQW-QFIPXVFZSA-N 467.294 5.091 50 40 JKGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 409177355 FEFXAZJXRRTYEU-AMVVHIIESA-N 487.943 5.363 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(Br)c(C)c4)c3C)cc2c1 409186649 GAEJERDZGNZNPB-VYYCAZPPSA-N 494.389 6.074 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccc(Cl)cc1 409222242 BFHMLELQCTTZAM-XSFVSMFZSA-N 489.959 5.610 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1cccc(F)c1 409391966 KOVNLXMLTAIKFD-ZDLGFXPLSA-N 487.166 6.994 50 40 JKGB CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 2671120 VKJAITBCQZOJHP-XDJHFCHBSA-N 459.458 5.357 50 40 JKGB COc1ccccc1-c1nnc(SCC(=O)C(C#N)=C2Nc3ccccc3N2)n1C1CCCCC1 4036735 QLBZUWJKBBQSGA-UHFFFAOYSA-N 486.601 5.393 50 40 JKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1OC 8763835 JKDUHTSREYYIGN-FYJGNVAPSA-N 461.587 5.776 50 40 JKGB CCCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(SC)cc2)/C(=C\c2ccc(SC)cc2)C1 13739275 RMDXCEMHNIWKNP-POWJVNAZSA-N 475.683 6.001 50 40 JKGB N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 13769104 CXLDKRGMOTWJPM-SCIJIFGBSA-N 461.493 5.030 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@H](C)SCc3ccccc3)c2C)cc1C 20243852 FBWVCTFYDOHALN-SODVTCOWSA-N 498.490 6.245 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 33766023 MUYFVPRMOKCHLG-KSEXSDGBSA-N 470.912 7.053 50 40 JKGB Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 59117333 VGIBQWXNXREFCO-QGOAFFKASA-N 451.309 6.067 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 59920872 CLJZMGWVOGJQMN-RPPGKUMJSA-N 477.731 5.639 50 40 JKGB Clc1nc(SSc2nc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl 98002610 ZCWPPTRLOQMXGD-UHFFFAOYSA-N 495.882 8.503 50 40 JKGB CC1(C)[C@@]2(C(Br)Br)CC[C@@]1(C(=O)Nc1ccccc1F)[C@@H]2Br 100868662 FDSGYGIVCKMGRA-RLCCDNCMSA-N 498.028 5.450 50 40 JKGB CCCCCCCCOc1ccc(/C=N/NC(=O)[C@@H](O)c2ccc(Br)cc2)cc1 101659563 IHJHBBRDKJDQCT-ALAMRGAJSA-N 461.400 5.372 50 40 JKGB CCN(C(=O)c1ccccc1C)[C@H](c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 104168627 ZAWONOMPQVDMJT-LJAQVGFWSA-N 453.522 6.170 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=C(/C#N)c3ccc(Br)cc3)c3ccccc32)c1 408542055 JRLGGNUOERCJEN-STZFKDTASA-N 471.354 6.303 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccccc1F 408549774 YVPCPMLKAUBWCQ-CFRMEGHHSA-N 457.932 7.674 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccccc1 408579395 GVSDOVSAPZEQBP-XDHOZWIPSA-N 484.371 5.598 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2)cc1OC 408580305 ODXJLVXAHSCFID-UDWIEESQSA-N 450.332 6.109 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1OCC 408719673 JNQOTHJHMCNCPM-YDZHTSKRSA-N 465.413 5.020 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(Cl)c1 408740065 IEHSYENAMSYIAJ-WGARJPEWSA-N 462.893 5.680 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2Cl)c(Cl)c1 408740722 LWJGJZJOZXTJEW-KIBLKLHPSA-N 455.172 6.472 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc2ccccc2c1 408794984 KSDCXXYRCQMCPI-BUVRLJJBSA-N 482.967 7.017 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 408796990 QQDFBVBRKDNEFA-VCHYOVAHSA-N 485.342 6.656 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(Cl)c2)cc1 408799201 YGLLNUBXSWHZBF-BUVRLJJBSA-N 482.967 7.017 50 40 JKGB O=C(N/N=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1cc2ccccc2o1 408811081 KZTIFVAVCFHAMA-PPDIBHTLSA-N 457.288 6.222 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(c1ccccc1)c1ccccc1 408820153 VQDMOMLDFMSLQU-BIZUNTBRSA-N 477.995 6.625 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1Br 408828752 NWFKUAKIJKUCIB-LDADJPATSA-N 497.776 6.236 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cccc2ccccc12 408878593 CCSDJGHILNLHFB-WKULSOCRSA-N 493.346 6.138 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408879545 FCQQYJYAJQBKBM-RQZCQDPDSA-N 468.296 6.026 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccccc2-n2cccc2)c1OCc1cccc(Cl)c1 408895970 OPWVNAOWRKSLAW-OGLMXYFKSA-N 459.933 5.482 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1c(Cl)cccc1Cl 408896932 OZFUWIZXCBJDMY-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1 409016555 DOUKHYBIFJVGLC-UHFFFAOYSA-N 480.052 6.812 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 409044764 DDWZYWDQGHWQFO-CXUHLZMHSA-N 454.744 7.166 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc(C)cc1 409218243 ZODLEKPDXQNHLK-JAIQZWGSSA-N 479.330 6.318 50 40 JKGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 409366373 UQWHHWAZPWLACQ-FJEPWZHXSA-N 478.379 6.288 50 40 JKGB COc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)c(C)c3)C2=O)cc1 2335275 QOVLCFUCSQMTIO-SJCFVWOQSA-N 497.620 5.685 50 40 JKGB CCc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1 2338180 DLRMVOIOWNNNHE-SSDVNMTOSA-N 463.053 5.289 50 40 JKGB O=C(N/N=C/c1ccc(O)c(O)c1)c1ccc(OCc2ccccc2)cc1OCc1ccccc1 3088849 ZCGXOEMMCWXNJI-STBIYBPSSA-N 468.509 5.020 50 40 JKGB N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc(-c3ccccc3)cs2)[C@H]1c1ccc(F)cc1 12273702 GSGAEBBOTKDRLE-QHCPKHFHSA-N 480.593 6.721 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 12586042 FBWQXBDRPMUVGA-RQZCQDPDSA-N 457.744 6.771 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1ccc(Cl)cc1Cl 13586143 KTYQQVVJXPGKKW-MZJWZYIUSA-N 457.357 6.043 50 40 JKGB O=C(CSc1nnc(-c2ccccc2)o1)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 14760856 WQCWUHXVOAVUHW-RWPZCVJISA-N 482.487 5.915 50 40 JKGB CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 20175497 APQVVVSYHTULMM-RIYZIHGNSA-N 483.284 5.811 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccccc2Br)c2ccccc2n1Cc1cccc(C#N)c1 20761146 KWHHUNHRCMYSRX-RWPZCVJISA-N 471.358 5.396 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 33383139 UPKHDIBKRASFCO-MSXFZWOLSA-N 484.939 7.443 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1ccccc1 33605328 HSJLVLOPULJMSW-AFUMVMLFSA-N 461.499 5.161 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccccc2)cc1)C(=O)Nc1cccc(I)c1 34982929 IOQYIJBBSZIJAG-GHRIWEEISA-N 466.278 5.629 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 59335742 FZLZWGVOALWPOO-XYGWBWBKSA-N 496.563 5.945 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)ccc1OCc1ccccc1 59473604 RUOIQBVYJSTXTD-AJBULDERSA-N 496.632 6.721 50 40 JKGB N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1ccc(Br)cc1 96476352 JXPUGPRWDZGERN-LCYFTJDESA-N 471.694 5.606 50 40 JKGB COC(=O)c1ccc(COc2ccccc2/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1 96767552 ZXYLDMQCXNEDFR-IWIPYMOSSA-N 454.526 5.523 50 40 JKGB COC(=O)c1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc4ncccc34)cc2)cc1 97993138 KDAREMLPILFYBC-JWGURIENSA-N 463.493 5.146 50 40 JKGB CC(=O)c1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(O)CCCC3=N2)c1 104159550 NVRHVRFSWNRBHY-XMMPIXPASA-N 492.000 6.184 50 40 JKGB CCOc1cc(C(=O)Cl)cc(I)c1OCc1cccc(Br)c1 226327577 SHHMWLNIBRSZIO-UHFFFAOYSA-N 495.538 5.410 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 252498693 RIPWKSPHDJTKCP-XNTDXEJSSA-N 464.365 6.838 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccc(Br)cc1 408542968 MKABVEONBFJSRL-NDENLUEZSA-N 464.315 5.799 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1Cl)c1ccc(Cl)cc1 408581423 WLDPGZDWJISOQD-WOJGMQOQSA-N 459.170 7.399 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1Cl 408592623 ZUDQFIPXLGALGO-RWPZCVJISA-N 493.788 6.599 50 40 JKGB O=C(N/N=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)c1ccc(N2CCCC2)cc1 408677036 OPNVKJUDAISICT-NDZAJKAJSA-N 494.551 5.691 50 40 JKGB COc1cc(/C=N\NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1OCc1ccc(Cl)cc1Cl 408718748 FCIIGKDETAEHNI-JCCFOUAOSA-N 461.389 5.857 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(Br)c1 408753564 GKVMMSBDIDPWFN-PDGQHHTCSA-N 467.750 6.227 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)ccc1OCc1cccc2ccccc12 408754210 JCFDRJYAHANGAH-LFVJCYFKSA-N 478.548 6.372 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccccc1 408765316 PAWBGMJHYADSBX-UNOMPAQXSA-N 467.352 6.517 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br 408788567 DNPLUDKLKIEWGU-MDWZMJQESA-N 452.135 5.866 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccccc1C#N 408790446 WITDFAGAXHGJLU-SSDVNMTOSA-N 471.944 5.962 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccccc1 408810483 KTBBLYPHTNRUTP-RSZPVBOMSA-N 451.353 6.357 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408820037 SRSFZBRKBHWRGY-WKIKZPBSSA-N 478.888 5.136 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2ccc(C(C)C)cc2)cc1 408860053 RJWDFKPYGUMJRJ-UHFFFAOYSA-N 469.651 5.530 50 40 JKGB N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408865509 CQONLXYNMDBSPP-PCLIKHOPSA-N 496.969 7.195 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C)c(C)c2)c(Br)c1 408870439 DQMXUROPEKDMJG-OEAKJJBVSA-N 489.413 6.753 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cccc(F)c1 408895473 KSMZMIPOUQOMEQ-RPPGKUMJSA-N 461.276 5.124 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(C)cc1 408897490 XIAFLKURWIXMAB-MZJWZYIUSA-N 471.340 5.684 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c1OCc1cccc(Cl)c1 408898496 WIUPUONUJUJWAE-SFQUDFHCSA-N 487.770 6.780 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)c(C)c1 408906518 CIMPXSXOHRGTOE-NDZAJKAJSA-N 453.586 5.788 50 40 JKGB CC[C@H](C)Oc1c(Br)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC 408965030 FMMTYVQXQYWOSH-JBBSTVMTSA-N 473.289 5.418 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2o1 408966166 NCBQFFXFLLBSTM-LGJNPRDNSA-N 483.440 5.016 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1ccc(Br)cc1F 409018750 UCHFVYKKWMMYQZ-RAWMCFOBSA-N 488.744 6.159 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1OCc1ccc(C(=O)O)cc1 409187130 MMNABVHUAXJKAA-OCSSWDANSA-N 497.551 5.144 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)N/N=C/c3cccc(OCc4ccccc4Cl)c3)CC2=O)cc1C 409252336 RWOOKLJHOQVJII-RUEQZMELSA-N 475.976 5.039 50 40 JKGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C2C#N)cc1 409313173 HXHBUZCASWQRRT-HNNXBMFYSA-N 495.910 5.078 50 40 JKGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c1 6193888 GHKCKPABOKYXCY-LGJNPRDNSA-N 484.463 5.857 50 40 JKGB COc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3C)C2=O)cc1 9451798 CFQJYWXORZVTIG-RAMZYJDASA-N 483.593 5.377 50 40 JKGB O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 15945814 GCLJABVCXSCREA-WKULSOCRSA-N 472.928 5.494 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3c(C)cccc3C)c2C)ccc1Br 33631292 CXDXLDIAIQFBBF-MXAYSNPKSA-N 453.384 5.938 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12)C(=O)Nc1ccc(O)cc1 33696951 GZWPRZSXOQOHSW-QNGOZBTKSA-N 464.477 5.368 50 40 JKGB CC(C)(C)c1ccc(-c2cc(C(=O)NN=C3CCN(Cc4ccccc4)CC3)c3ccccc3n2)cc1 55082678 HHBXIGPRFFFTHG-UHFFFAOYSA-N 490.651 6.581 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccco2)cc(Br)c1OCc1cccc2ccccc12 59425694 QBLIPRIYLIDSRE-VULFUBBASA-N 479.330 5.547 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c([N+](=O)[O-])cc1OCc1ccccc1 59432914 HKDZPHPBAJPJRT-CIAFOILYSA-N 457.486 5.345 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccccc1F 408545258 XBAIIVUGGDMSDQ-NDENLUEZSA-N 460.461 5.047 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 408598488 BKOVZVFMPGDOIJ-BRJLIKDPSA-N 474.300 5.253 50 40 JKGB COc1ccc(Cl)cc1NC(=O)COc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1 408602198 AZVDOXBQQVFVKJ-XDHOZWIPSA-N 486.959 5.923 50 40 JKGB COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2C)c1 408745550 NTAFCPBTOIVOHC-WQRHYEAKSA-N 468.340 5.733 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(I)cc1 408764594 XQFBFTUPDHMUPO-UYRXBGFRSA-N 480.305 5.416 50 40 JKGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br 408791989 GHNADYXFDAJIQW-IZZDOVSWSA-N 470.548 5.419 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccccc1C#N 408796158 OGRCGIIZOBMHGH-WGOQTCKBSA-N 477.564 6.119 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2ccccc2)cc(C)c1OCc1ccc(Br)cc1 408856536 QHSMWGOYAIMONL-YSMPRRRNSA-N 451.364 5.338 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(Cl)c2)c(OC)c1 408881959 NDEVIHSKCFWKRE-VCHYOVAHSA-N 493.903 5.390 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2cc(Br)c(OC)c(Br)c2)c(C)c1 408907950 QMRNVFCFMHBDKR-FSJBWODESA-N 498.215 5.010 50 40 JKGB C=CCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2cccc(C)c21 409047835 NJOUFOJZWIUJEW-DXJNIWACSA-N 458.565 6.423 50 40 JKGB O=C(N/N=C/c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12)c1cccc(Br)c1 409065478 SOYRARBAJOXVSS-LUOAPIJWSA-N 499.727 5.741 50 40 JKGB Cc1[nH]nc2c1[C@@H](c1ccc(OCc3cccc4ccccc34)c(Br)c1)C(C#N)=C(N)O2 409139880 PDAJJXLNICOOCL-QHCPKHFHSA-N 487.357 5.431 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 409229642 SFLSIBMROFSGEF-MNDYBZJGSA-N 481.354 6.558 50 40 JKGB CCOP(=S)(OCC)Oc1nc(-c2ccccc2)nc(C)c1Oc1cccc(C(F)(F)F)c1 2143710 UIFRWMQWIBXWHT-UHFFFAOYSA-N 498.463 6.939 50 40 JKGB CC(C)(CCl)C(=O)Nc1ccc(-c2nnc(-c3ccc(NC(=O)C(C)(C)CCl)cc3)o2)cc1 2144577 GKMPCKRRCHNJKT-UHFFFAOYSA-N 489.403 5.811 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccccc2Cl)c2ccccc12 2805829 KUSCFYFTBHXZEZ-DEDYPNTBSA-N 474.391 7.159 50 40 JKGB Cc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccc(Br)cc3)CC(=O)N2)c(C)c1 3202822 KSHHJCKFDGXYRF-GOSISDBHSA-N 455.377 5.021 50 40 JKGB N#C/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)NCc1ccc(Cl)cc1 3244017 LKEJONOCTRNJRN-CLCOLTQESA-N 463.968 7.033 50 40 JKGB CCCCCCCCCCC(=O)N/N=C(/C)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 8398634 DXSLGFCGBHGXNE-FSGOGVSDSA-N 490.475 7.617 50 40 JKGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1cc(Cc3ccccc3Cl)ccc1O)CO2 8721743 NVERHGUKFYXODZ-GBTJHXGGSA-N 478.976 5.224 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1cccc(Br)c1 9355336 BIYKGSNWIRLAOR-ZMOGYAJESA-N 488.179 5.555 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)cc1 12560344 WBSOGOCKXCLARZ-UEXAXGIKSA-N 473.576 6.425 50 40 JKGB CCC/C(=N\NC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1ccc(C)s1 20581210 VWPOVJLHPZJBGL-QCWLDUFUSA-N 455.627 7.329 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 26123771 USUJTWZORPHNLL-CVKSISIWSA-N 483.362 5.199 50 40 JKGB CC(C)(C)[C@]1(Cl)C(=O)C(Cl)=C(Cl)/C(=N/C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1Cl 26787316 WEAZOAIXOCOVEX-PJVNKMEESA-N 452.121 5.079 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1)Sc1nc2ccccc2s1 33657524 KTUHEXIQFZXZDZ-YBFXNURJSA-N 469.418 7.839 50 40 JKGB O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 33736433 QLOMPTQNSQOCRG-ZRGSRPPYSA-N 476.747 5.428 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1ccccc1 35074669 DNWPCQMAFKRRDZ-NDENLUEZSA-N 488.385 6.676 50 40 JKGB N#CC1=C(SCC(=O)Nc2cccc(Cl)c2Cl)N=C2CCCC(O)=C2[C@@H]1c1ccco1 102565529 KBQLVKGHDKSXEF-IBGZPJMESA-N 474.369 6.228 50 40 JKGB CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@@H]3[C@@H]4C[C@@H]5[C@@H]3C(=O)O[C@@H]5[C@@H]4Br)cc2)cc1 102653125 ZPOPXAWDGVHMBH-PMHZBBCSSA-N 484.390 5.286 50 40 JKGB O=C(OOC(=O)[C@@H]1CC2c3ccccc3C1c1ccccc12)[C@@H]1CC2c3ccccc3C1c1ccccc12 104251462 QCTDIGVPRFGRLR-DEGGAKRUSA-N 498.578 6.582 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 107816255 LDDATOGTQBIRGQ-WOJGMQOQSA-N 493.922 5.359 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl 408580795 RTAHYTLYSHLXHL-CXUHLZMHSA-N 459.716 7.198 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)c2C)cc1 408774616 CFNKVHPAEJPPMD-UUYOSTAYSA-N 463.541 5.279 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)c(C)c1 408793374 FDLQSLWZFKMCMK-KOEQRZSOSA-N 455.561 7.005 50 40 JKGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12 408800779 QWAAOGRKYWVVCX-RMOBQLPBSA-N 476.418 6.054 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 408805633 BDSWNAPTZPEKFS-GIJQJNRQSA-N 471.771 7.080 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1Br 408808506 PYFFZSFLZRICEL-BGLILYLNSA-N 482.216 5.378 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 408823716 OOFOHRUIQPFATJ-PTNGSMBKSA-N 487.806 6.955 50 40 JKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(C)cc2)cc1 408836913 WXWPLSLHFHNUNT-NCELDCMTSA-N 476.576 7.062 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(C)c1OCc1ccc(Br)cc1 408848923 SSMQMMGZDFIILZ-DEDYPNTBSA-N 479.349 6.330 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1cccc(I)c1 408890307 REDRMLOZJZHYJJ-ZMOGYAJESA-N 490.728 5.288 50 40 JKGB COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1Cl 408890864 HPKJUOMAQQKYRG-XNWCZRBMSA-N 461.088 5.763 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Br)cc1 408922787 GOFZIDFBIVNSJW-GZTJUZNOSA-N 465.307 5.311 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cc2cc([N+](=O)[O-])ccc2o1 408964084 FRRYXYFTVPVNJK-YVNNLAQVSA-N 499.233 5.036 50 40 JKGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc2[nH]c3ccccc3c2c1 408978047 GUIBGUXSRJJDNR-WSFYNJOLSA-N 460.537 5.333 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1 409055545 JCXABGMIQDTSKB-LZYBPNLTSA-N 475.734 6.911 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409056164 KXYYFZWICZOGCE-WOJGMQOQSA-N 493.922 5.359 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 409073428 YTEYXLUWLQENFW-LFIBNONCSA-N 475.309 5.733 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409092577 XCMHVNCWKNVXTE-SFQUDFHCSA-N 467.403 6.260 50 40 JKGB O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccc(Cl)cc1Cl 409267850 YAWDPPBISJPXMB-SSDVNMTOSA-N 457.155 5.015 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(OC)c2)cc1OCC 409305731 XALSXQNIUQFKMX-RHANQZHGSA-N 478.520 5.141 50 40 JKGB COc1cc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(Cl)c(Cl)c1 409372181 LYSTYGQZBWFOJY-FQEVSTJZSA-N 460.361 5.759 50 40 JKGB COc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 409372430 LSGCBBARRJXLIV-DHRITJCHSA-N 473.754 5.454 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 940881 PNQPXXOUCCLZIU-XMHGGMMESA-N 480.593 5.274 50 40 JKGB Cc1ccc2c(c1)[C@]1(C(=O)N2)C(C#N)=C(N)N(c2cccc(C(F)(F)F)c2)C2=C1C(=O)CC(C)(C)C2 1422433 JQEGXBGLTMWIHU-SANMLTNESA-N 492.501 5.061 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)OC(C(C)(C)C)=C2C#N)ccc1OCc1ccccc1Cl 1476197 NQWGYNHZHJUSQO-QHCPKHFHSA-N 463.965 5.949 50 40 JKGB Cc1ccc(N(C(=O)Nc2cccc(Cl)c2)C2=NC[C@@](C)(CBr)S2)cc1 2361533 OFSPTPLSHQBJAS-LJQANCHMSA-N 452.805 5.943 50 40 JKGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1Oc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 2561851 OVYVCTJPDXZZEZ-DEDYPNTBSA-N 485.315 5.488 50 40 JKGB N#CC1=C(N)Oc2c(c(-c3ccco3)nn2-c2ccccc2)[C@H]1c1cc(Br)cs1 2789492 QCMHMSNXBMRUPL-QGZVFWFLSA-N 465.332 5.174 50 40 JKGB O=C(N/N=C/c1cccc(Oc2ccccc2)c1)C1CCN(Cc2ccc(Br)cc2)CC1 8780790 OYVFLASQZMBRQU-MTDXEUNCSA-N 492.417 5.604 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2C)c1C 8812777 XOJUUPUJAWWNRR-BRJLIKDPSA-N 474.786 5.591 50 40 JKGB Cc1ccccc1C[C@H]1S/C(=C(\C#N)C(=O)c2c[nH]c3ccccc23)N(c2ccccc2)C1=O 11851794 UTYXTEIWCRQRMZ-YKMWHWIESA-N 463.562 5.786 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)C(C#N)=C(SCc2ccc(C#N)cc2)N1 12632972 RYHLWNLEQIWWFF-UHFFFAOYSA-N 454.599 5.993 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 13388140 UNIVNWFFEDJAFT-WOJGMQOQSA-N 495.894 5.911 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)c1 27460926 VJQUMSOOOFPVTA-OGCOBRASSA-N 453.567 5.368 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1cccc(Br)c1 28216526 SXHDFLNTMYHDQH-WJNWYLSZSA-N 490.854 6.141 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1Cl)Nc1ccccc1F 33560872 NZNROOYGPNPGBM-MUFRIFMGSA-N 490.922 5.051 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OC)c1OCc1ccc(Br)cc1 33745083 NYOHSAXGFFZXGC-STZFKDTASA-N 478.361 6.968 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1OCc1ccc(Cl)cc1Cl 33803383 GZDWAFPUEVSPOS-BOPFTXTBSA-N 498.322 6.035 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@@H]1[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]12 34694773 XGMRBSIJVDWHQT-JVVMDBNWSA-N 467.572 6.433 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 41074229 IGDUKCULFHCJEB-GZTJUZNOSA-N 467.403 6.260 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1Cl 59920995 IIQYPQZGOUKOOR-IPPBACCNSA-N 476.882 6.100 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)NCCc1ccccc1 136834906 CUWKWBKKMSHKEP-CJLVFECKSA-N 484.397 5.718 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Cl 408538496 NVIXKCHVQDIXFS-KGENOOAVSA-N 473.444 7.895 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)c1ccc(Cl)cc1Cl 408580041 MRSWBVIOKULJDG-CXUHLZMHSA-N 477.160 7.538 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408582399 NTOLSAFRSIUWMD-YBFXNURJSA-N 484.777 6.763 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3Cl)c2C)cc1 408742655 XOQMCHDTRXZIEO-MUFRIFMGSA-N 458.993 6.227 50 40 JKGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2)cc1 408765065 WDXCBGFJKFCEGS-RDRPBHBLSA-N 467.525 5.020 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c2C)sc2c1CCCC2 408780831 LRVHZAXNIAMNSD-PDGQHHTCSA-N 494.016 6.020 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c(C)c1 408791939 FNOHSRLLNIGEED-RGVLZGJSSA-N 461.905 5.990 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(I)cc1 408812290 SDGJYQREGQUVHJ-AQRZYSDFSA-N 495.364 5.483 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2 408820839 ZKHSZLCCRFCEQY-UNOMPAQXSA-N 451.517 6.989 50 40 JKGB COc1ccccc1C(=O)N/N=C/c1cc(C)c(OCc2ccc(Cl)cc2Cl)c(C)c1 408851644 FAGSVGWYCABIFW-UVHMKAGCSA-N 457.357 5.962 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccccc1F 408853522 PAYKNGOEQFYXNS-MUXKCCDJSA-N 466.896 5.967 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1OCc1ccc([N+](=O)[O-])cc1 408871387 YPVIWHZSECUIRP-KGENOOAVSA-N 457.486 5.290 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(I)c1OC(C)C 408885179 YCZQHSKOZQADCI-OQLLNIDSSA-N 494.304 5.162 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=N/NC(=O)c3ccc(C)cc3Cl)cc2Cl)cc1 409055495 IXYQEYAUKDGUDE-KKMKTNMSSA-N 461.776 6.607 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 409178724 NZNXGWPPCSIVLD-MUFRIFMGSA-N 463.364 6.418 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)NC1CCCC1 409195007 SDKGOVWELDTXSE-SXGWCWSVSA-N 494.216 6.301 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 409199213 BVPPRJCDNLSYKN-LUOAPIJWSA-N 497.806 6.607 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409258610 UVYFVZRMSROBPW-DEDYPNTBSA-N 489.959 5.529 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)cc1C 409267585 OGNNVGJQUSVECJ-XDHOZWIPSA-N 477.923 5.659 50 40 JKGB O=C(NN(C(=O)c1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1)c1cccc2ccccc12 2060163 SISRAWNBCHLDGG-UHFFFAOYSA-N 483.980 6.609 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(O)cc1 8843351 XKKAYQDKOWWWOS-MSXFZWOLSA-N 452.308 5.072 50 40 JKGB N#CC(=C\c1ccc(-c2ccc(Br)cc2)o1)/C(O)=N/c1ccc(Cl)cc1[N+](=O)[O-] 9057422 WOYJHKHOUNMEAD-UKTHLTGXSA-N 472.682 6.466 50 40 JKGB C/C(CCC(C)C)=N\NC(=O)CNc1c(Br)cc(Br)cc1Br 12401334 OBENMARYYJIHQO-KEBDBYFISA-N 498.057 5.314 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(C)cc1 12555904 MHAUKCFIXHPCTP-XSFVSMFZSA-N 471.469 5.067 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C(F)(F)F)C3=C(CCCC3=O)N2)c1 13174469 IHWRZIUKECRYJY-QHCPKHFHSA-N 497.542 5.815 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1OCC(=O)c1ccccc1 13648001 RWZSBKMTLIFELV-HYARGMPZSA-N 452.535 6.145 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 20197830 DCDDAPBKTHXLND-CVKSISIWSA-N 467.909 5.380 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccccc1 32519978 BNJHLQPBAGTHFP-CVKSISIWSA-N 461.543 5.048 50 40 JKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(Br)c1 33366937 QVWHODVXERSMBR-BKUYFWCQSA-N 461.359 6.191 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1 33595626 FHPGLOZKXAPNHU-AQTBWJFISA-N 475.570 5.287 50 40 JKGB O=C(N/N=C1\C(=O)N(CCOc2ccc3ccccc3c2)c2ccccc21)c1ccccc1Cl 46085206 YDBREAHBYYUBAO-GNVQSUKOSA-N 469.928 5.053 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@@H](c3ccccc3)Nc3ccc4ccccc4c3[C@@H]2[C@@H]1Cl 101076842 MNJHTWREHWCETR-DEJJHXFESA-N 487.024 7.787 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1)c1ccc(C(=O)O)cc1 408543634 PNRLDYKQCVQOLR-JMIUGGIZSA-N 478.298 5.489 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)c1 408544533 WXNONMNWHNPSDJ-XODNFHPESA-N 480.351 5.547 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)cc2Cl)cc1 408568762 KUJJVRSRWMJDSP-YVLHZVERSA-N 460.896 5.746 50 40 JKGB COc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1OCc1ccc(Cl)cc1Cl 408718750 FCIIGKDETAEHNI-ODOUZJFJSA-N 461.389 5.857 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)c(OC)c1 408740546 LMMGOUNSZHWANO-JVWAILMASA-N 452.986 5.366 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(Cl)cc1 408772376 LBHRZLXATATYQB-QOMWVZHYSA-N 498.026 5.903 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)c1C 408787619 CTDDUCCZUGNSCM-KEBDBYFISA-N 495.362 6.433 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1F 408788707 MDKVEIGSUIEUDS-YBFXNURJSA-N 495.348 6.030 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)cc1)C(=O)Nc1ccc(Br)cc1 408790147 UGDWXLYWMSQDEQ-NBVRZTHBSA-N 476.330 5.012 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1 408791996 GJAMBVTVRCOBEX-LICLKQGHSA-N 487.770 6.780 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc2ccccc12 408798959 GMDKYXNXYXHOQS-LPYMAVHISA-N 487.386 7.580 50 40 JKGB CCOc1cc(/C=C(\C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccccc1 408847577 NPRJMTWKWNRTRV-RGVLZGJSSA-N 468.778 7.144 50 40 JKGB Cc1c(Cl)cccc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1C 408858539 PYQPAPAXAKOGNM-ZRGSRPPYSA-N 484.781 6.329 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 408894616 JVEYLIGEYUBJSZ-VULFUBBASA-N 456.596 5.542 50 40 JKGB C#CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Cl 409033498 FHWZICBFNXGMBR-LQKURTRISA-N 486.984 5.983 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1OCc1ccc(F)cc1 409069700 XERHLIFFQTTWKK-KGENOOAVSA-N 458.489 5.393 50 40 JKGB Cc1ccc(-c2ccc(/C=N\NC(=O)COc3cccc4ccccc34)o2)c(Br)c1 409238523 DTMBPPZJOAQXFU-WGARJPEWSA-N 463.331 5.700 50 40 JKGB Cc1c(/C=N/NC(=O)CNc2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1Cl 409359847 CEFHOFDSAAVEEJ-IPPBACCNSA-N 465.384 5.867 50 40 JKGB N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(OCc3ccc(Cl)cc3)c([N+](=O)[O-])c2)[C@H]2CCCC=C12 1085021 XRHRIXOKQSCKNC-RDPSFJRHSA-N 485.931 5.421 50 40 JKGB COc1ccc(C(/C=C/c2ccc3c(c2)OCO3)=N\NC(=O)c2sc3ccccc3c2Cl)cc1 8454736 MKWHACMNMYFWQY-DEVUJWFKSA-N 490.968 6.140 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 9905737 JPUOHXYUGLBARG-PGGKNCGUSA-N 458.128 6.089 50 40 JKGB C/C(=N\NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc(NC(=O)c2ccco2)cc1 20158146 QUIKAUPGXVQGEQ-RPPGKUMJSA-N 480.735 5.411 50 40 JKGB N#CC1=C(N)OC2=C(CN(Cc3ccccc3)C/C2=C\c2ccccc2F)[C@@H]1c1ccccc1F 20528802 HFEXFMDVCIDAAN-XHBHTSLYSA-N 467.519 5.626 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1 33374428 HTTSUQXKHVYDBP-LFIBNONCSA-N 467.859 5.181 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccc(OC(F)F)cc1 33600855 MONKAARMKSFDMG-MNDYBZJGSA-N 465.887 6.311 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 33648410 GCWOREDQBYYBPL-WQRHYEAKSA-N 493.922 5.359 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)cc2)cc1 59224673 ODWXTHPJYJJIMO-STZFKDTASA-N 477.358 5.260 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 59266362 MCJVMAFGFGYEBQ-LICLKQGHSA-N 468.296 6.026 50 40 JKGB O=C(COc1ccccc1-c1ccccc1)N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 67197060 VDFDXFCQUFZQBA-UHBFCERESA-N 464.443 6.162 50 40 JKGB N#CC1=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)N=C2CCCC(O)=C2[C@@H]1c1ccco1 102605372 PXHJQSCTEVRMJT-FQEVSTJZSA-N 474.369 6.228 50 40 JKGB COc1ccc(Nc2ccccc2C(=O)N/N=C\c2ccc(N(CCCl)CCCl)cc2)cc1 104115353 HIRSCKMGPFLKQF-VEILYXNESA-N 485.415 5.487 50 40 JKGB CCCCCCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccccc1C 408538126 JMROKRPJUVBVMA-PGMHBOJBSA-N 469.423 7.043 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1OC 408583876 YCBXKEWLUFTPLR-YBFXNURJSA-N 450.878 5.909 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1nnc(-c2ccccc2)o1 408606804 QDTSINKYJBAXQE-FYJGNVAPSA-N 477.524 5.882 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1 408753723 HMPHOPOBKSYJKS-CJLVFECKSA-N 484.533 5.162 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc2)cc1 408765809 YEEHIXLUPKNZDN-HAVVHWLPSA-N 461.521 5.711 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c1 408778856 MQSTTZTWHCTPGD-JWGURIENSA-N 452.941 6.926 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)c1 408789360 PEFOUCUUFUDXGA-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1 408793897 GYQKTACKWMMJRB-FYJGNVAPSA-N 461.359 6.191 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OCC 408831962 HZGYWFDRWVMNJV-JJIBRWJFSA-N 468.553 6.083 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1Cc1ccccc1F 408873490 UUAVLBZGXHUPGS-LICLKQGHSA-N 499.767 6.387 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408886832 JDVPRUWLLZCJJT-YRNVUSSQSA-N 462.676 6.361 50 40 JKGB CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(I)c1 408890669 XJDJSBHGTUMFJY-NBVRZTHBSA-N 474.342 5.796 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccc(Cl)cc1 408899219 ZYAWJGSJTQQGGH-UDWIEESQSA-N 491.931 6.080 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 409047966 QEQRBSTUIASTTB-MHWRWJLKSA-N 484.364 6.010 50 40 JKGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 409179034 JLVRJSJSKYTERX-MUFRIFMGSA-N 478.508 5.524 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1ccccc1 409236719 GUOILJMDCKGZEK-UQRWVXEISA-N 450.498 5.382 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409261704 ALWIIXDYWUZNIN-HMAPJEAMSA-N 469.541 5.184 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1OCC 409322300 IVXCNAONOAKSDC-RHANQZHGSA-N 496.991 5.879 50 40 JKGB COc1cc([C@@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(Cl)c(Cl)c1 409369226 ILPBAALYQQTVGW-FQEVSTJZSA-N 476.429 5.924 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409391124 HKCCHEWJMMQWJX-GRSHGNNSSA-N 497.320 6.538 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(Br)cc1F 867476 JPZMKCSUPSUKKQ-UKTHLTGXSA-N 490.126 6.156 50 40 JKGB N#CC1=C2NC(=O)c3c(sc4c3CCCCC4)N2C2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 1024953 HDHDYYGNZQXXEG-OAQYLSRUSA-N 459.546 5.246 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1 1421389 UALZXALAVUNZPK-QFIPXVFZSA-N 483.749 5.605 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(NC(=O)c3cccc(Cl)c3)Oc3ccc4ccccc4c32)cc1 1893632 BOQVXPRXJAAEFX-VWLOTQADSA-N 466.924 6.191 50 40 JKGB N#CC1=C(SCC(=O)OCc2ccccc2)OC(c2ccccc2)=C[C@H]1c1ccc(F)cc1 2230232 AVAGTIMVAQBEAB-QHCPKHFHSA-N 457.526 6.192 50 40 JKGB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(N(CC)CC)cc1 2304601 ZUEJCDDBHSNXDR-LTGZKZEYSA-N 473.598 5.984 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cn(CCOc3ccc(Cl)c(C)c3)c3ccccc23)cc1 2769095 YKCOYGNLRPPMBL-CAPFRKAQSA-N 485.971 6.236 50 40 JKGB O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(O)(c1ccccc1)c1ccccc1 3080114 DLBCMBVAVVOWPZ-OCSSWDANSA-N 464.443 5.352 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cn(Cc2ccccc2C#N)c2ccccc12 8812694 ALSWRFOIEYCGSA-CCVNUDIWSA-N 487.357 5.096 50 40 JKGB N#C/C(=C/Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2ccc(Br)cc2)cs1 11853129 HDMQLPLUCWVWGE-XFXZXTDPSA-N 484.728 7.221 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc([C@H]3C[C@H]3c3ccccc3)o2)sc2c1CCCC2 12273883 JRDZYPFABDSMFB-UMKIKXNYSA-N 486.593 6.213 50 40 JKGB CCC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccc(OC)c(O)c2)c(C(C)(C)CC)c1 12498873 CVLGGEVANOFTRF-VUTHCHCSSA-N 468.638 6.085 50 40 JKGB CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1 12615178 CBTWRBAKURZBLG-HAVVHWLPSA-N 480.568 5.781 50 40 JKGB CCC(CC)=NNC(=O)c1ccc(CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 19926569 JVNCFSLZTUEFLW-UHFFFAOYSA-N 498.048 5.950 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(Br)c1O 20175515 XOQJWTJTSMWTRI-VZUCSPMQSA-N 489.675 5.771 50 40 JKGB N#CC1=C2SCN(Cc3ccccc3)CN2CN(Cc2ccccc2)[C@@H]1c1ccccc1Cl 20348072 AREDSBAOXMKATF-AREMUKBSSA-N 473.045 6.056 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(F)cc1 35252664 WLXMSOOODXLDAQ-XSFVSMFZSA-N 473.504 5.096 50 40 JKGB COc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCc1ccc(Br)cc1 83317688 ZOWGGPJBFSRBME-QFEZKATASA-N 453.336 5.109 50 40 JKGB CN1C(=O)/C(=N/NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)c2ccccc21 102978073 ZFZFYNZAEKNOEX-KDJFERLWSA-N 461.521 5.043 50 40 JKGB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H]5CC[C@H]4[C@@]3(CO5)C(=O)[C@@H](Br)[C@@]12C 263596566 FUKGALSZILDDJS-AFLGYJAXSA-N 481.471 5.166 50 40 JKGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1 408720271 XGRKHIHHLRGVDZ-DFVFNMDZSA-N 454.595 6.191 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc(F)cc3)cc2-c2ccc(-c3ccccc3)cc2)cc1 408727396 WITDEENSAKSMEU-UZWMFBFFSA-N 474.539 6.418 50 40 JKGB COc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(OC)cc2)N3)cc1 408751302 BSHLBHGPRMTNQO-KQNXCPPNSA-N 467.569 5.684 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 408775870 VZDOXXJWYFWEGD-QJOMJCCJSA-N 466.968 7.180 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408788322 JOJKMWGJYNHVLO-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408790192 UXSQEOJVVADYNO-LICLKQGHSA-N 469.324 5.832 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1F 408798769 WYDDCBQBZRCTEE-WOJGMQOQSA-N 485.342 6.656 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 408808892 GXYIPMISWLXQRB-JAIQZWGSSA-N 495.348 5.399 50 40 JKGB C=CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1 408838954 KRKDTNDFSTVHIF-LQKURTRISA-N 489.000 6.536 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OCc2cccc3ccccc23)c1 408853181 ZGVHGMIYFNOJBL-PXLXIMEGSA-N 452.485 6.112 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1OCc1ccc(Cl)cc1 408892522 BVKDBKYFANQFIG-XDHOZWIPSA-N 467.352 6.435 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 408899260 OSGYWHSYZSFAGF-UDWIEESQSA-N 479.349 6.275 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1C 408925968 VHHDIRZMGLRMCG-RGVLZGJSSA-N 491.931 5.998 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccccc1C 409007891 RKAVYHJJBNWEAS-HAHDFKILSA-N 483.568 5.574 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OCC)c1OCc1ccc(C(=O)O)cc1 409075559 RRWAYCHJRDEOTO-PCLIKHOPSA-N 496.563 5.945 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 409213763 VNVAHOSYRNYBKM-ZMOGYAJESA-N 455.923 5.070 50 40 JKGB Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1 409223692 HBIZTPRLXNECIU-ROTLSHHCSA-N 472.284 5.193 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1C 409247862 DDBVAZZOAWUZPV-PXLXIMEGSA-N 469.541 5.265 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1OCC 409312999 AKGJZRWGPKTPHL-QRQIAZFYSA-N 462.546 5.144 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccoc2C)cc(Br)c1OCc1ccccc1Cl 1086221 BTMIYOSWMQRJHN-BHGWPJFGSA-N 477.742 5.355 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(n1cccc1)=C(C#N)[C@H]2c1cccs1 1431799 GFIMFNAICQJJJQ-QHCPKHFHSA-N 493.554 7.208 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cc(C(F)(F)F)ccc1Cl)C(N)=C(C#N)[C@@H]2c1ccsc1 3663106 KQHQFYVOCVOHJU-IBGZPJMESA-N 477.939 6.361 50 40 JKGB CCOP(=S)(OCC)SCC(=O)Nc1cc(C(C)(C)C)ccc1NC(=O)c1ccco1 4288443 WHMBXKJVKYYCAV-UHFFFAOYSA-N 484.580 5.799 50 40 JKGB COc1ccccc1C(=O)NC1=C(C#N)[C@H](c2ccc(Cl)cc2)c2c(ccc3ccccc23)O1 13943784 XIUWYRZZBBNWFX-VWLOTQADSA-N 466.924 6.191 50 40 JKGB N#CC1=C(N)OC(C(Cl)(Cl)Cl)=C(c2nc3ccccc3o2)[C@H]1c1ccc(Cl)cc1 16545258 JYMTYOCWIMVLSH-HNNXBMFYSA-N 467.139 6.070 50 40 JKGB COc1ccc(/C=C2/SC(=S)N(/C=C(\C#N)C(=O)c3ccc4ccccc4c3)C2=O)cc1OC 17223580 DIJOXUCFKHURBM-GCIXRCDPSA-N 486.574 5.349 50 40 JKGB COc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(OCc4cccc(C)c4)c2)C(C#N)=C(N)O3)cc1 22573656 MMFAPAKZQWCHJZ-DEOSSOPVSA-N 464.525 5.191 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)c1cccc([N+](=O)[O-])c1 33459528 RZSPVOSGIXJHST-UWVJOHFNSA-N 450.281 6.416 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 33635052 GGRPJUPOXYVJMP-ZDLGFXPLSA-N 497.320 6.538 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1ccc(F)cc1 33652190 IGPJYFVXBCQRKG-ODLFYWEKSA-N 495.348 6.030 50 40 JKGB N#C/C(=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 33699370 OARLAHQFNUXFBZ-QNGOZBTKSA-N 493.475 5.571 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3ccc(OCC(=O)Nc4ccccc4)c(Br)c3)[nH]c2c1 33714727 XKOQSFNFHDJFEW-PDGQHHTCSA-N 487.357 5.716 50 40 JKGB CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](C)Cl)CC[C@]4(C)[C@H]3CC[C@]12C 118918043 AAEWZCYGFQHOQA-AHDLQFNGSA-N 477.173 8.855 50 40 JKGB CCN1c2ccc(/C=N/NC(=O)c3cc(Br)ccc3OC)cc2C(C)=CC1(C)C 208505842 XJXQDNHJQXAPKE-AFUMVMLFSA-N 456.384 5.243 50 40 JKGB CC(C)N1c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2[C@H](C)CC1(C)C 260565735 JSSXBIUVXGDVOT-IKQNMSGQSA-N 469.629 5.573 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 408526484 CFFSUMXXVWHNGU-PNQUVVCRSA-N 496.316 6.153 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c(C)n1-c1cc(Cl)ccc1Cl 408529220 ISAIRWWHKIFIPO-VPUKRXIYSA-N 483.321 5.982 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 408530183 LMXUCZPNMXCOER-MZJWZYIUSA-N 473.356 5.500 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2Br)cc1 408746407 YXGIDXPGXCCFFE-JAIQZWGSSA-N 495.804 6.844 50 40 JKGB COc1cccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccccc2)c1 408780456 YYYSMEAQHGIVPY-UHFFFAOYSA-N 499.677 5.667 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 408873205 OLUPKVOTNCLOSI-OQLLNIDSSA-N 497.311 6.201 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1Cc1cccc(F)c1 408873759 VKMDPUQGQYWLPW-RQZCQDPDSA-N 455.316 6.278 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(=O)c2cccc3ccccc23)c([N+](=O)[O-])c1 408888216 TZDXWZMNEGPAIY-HMMYKYKNSA-N 493.475 5.521 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cccc(OCc2cccc3ccccc23)c1 408936466 JZNUTUNCNHPMPN-UCQKPKSFSA-N 452.941 6.926 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccccc3s2)o1 408992527 SIBLYLWYRCANKA-SDNWHVSQSA-N 451.960 6.548 50 40 JKGB CC(C)(C)C1CCC(=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 409024755 GWTLZZLOVVYGNU-UHFFFAOYSA-N 476.042 5.244 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1 409044944 DQQBDSZSYJEXCB-LZYBPNLTSA-N 492.189 7.425 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 409045894 JLWARIUBXQJYHC-UDWIEESQSA-N 489.959 5.529 50 40 JKGB Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 409048148 QORSXSZLCTZXNX-CPNJWEJPSA-N 479.458 5.577 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1 409220313 WQFFWMXOTGWTFP-CPNJWEJPSA-N 490.357 5.321 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c(C)c1 409256496 LPGXRBRQUGGRAE-XKZIYDEJSA-N 487.987 6.137 50 40 JKGB Cc1ccccc1[C@@H]1C=C(c2ccccc2)OC(c2ccccc2)=C1/C=N/NC(=O)c1ccncc1 1825859 HQLHBCAZDGSTJO-LIVVUGFJSA-N 471.560 6.372 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccccc1Cl 2162501 GGQBVXHFTRXGJK-OKCVXOCRSA-N 484.939 6.591 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(O)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2343882 JBPCVHCGCSEJLH-STBIYBPSSA-N 499.640 5.488 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)cc1 2412404 UQZNOYQAYLCITF-LTGZKZEYSA-N 494.551 5.356 50 40 JKGB COc1ccc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccccc1Cl 2769726 KEQMUOXTPUGDRA-CJFMBICVSA-N 470.960 5.521 50 40 JKGB Cc1c(/C=N/NC(=O)c2cc(Br)ccc2O)c2ccccc2n1Cc1ccccc1 3170526 JKDKDZUJIHBWBA-VULFUBBASA-N 462.347 5.230 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2)cc1 3254473 YKWCBQZLHRISOV-CPNJWEJPSA-N 463.331 5.582 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 9203291 GLRLZFRTEIRNER-OCSSWDANSA-N 496.408 6.298 50 40 JKGB O=C1O[C@@H]2[C@H](Br)[C@H]3C[C@@H]2[C@H]1[C@H]3C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 9581283 PNNNISKKHJTMNW-QYPVHMSXSA-N 497.172 5.295 50 40 JKGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 12585646 UJHJTMNUYJVQRO-WOJGMQOQSA-N 493.903 5.390 50 40 JKGB C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 13576184 XZVZFIJMIHBDLF-JOBSNELWSA-N 459.398 6.203 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1cccc2ccccc12 13898645 RZLHNMNEQWCLDO-PCLIKHOPSA-N 462.549 6.590 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc2c(c1)OCO2 16268496 UAWDXCLJANFPEF-SXGWCWSVSA-N 454.313 5.675 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCOC)c(C)c1 16701233 XMFWCUMCIHAYJX-PYCFMQQDSA-N 472.589 5.086 50 40 JKGB N#C/C(=C\c1ccc(OCc2c(F)cccc2Cl)cc1)C(=O)NCc1ccc2c(c1)OCO2 20428983 SNKPTXOFNKUBMN-VCHYOVAHSA-N 464.880 5.010 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC(C)=O 31906003 JHRCPLGVHGXBRT-PXNMLYILSA-N 485.359 5.579 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 33662666 UPHZUELPGCQPNJ-RGEXLXHISA-N 461.315 5.522 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12 34895861 CMCPOAOQXVMQIV-OKCVXOCRSA-N 477.520 5.314 50 40 JKGB Cc1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4ccc(I)cc4)c3C)[nH]c2c1 35074672 PQCINOVDOAXSSO-LDADJPATSA-N 478.337 5.948 50 40 JKGB C/C(=N\NC(=O)COc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 58917013 WKEMMDILCWWYAY-RGLNYDMWSA-N 455.533 5.571 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)ccc1OCc1ccc(Cl)cc1 59266355 SFJQSOLZTNBISO-PXLXIMEGSA-N 460.961 6.426 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc2ccccc12 59536676 LVCITTZCVCEGMS-UCQKPKSFSA-N 484.939 7.443 50 40 JKGB COc1ccc(C(CBr)c2ccc(OC)c(Cl)c2Cl)c(Cl)c1Cl 90627435 NYPDMPNYVYGKMA-UHFFFAOYSA-N 458.994 6.844 50 40 JKGB in-vitro Cc1cc(N(CCCl)CCCl)ccc1/C=N\NC(=O)[C@H](Cc1ccccc1)c1ccccc1 104049610 ORRVNBBORUQXSH-DREHFNEISA-N 482.455 5.756 50 40 JKGB CC1=NN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\NNC(=O)c1cccc(C)c1 408526607 CQQZUGLGPKFQPU-ONUIUJJFSA-N 468.601 5.004 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1nc2ccc(F)cc2[nH]1 408567966 QXZNDIWOQHTKHZ-ZROIWOOFSA-N 468.366 6.485 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCC(=O)O 408581441 WTXUGDJMERYQFN-LFYBBSHMSA-N 471.134 5.682 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1cccc(Br)c1 408755347 UFRUTAXLTTYLOA-PDGQHHTCSA-N 474.333 6.137 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(Cl)c1OCc1ccc(Cl)cc1 408808930 FYHOIJUIJNITSN-IAUZIZESSA-N 473.400 6.183 50 40 JKGB COc1ccc(Br)cc1/C=N/NC(=O)CSC1c2ccccc2-c2ccccc21 408869321 QYRQFLDXPILGMS-DHRITJCHSA-N 467.388 5.411 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1Cc1ccccc1Cl 408881866 KTUOSEBVHQFWDQ-YBFXNURJSA-N 495.804 6.556 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1cccc(F)c1 408886781 JAPRZKXXPZYMOR-CXUHLZMHSA-N 485.298 5.906 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 408890209 PSBPATYKBHWJAY-LICLKQGHSA-N 498.322 6.035 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OCc1ccccc1Cl 408893591 GFFNXQPZBTZJBO-YBFXNURJSA-N 477.904 5.690 50 40 JKGB CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)ccc1OCc1ccccc1 408905598 BLEHEHXICWWVSK-VUTHCHCSSA-N 460.574 5.454 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1 408923806 KISAHPITIKBJOK-GXDHUFHOSA-N 464.157 5.464 50 40 JKGB CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c1C 408959518 AFXLQYPDDXBSEV-BKUYFWCQSA-N 462.391 6.273 50 40 JKGB O=C(O)c1cccc(COc2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2Cl)c1 408964520 HNFLZYFOTTYMAR-RPPGKUMJSA-N 493.859 5.036 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1C(F)(F)F 408996034 GQRKWOWGRCZQNA-PNQUVVCRSA-N 496.411 5.221 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OC)c1OCc1ccc(Cl)cc1 409063349 AEMGCJVPFIFJNV-KGENOOAVSA-N 456.929 6.861 50 40 JKGB N#C/C(=C/c1cccn1-c1cccc(Br)c1)C(=O)Nc1cccc(C(F)(F)F)c1 409240191 JZMHGRZXRXYIMQ-UVTDQMKNSA-N 460.253 5.804 50 40 JKGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)cc2Br)cc1 409243071 YKEUCDOSIMEEKC-JVMBGAFUSA-N 475.386 6.121 50 40 JKGB N#C/C(=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)C(=O)Nc1cccc(Br)c1 409250340 QPUYVHQNUCCJJG-UDWIEESQSA-N 474.333 6.137 50 40 JKGB C#CCOc1c(I)cc(/C=C(/C#N)c2cccc3ccccc23)cc1OC 409315817 JWDXDBXHGORVPS-PDGQHHTCSA-N 465.290 5.529 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)ccc1OCc1ccc(Br)cc1 409362211 IIJWHELIHSWNFU-JAIQZWGSSA-N 478.342 6.220 50 40 JKGB CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)cc1 2200216 YVSNAKKOFWOMON-XLNRJJMWSA-N 460.603 5.594 50 40 JKGB CC[C@H](Nc1cccc(C)c1)C(=O)N/N=C\c1ccccc1OCc1cccc(Br)c1 8450894 WXOCVUQFVXUIIV-PXDDYHHSSA-N 480.406 5.677 50 40 JKGB Cc1cc(-n2c(C)cc(/C=C(\C#N)c3nc4ccccc4[nH]3)c2C)ccc1I 9259157 NQAVKFGUPCXQPE-LDADJPATSA-N 478.337 5.948 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc(C)c1 9262402 LRBCRSYKCMXXQI-CIAFOILYSA-N 491.385 6.199 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)c1nnc(N2CCOCC2)n1-c1ccccc1 9443476 ZOPZGSZKCUXHMT-KNTRCKAVSA-N 457.921 5.081 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cn(C(=O)c3ccccc3)c3ccccc23)sc(C)c1C 12276064 UMPDNBOBPUYGLJ-XSFVSMFZSA-N 497.576 5.731 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c(C)n1-c1cccc(Cl)c1 12586185 BDIWNMGUEHCFFM-CXUHLZMHSA-N 499.752 5.964 50 40 JKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 12604400 OUQVTLDCUIBFFC-XDJHFCHBSA-N 454.917 5.747 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc(C)cc1 15223216 LUCZTXOQOMMYPS-ODLFYWEKSA-N 493.357 5.596 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2c(OCc3ccc(C#N)cc3)ccc3ccccc23)cc1 20198079 AEBCHMWWXBCFFU-ZCTHSVRISA-N 463.537 5.843 50 40 JKGB C/C(=N\NC(=O)COc1ccccc1C)c1cccc(NC(=O)c2csc3ccccc23)c1 20418950 FZUVLDJCBMRSTJ-MTDXEUNCSA-N 457.555 5.381 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1c(C)n(Cc2ccccc2Cl)c2ccccc12 33393479 CRXAHUOTPVVGFF-KBVAKVRCSA-N 481.983 6.577 50 40 JKGB COc1cc(/C=N\NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc(Br)c1OC 36245410 UBZDBKMVJINONP-NDSZVSRJSA-N 459.384 5.018 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(Br)cc1 59534385 NMJZITWPCCTEGY-WOJGMQOQSA-N 483.387 5.322 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc(Cl)c1O 105726097 JOYOWJFDBAEXFJ-MUXKCCDJSA-N 493.947 5.398 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1 107839810 XLCYUEKVDDIQHF-WKULSOCRSA-N 480.524 5.152 50 40 JKGB COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl 107890135 UEKIDBWVKGOVIF-SFQUDFHCSA-N 496.350 5.565 50 40 JKGB CC1(C)[C@H]2CC[C@@]1(C)/C(=N\NC(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N3)C2 226613815 FBMLHCJNVNTSAR-ZIUTWLDZSA-N 477.506 5.615 50 40 JKGB C[C@H](CCC(=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 253617602 XNTZTQJAAZNSGD-OVGMZZBJSA-N 453.461 6.089 50 40 JKGB N#C/C(=C/c1cc(Br)c(O)c(Br)c1)c1ccc(Br)cc1 408530933 NAWLDJAKAUGXEC-WZUFQYTHSA-N 457.947 5.744 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCc1cccc2ccccc12 408565872 BXDXTYDOXVWCHM-UZWMFBFFSA-N 474.560 6.273 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)CC2=O)cc1 408608817 PTZUVYBQJSTMTC-SFHVURJKSA-N 484.383 5.377 50 40 JKGB CCOc1ccc(CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)c(Br)c3)c2C)cc1 408711931 RAAXHKPMFFHVTC-YSMPRRRNSA-N 468.395 5.257 50 40 JKGB CC1=CC(/C=C(/C#N)C(=O)Nc2ccccc2C)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1 408746377 YRFLUPIMWPDTFJ-OINPTKSXSA-N 460.577 7.023 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1cccc(Br)c1 408759965 PCPCECXWSSRZPL-PDGQHHTCSA-N 451.295 5.713 50 40 JKGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12 408805755 HLKSIAUKWAGLPU-HDAKKWKLSA-N 463.375 6.003 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2 408806098 AGCNKKAORFDQLI-OVBDPADQSA-N 454.599 5.691 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1Cl 408807493 DAEMIXJCTAGRAS-LFIBNONCSA-N 498.366 6.669 50 40 JKGB Cc1ccc2ccccc2c1COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 408809554 HVEKZWBVYBRRRM-CJLVFECKSA-N 452.941 6.926 50 40 JKGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 408816769 ZEGOZKIKZNFEFC-MDWZMJQESA-N 450.119 5.314 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1cccc(C)c1 408845297 FXMPJURPYOJZHC-YBFXNURJSA-N 450.897 5.921 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 408853480 UIGSCUJMYHIPPS-YVLHZVERSA-N 468.340 5.953 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Br)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408880198 GMFBIZGAGQZPQR-LDADJPATSA-N 486.196 6.892 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408885830 BMGPCNSQTCWHMD-FYJGNVAPSA-N 487.512 5.435 50 40 JKGB COc1cccc(/C=N/NC(=O)COc2c(C)cccc2C)c1OCc1ccccc1Cl 408915370 XUQBZYCSBGQEQY-MZJWZYIUSA-N 452.938 5.074 50 40 JKGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 408922062 CYNGQWJDCUERNX-SFQUDFHCSA-N 477.860 5.022 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1ccc(Cl)cc1 408965040 FQFDCEPPZPSREL-CCVNUDIWSA-N 451.885 5.092 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c(F)c1 408967697 RTHZZHJBDRDRGC-KVSWJAHQSA-N 472.354 5.181 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1 409018338 UMNDYNGYRUPZJR-ZRGSRPPYSA-N 484.737 5.440 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2cccc(C)c2C)cc1 409024154 AILBVABRZQSZMR-OGLMXYFKSA-N 477.630 5.081 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCc1ccccc1 409088140 DRLDDPRAOHJBAO-LICLKQGHSA-N 478.848 5.172 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(Br)ccc2Br)o1)C(=O)NCc1ccccc1 409110968 ALLGYZQEOQQIFC-XNTDXEJSSA-N 486.163 5.695 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c1OCc1ccc(C(=O)O)cc1 409184740 MNLAUJIEWFFHIM-RPPGKUMJSA-N 473.312 5.043 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1 409259996 IXLSUOIQBQIYNG-XDHOZWIPSA-N 475.932 5.226 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 409342845 GWDOICPJXDCYEA-MOSHPQCFSA-N 468.778 7.144 50 40 JKGB N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Br)s1 713476 WOWFPNSQAVDSCP-GOSISDBHSA-N 494.336 5.834 50 40 JKGB CCCCOc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)c1 2109552 PZMXGHGISNEWJB-VUTHCHCSSA-N 453.542 5.853 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 2252240 ZJOXUESQDGNSBN-HMMYKYKNSA-N 455.945 6.287 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)C(O)(c1ccccc1)c1ccccc1 4016914 BTOHGWGUBKHGAK-WPWMEQJKSA-N 475.342 5.095 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1c(Cl)cccc1Cl 9292305 VLEPRMHHQJKCGM-NRFANRHFSA-N 489.362 6.181 50 40 JKGB Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1Cl 9292933 KTECYUHMYYZZEN-DTQAZKPQSA-N 453.889 5.389 50 40 JKGB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(C(C)C)cc1 9300117 XNVBSJDAFTVZLN-MOSHPQCFSA-N 462.546 6.400 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)cc1 9345216 BWUQGJFFVWGVCF-FOWTUZBSSA-N 491.334 5.648 50 40 JKGB Cc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)c3c[nH]c4ccccc34)N(c3ccccc3)C2=O)c1 10435209 GEKLLKZHXSSATN-KVILUOORSA-N 463.562 5.786 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)cc1 12560338 WBSOGOCKXCLARZ-CWGHZZIYSA-N 473.576 6.425 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1nc2ccccc2s1 12585912 SQJBUWKIIZZIAJ-CXUHLZMHSA-N 471.796 7.900 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1cccc([N+](=O)[O-])c1 16689183 QKYPJOAZYFFFSM-UNOMPAQXSA-N 461.449 5.257 50 40 JKGB C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1 20158639 CBYSLOQIZHQMBE-FJEPWZHXSA-N 495.366 5.646 50 40 JKGB Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1 33579939 NIRTZYJNKZGBJT-RRAHZORUSA-N 450.563 6.803 50 40 JKGB N#C/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 82067569 FLMSZYFIHAQFLZ-PYCFMQQDSA-N 483.493 7.721 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1ccc(C(=O)O)cc1 408542029 JEDIEAJLYUBMBC-ODLFYWEKSA-N 468.734 6.444 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc(-c2ccccc2)cc1 408544427 VZLGGGDCADPNOE-PCLIKHOPSA-N 461.521 6.005 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)c1ccc2ccccc2c1 408549463 UAMBQWOVSZPKQY-JJFYIABZSA-N 492.775 8.038 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1 408583850 XRDXNFUKZQUBQM-XDHOZWIPSA-N 499.972 5.588 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc2ccccc2c1 408743786 VFULSMNRAATQJJ-UCQKPKSFSA-N 468.940 6.626 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408782280 GPWQRYBGJAJEIF-UYRXBGFRSA-N 466.412 7.244 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1cccc(F)c1 408791849 DJUABTKURSWYLS-QGMBQPNBSA-N 485.342 6.574 50 40 JKGB C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 408810690 MQPHQHPBTNTLGJ-RCCKNPSSSA-N 487.353 5.586 50 40 JKGB O=C(N/N=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1cc2ccccc2o1 408811060 KYCTZVPWOBVKRC-PPDIBHTLSA-N 457.288 6.222 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1 408866364 HVTPACJVPQNQLD-WOJGMQOQSA-N 458.842 6.634 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)ccc1OCc1cccc(C)c1 408867040 HYTFAOVVDHMZTO-ZVHZXABRSA-N 486.568 5.213 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(Cc2ccccc2F)c1 408872251 BVZRXCRBJSMOEU-YZSQISJMSA-N 492.550 6.550 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2F)c(Br)c1)C(=O)Nc1ccccc1Cl 408880967 KWEIJYKPUZOUQC-WOJGMQOQSA-N 469.741 6.378 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)c2C)c1 408966938 OBNSVUGRDYSVGJ-WKIKZPBSSA-N 488.371 5.107 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1OCc1ccccc1 409191200 DGAWUZOFORNVOM-UNOMPAQXSA-N 469.379 5.393 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 409200239 QZNULTLKIJZWNP-RUOGATEASA-N 482.367 5.729 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)c1 409214564 WCIMVXGVMOAWRR-VULFUBBASA-N 469.994 5.167 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 409252547 TWRHEFWNKQGXHW-OKCVXOCRSA-N 499.438 6.571 50 40 JKGB O=C1/C(=C/c2ccc(N(CCCl)CCCl)cc2)C(O)=NC(=S)N1c1cccc2ccccc12 677936 AFDHBOYVJQCRCZ-LTGZKZEYSA-N 498.435 5.795 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)c2C)cc1 2159657 NPXONLHGHVKKJI-OCSSWDANSA-N 479.536 5.934 50 40 JKGB CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)/C(C#N)=C/c1ccccc1 2283068 KZTJMZBDSAIWFL-SFQUDFHCSA-N 481.371 5.900 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 4065296 VCWHFJCWIPEVOX-KBVAKVRCSA-N 478.527 5.265 50 40 JKGB Cc1cc(C)c(C#N)c(SCC2=C(C(=O)OC(C)C)[C@H](c3ccccc3Cl)C(C#N)=C(N)O2)n1 8934631 CTVMNTFXLZKAPZ-OAQYLSRUSA-N 495.004 5.029 50 40 JKGB C[C@@H]1CCCC/C1=N\NC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 9096984 MNZVSYXEQIYLCV-QWEZLZDISA-N 454.379 5.090 50 40 JKGB Cc1c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1ccccc1Cl 15231352 HCFHOBRYXIEOJN-AMVVHIIESA-N 469.894 6.434 50 40 JKGB CCCC1CCC(=NNC(=O)c2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1 15347517 HLATVIBWAHLHIH-UHFFFAOYSA-N 481.540 5.582 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1cccs1 20028790 VFNYKDNMTBJDKP-OAQYLSRUSA-N 486.018 5.199 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC2CCCCC2)cc1C 27017941 JPAYEIPAJGCJLE-XLNRJJMWSA-N 454.574 5.602 50 40 JKGB Cc1cccc(C)c1NCC(=O)N/N=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1 30738353 BAOFNNMQOBONGY-LQNQUEJISA-N 451.526 5.238 50 40 JKGB Cc1cccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3cccc4ccccc34)cc2)c1C 30843196 HTRFYSITTYUFQE-RHANQZHGSA-N 452.510 5.205 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(Br)ccc3OCc3ccc(F)cc3)[nH]c2c1 33586547 OPOMWTGWXLUQEI-WQRHYEAKSA-N 462.322 6.416 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1OCC(=O)c1cc(C)c(C)cc1C 34869646 QCCDFZPQALSHQF-BKUYFWCQSA-N 468.578 6.556 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1Cl 59117265 VVTQBIPDCCKNGL-PDGQHHTCSA-N 453.325 6.127 50 40 JKGB O=C(N/N=C\c1cccn1-c1ccc(Cl)cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 59303179 RDXRSWNGNAHYMO-YKQZZPSBSA-N 473.020 6.754 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(F)cc1 59332856 QZKBEIVHUIBAPA-MOHJPFBDSA-N 485.559 5.059 50 40 JKGB N#C/C(=C/c1ccc(-c2cccc(-n3cnnn3)c2)o1)c1nc(-c2ccc(Cl)cc2)cs1 96306193 SQXFAFKZLIOMDA-BOPFTXTBSA-N 456.918 5.763 50 40 JKGB Cc1cc(/C=C(\C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(I)cc1 107701695 RVWYQKRCOBZMAA-WOJGMQOQSA-N 469.282 5.671 50 40 JKGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 108107552 KRXOVNJIYJJOFJ-ZRGSRPPYSA-N 476.291 5.313 50 40 JKGB CCOc1cc(C(=O)Cl)cc(I)c1OCc1ccc(Br)cc1 226329020 JXYAYZLLUXUYNQ-UHFFFAOYSA-N 495.538 5.410 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc(Br)cc1 408529476 JTZYPGTZGLEPHA-ZDLGFXPLSA-N 459.170 7.399 50 40 JKGB O=C(NNc1cccc(OCc2ccccc2Cl)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408606087 LMUVKYVHCWKKOC-KRWDZBQOSA-N 470.356 5.069 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Br)cc2F)o1)c1ccc(N2CCCC2)cc1 408677644 TYNOTWITICGEML-AFUMVMLFSA-N 456.315 5.212 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)cc1 408746358 SBQZOBDOMAJYNH-JAIQZWGSSA-N 473.916 5.354 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c(C)c1 408790033 MJHUORIBIJTZAM-VXLYETTFSA-N 469.343 6.874 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)c1 408811999 MJXRAVTWXLZNDM-YBFXNURJSA-N 485.798 7.388 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2ccc(C)cc2)c1Cl 408818721 QIEBBLWGNVPHNK-BRJLIKDPSA-N 460.317 5.579 50 40 JKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 408851553 LCZDKXZZEVUEAH-GDNBJRDFSA-N 487.806 7.009 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccccc1OC(=O)c1cccc2ccccc12 408891301 OGKSCOBDWMAXOJ-RCCKNPSSSA-N 477.476 5.821 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C#N)cc3)c2C)ccc1Br 408904249 HBSWYHUCEJMJSD-MXAYSNPKSA-N 450.340 5.192 50 40 JKGB COc1ccccc1OCC(=O)N/N=C\c1cc(Br)c(Sc2ccc(C)cc2)o1 408912296 FAMXPDAJWJHMGR-FMCGGJTJSA-N 475.364 5.039 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)c(Br)cc1OCc1ccccc1 408977382 IOBMPOBVOYOYGC-VXLYETTFSA-N 466.335 5.097 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 409022167 HICKYQXRXFIVKN-RAWMCFOBSA-N 470.312 5.609 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(C(=O)O)cc1 409068553 BAMBPMRSPPPLHI-OEAKJJBVSA-N 470.481 5.673 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1OC 409309426 GZWMVHIDVDNTLN-MUXKCCDJSA-N 486.927 5.238 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccc(C)cc2)ccc1OC 409336737 UIWZUQQWHNZCJG-DICXZTSXSA-N 497.389 5.508 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 858276 BIELQQGJNVIQEE-GXDHUFHOSA-N 461.237 6.274 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccc(F)cc1 1190185 JQDKNOWCMASWAN-FMIVXFBMSA-N 456.227 5.302 50 40 JKGB CCCCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)cc1 8837089 YFPFTAQBYMNNEW-WGOQTCKBSA-N 486.041 5.430 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 9553957 QOCYKSIMDSZJKH-VCHYOVAHSA-N 477.860 5.071 50 40 JKGB N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@H]1c1cccc(OCc2ccccc2)c1 12251023 AZUHNCWEKBMEJB-DEOSSOPVSA-N 488.012 6.138 50 40 JKGB Cc1cc(OCC(=O)N/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)ccc1Cl 13756354 NFXCLTDGBABRLY-QVTSOHHYSA-N 483.955 5.248 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1ccccc1Cl 13941032 GFQIPYYFZSEFPZ-LGJNPRDNSA-N 459.329 5.110 50 40 JKGB C/C(=N\NC(=O)c1ccc(Br)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1 14923492 KQFXKMQFPMGXSC-MFKUBSTISA-N 457.755 5.836 50 40 JKGB CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)c1 26779636 OPWCBPRBQQHSFY-HKWRFOASSA-N 459.509 5.651 50 40 JKGB C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 28214180 QUWFKCRVULTEHS-IABHGPFBSA-N 496.032 5.227 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(Cl)c(Cl)c3)nc3ccccc3c2=O)cc1 32577048 TUXIFAPAOQOGGG-WKIKZPBSSA-N 497.407 5.243 50 40 JKGB CCOc1ccc(C2=C(/C=N\NC(=O)c3ccncc3)[C@@H](c3ccccc3)c3ccccc3O2)cc1 33396513 NSVBXTYEBOXCGQ-VJRIHLSISA-N 475.548 5.832 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1)c1cccc([N+](=O)[O-])c1 35393753 DQUKWSWFWCRXIK-OCKHKDLRSA-N 479.286 5.699 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccc(Cl)cc1Cl 58913708 QGYDWMGAXNRPPS-CCVNUDIWSA-N 479.367 5.643 50 40 JKGB CO[C@H](C(=O)N/N=C(\C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2)c1ccccc1 58917330 TUSNEIOVYPFCGY-CUAJOJENSA-N 469.560 5.880 50 40 JKGB C/C(=N\NC(=O)c1ccccc1O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 58917653 XOQXTNQWHVPATJ-VXVBXAOTSA-N 457.961 6.026 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccccc1Cl 59334806 QYUUSVVIUOYCRX-WQRHYEAKSA-N 459.771 5.405 50 40 JKGB C/C(=N\NC(=O)CSCc1cccc(Cl)c1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 59473769 INUYJFRBMJMOPQ-LQKURTRISA-N 486.424 6.019 50 40 JKGB O=C(N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)c1cc(-c2ccccc2)n[nH]1 67197102 DZGCZDCKTVETME-OPEKNORGSA-N 459.720 6.061 50 40 JKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 100030739 XVFICGSHBVPUFH-XHLNEMQHSA-N 491.588 7.138 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1 107639656 LRDBEJNCLWETPU-LQKURTRISA-N 489.369 5.954 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1)c1ccccc1F 108976319 HSGLSBWKJIJNJK-BOPFTXTBSA-N 487.166 6.994 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 408528224 UNUFWJQOPHAARN-LGJNPRDNSA-N 459.329 5.110 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(I)c1OCC 408542505 JHXPRTVXNMYLCY-CXUHLZMHSA-N 487.341 5.646 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1OC 408583498 VCGNCSODNZMXRO-YBFXNURJSA-N 484.777 6.763 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1cccc(Cl)c1 408737436 AOPCJNKWCVYDMW-BRJLIKDPSA-N 461.718 5.585 50 40 JKGB Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccccc1Cl 408750687 QICLPDVNQCEJDE-MIXAMLLLSA-N 457.961 5.134 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1cccc(F)c1 408792599 LIURHYRJBSOMBH-SRZZPIQSSA-N 478.951 6.619 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 408819778 SYBLARWSPWQUGC-JAIQZWGSSA-N 480.923 5.299 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccc(F)cc1 408849790 ZBUVHIUHEBZCSN-LICLKQGHSA-N 454.860 5.751 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1cccc2ccccc12 408881988 MRLVWFBQLZBOFY-HEHNFIMWSA-N 454.507 5.153 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OCc1ccccc1 408884387 WYXOOQZDSXKBCF-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccccc1 408888947 CZJMHBBXTNREFL-UDWIEESQSA-N 476.916 5.562 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1cccc2ccccc12 409122902 CHFKWKXPRSCGBM-HHHXNRCGSA-N 466.537 5.632 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1C#N 409142257 XFXYUXXVGAYSSC-HSZRJFAPSA-N 475.932 5.004 50 40 JKGB O=C(NNC(=O)c1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 409225141 OVYCLOWVIFERDG-UHFFFAOYSA-N 496.272 5.339 50 40 JKGB CC1(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SCCS1 409257160 RFFMCZQCGWXXFH-FSJBWODESA-N 455.432 5.609 50 40 JKGB COc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409377471 INHSJKCRGRYEMO-KVSWJAHQSA-N 498.838 5.607 50 40 JKGB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 409377931 KRGDRJFWXKQNSW-SFQUDFHCSA-N 479.895 5.051 50 40 JKGB O=[N+]([O-])c1ccc([C@@H](Br)[C@H](Br)c2cccc3ccccc23)c([N+](=O)[O-])c1 4265713 DLTPISAPTRFIEL-QZTJIDSGSA-N 480.112 6.228 50 40 JKGB biogenic O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccc(OCCc3ccccc3)cc2)[nH]n1 9374595 SHNBYADDVGGJHU-NDZAJKAJSA-N 476.536 5.321 50 40 JKGB COc1ccc2cc(/C(C)=N/NC(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc34)ccc2c1 12560606 CJAQYJPHVCFFIL-KCSSXMTESA-N 479.967 6.871 50 40 JKGB CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)cc1 13711693 ABLCMVJOXAFKBD-XLNRJJMWSA-N 482.609 6.248 50 40 JKGB O=C(N/N=C/c1cccc(OC2CSC2)c1)c1ccc(CSc2ccc(Cl)cc2)cc1 16157589 OPQAXARBYZDAQI-LGJNPRDNSA-N 469.031 5.890 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 16689289 WBKXLQTYRFZCKS-WJDWOHSUSA-N 492.419 5.379 50 40 JKGB O=C(N/N=C/[C@@H]1C[C@H]2C[C@@H]1[C@@]1(F)C(F)(F)C(F)(F)[C@]21F)c1sc2ccccc2c1Cl 35183215 CQBOJQYDZLICJW-SDGWJGBZSA-N 466.834 5.627 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 35340080 JHIOWGHIYKBCGE-RMORIDSASA-N 460.298 6.140 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)c(C)c1 58913476 AACONFYDIYMNNY-UXHLAJHPSA-N 480.568 5.592 50 40 JKGB Cc1ccc(N2Cc3ccc(C(=O)N/N=C\c4c5ccccc5cc5ccccc45)cc3C2)cc1 83318405 STSUMGQGHKJFLT-CAQPMQTCSA-N 455.561 6.586 50 40 JKGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1 107566824 FTBBWIOBHBOVLE-KKMKTNMSSA-N 490.774 5.948 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc2ccccc2c1)c1cc2cc([N+](=O)[O-])ccc2s1 107650022 GIJOPNWRNFBQOH-LQKURTRISA-N 481.533 6.306 50 40 JKGB CC(C)N1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2[C@@H](C)CC1(C)C 223556858 CUTQIGLAWZWZSC-PMFHANACSA-N 456.417 7.040 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC 408539811 ZBXGIPLYQKLNFM-XQNSMLJCSA-N 483.052 7.641 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 408580282 NVPUHUHSOZSFKE-DEDYPNTBSA-N 453.947 5.879 50 40 JKGB COc1ccc(/C(C#N)=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1OC 408583235 STRHAAYJXNQTNL-FYJGNVAPSA-N 490.386 7.807 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1C 408592097 XQIDOYUDSLCSBU-OPEKNORGSA-N 450.753 5.827 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1Cl 408734490 HBWILFOXDDDJTF-WOJGMQOQSA-N 468.782 6.364 50 40 JKGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br 408737603 FNSNWDHEEXHKBO-LGJNPRDNSA-N 468.738 5.317 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1C 408743527 GLJZPKNPXONYDF-PDGQHHTCSA-N 479.334 5.619 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cccc([N+](=O)[O-])c1 408787815 GQHXPLGFKXEKHF-VXLYETTFSA-N 477.904 5.690 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(F)cc1 408790705 XUVDIKVTPUAAOE-CIAFOILYSA-N 478.951 6.619 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1 408811441 QZQWAGKZQFIGLE-ALDSOSFCSA-N 459.933 5.142 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Br)c1)C(=O)Nc1ccc(F)cc1 408859763 ZLIMVEBMNKNPNB-LICLKQGHSA-N 485.740 6.366 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(Br)c2)cc1 408869404 CYLULTCRFONWRE-XDHOZWIPSA-N 465.322 5.733 50 40 JKGB CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1 408883142 RQMHQLBFFLFJMR-KPKJPENVSA-N 484.575 5.809 50 40 JKGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc(OC(=O)c2cccc3ccccc23)c1 408899129 ZIXNXJWCVPBBCZ-LQKURTRISA-N 458.901 5.242 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1cccc(F)c1 408899202 NZQFGLOOTQFBMA-MHWRWJLKSA-N 485.298 5.906 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409006404 JCXXQOOZRNPHFJ-ZHZULCJRSA-N 489.959 5.610 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 409045540 ZBPIDQZVMKGVJD-LDADJPATSA-N 478.302 5.439 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)c(C)c1 409052863 BAGHMCKFGLTJHZ-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB CCN(CC)c1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)cc1 409207796 ACGILSHWJJEDNC-JVWAILMASA-N 469.054 5.836 50 40 JKGB N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 409221053 KCYIUPUQSVQZFU-UVTDQMKNSA-N 461.237 6.274 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccccc1Cl 409263562 HRNNWILXQPHZEL-XMHGGMMESA-N 475.932 5.302 50 40 JKGB O=C(N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)C(c1ccccc1)c1ccccc1 409392522 QAFLBUZPNHYWKD-FADJLKOXSA-N 493.610 7.125 50 40 JKGB COC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2C)=C(C#N)[C@H]1c1ccccc1Cl 1294985 DWPCONSQELLZNQ-HSZRJFAPSA-N 482.005 5.198 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)S(=O)(=O)c1ccc(Cl)cc1 1915722 SSMBGZSVBUCXST-XQNSMLJCSA-N 459.954 6.411 50 40 JKGB Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c(C)c1 2643620 QIJMHKGDCGPHHD-FYJGNVAPSA-N 462.391 6.328 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OC(=O)c1ccccc1Cl 3116332 HVIXPUYPJSRISN-RWPZCVJISA-N 480.948 5.104 50 40 JKGB O=C1c2ccccc2O[C@@H](c2ccccc2)[C@]1(Br)[C@H](Br)c1ccccc1 3138107 ONSKQBKXYIPURM-HJNYFJLDSA-N 472.176 6.273 50 40 JKGB CC(C)(C)[C@@H]1CCc2nc(NC(=O)/C(C#N)=C/c3ccc(-c4ccccc4Cl)o3)sc2C1 3207588 DOQOQCWWEOQVGF-ASNKMWSDSA-N 466.006 6.753 50 40 JKGB N#CC1=C(N)OC2=C(CCC/C2=C\c2cccc(Br)c2)[C@H]1c1cccc(Br)c1 3663041 GFXFWHBCSPOBRV-IGEMGIOYSA-N 498.218 6.541 50 40 JKGB O=C(c1ccccc1O)[C@H](Br)[C@@H](Br)c1ccc(Br)cc1 4277152 USHFJCAKMGBWRZ-UONOGXRCSA-N 462.963 5.237 50 40 JKGB COc1ccc(Cc2nc3ccccc3n2CC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1OC 9270879 HEDAVTGKHYNVSB-CCVNUDIWSA-N 497.382 5.101 50 40 JKGB CC(C)c1ccc([C@@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)cc1 9693337 FQIDWCGSCLZKNL-FQEVSTJZSA-N 468.420 5.792 50 40 JKGB CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc4ccccc34)s2)cc1 12275946 ASHIFEMFMCCUAU-JJIBRWJFSA-N 481.621 7.002 50 40 JKGB C/C(=N\NC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(C2CCCCC2)cc1 12560671 JYRWPAMOVWKFCJ-NDZAJKAJSA-N 453.611 7.165 50 40 JKGB C/C(=N\NC(=O)Cc1ccc(Br)c2ccccc12)c1ccc(-c2ccccc2)cc1 15134224 BRQCAXCTPOMZLC-MTDXEUNCSA-N 457.371 6.352 50 40 JKGB N#C/C(=C\c1ccc(Br)cc1)c1nc(-c2ccc3sc4ccccc4c3c2)cs1 15906555 QJPONZVZUWQEMQ-GZTJUZNOSA-N 473.420 8.005 50 40 JKGB CCOC(=O)Cc1sc2nc(-c3ccccc3)nc(Br)c2c1CBr 16682887 QMZDNAIHCYMBQY-UHFFFAOYSA-N 470.186 5.121 50 40 JKGB CC(C)(C)[C@H]1CC2=C(OC(N)=C(C#N)[C@@H]2c2cccc(Cl)c2)/C(=C/c2cccc(Cl)c2)C1 22002249 NVXPHPHALPJSSC-KHRNMYNUSA-N 465.424 7.595 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(OCC)c1OCc1ccccc1 33850455 VXYITUOXSJXLAQ-IWIPYMOSSA-N 482.536 5.637 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc(C(C)C)c(OC)cc2C)c(C(=O)OCC)c1C 34896691 XPBDOVMBWABNAH-ODLFYWEKSA-N 497.613 5.569 50 40 JKGB CC[C@H](C)Oc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OC 35153722 COPLDMUQSKFAPT-IXORVSQSSA-N 485.378 5.561 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc([N+](=O)[O-])cc1 59335916 MPNIGDSQAYQIOH-LFIBNONCSA-N 455.301 5.855 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccccc2N)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 108169820 WZTRJUQQHGVJIE-XODNFHPESA-N 451.357 5.651 50 40 JKGB CC(C)(C)[Si](C)(C)O[C@@H](CBr)c1ccc(OCc2ccccc2)c2[nH]c(=O)ccc12 196293615 JQJUYDQHSZTDDO-NRFANRHFSA-N 488.498 6.565 50 40 JKGB in-vitro COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c3ccccc32)c1 408544859 XZWCEZOLTKOASJ-ZHZULCJRSA-N 469.928 5.675 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccccc1F 408580360 OVUMPLPAAPUGDZ-RQZCQDPDSA-N 476.762 7.828 50 40 JKGB O=C(CSCc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 408725868 IYSQURLDWIIUJZ-AUEPDCJTSA-N 464.330 5.545 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1 408753028 GYIUECDQTILXRK-NBVRZTHBSA-N 497.370 5.071 50 40 JKGB C/C(=N\NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(Cl)cc1 408784884 WECQDJSZNYMTPV-JOWQQVNMSA-N 463.990 5.268 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)Nc1ccccc1 408815689 TVENKDVJTPLFAN-LTGZKZEYSA-N 483.365 6.727 50 40 JKGB O=C(N/N=C/c1cc(Cl)ccc1O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 408847635 TWDNZXFWINFSGC-RPPGKUMJSA-N 483.380 6.330 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)cc1O 408848873 WTIREQUIFLRPGF-UVHMKAGCSA-N 493.972 5.594 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccccc2Cl)cc1 408878949 DGXNRSCEKZNHPI-XSFVSMFZSA-N 462.933 5.872 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)c1 408890910 IHZPRTVCYCYPOM-UDWIEESQSA-N 451.353 6.735 50 40 JKGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)c(Br)c1 408894366 HWNWYEFTTCXVRR-IZZDOVSWSA-N 488.994 6.373 50 40 JKGB N#C/C(=C\c1c(OCc2cccc(F)c2)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 408894648 IMSHBXNZSRSMDL-XSFVSMFZSA-N 490.456 7.122 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCc1cccc(C)c1 408991687 QXIFCSBVYBTDLX-OYKKKHCWSA-N 486.999 6.819 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OCC)c1OCc1cccc(F)c1 409070636 DDXIMCPMINNFHA-HYARGMPZSA-N 453.517 6.472 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OCC)c1OCc1ccccc1 409250308 WYJINOIPSMSQIU-RRAHZORUSA-N 480.608 6.049 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1ccc(F)cc1 409394342 ZEIBOCXRYMQFFJ-NVMNQCDNSA-N 456.286 6.379 50 40 JKGB Cc1ccc(-c2cc(C(=O)NNC(=O)Nc3ccc(Cl)c(Cl)c3)c3ccccc3n2)c(C)c1 648225 FMIXTFXMAOBIRA-UHFFFAOYSA-N 479.367 6.292 50 40 JKGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 1906023 QHLNFOIZLLTDAB-YBFXNURJSA-N 466.404 6.165 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 3176329 OYLPCIQOXTVQJW-XGVLDKRDSA-N 484.408 5.532 50 40 JKGB COc1cc(/C=C(\C#N)c2cccc(Cl)c2)c(Br)cc1OCc1ccc(F)cc1 4196378 OIZQGODFDNZCPF-GIJQJNRQSA-N 472.741 6.893 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3cccc(Br)c3)c2C)cc1 6279975 OLUISQQSOGRSKW-DHRITJCHSA-N 470.436 5.549 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Br)cc1 12628716 XEOPARUUWBKDFV-XDHOZWIPSA-N 465.303 6.009 50 40 JKGB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1 13865785 FQWUSWGFILZXIG-UHFFFAOYSA-N 494.938 5.862 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(Cl)cc1Cl 15231292 LDSHBUXIRUDUCO-CHHVJCJISA-N 498.204 5.729 50 40 JKGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 20240659 SJAOQZHKWDTPEU-UXHLAJHPSA-N 480.439 6.212 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(O)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 30743235 FXVPYPOEZDGVKI-RHANQZHGSA-N 499.640 5.488 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1O[C@@H](C)CC 33560400 GHIAAKJRCKDWGT-FBKCMUNRSA-N 459.340 5.276 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 33705416 NACRDSFZRALWLM-YBEGLDIGSA-N 471.409 7.104 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cccc(Cl)c1Cl 39884621 DKVBUESFOSWKFA-JLHYYAGUSA-N 462.130 6.562 50 40 JKGB O=C(OCC1c2ccccc2-c2ccccc21)n1cc(-c2noc(CCl)n2)c2ccccc21 98072724 WRXXFUJGWLIKEU-UHFFFAOYSA-N 455.901 6.227 50 40 JKGB O=[N+]([O-])OC12C[C@@H]3C[C@H](C1)CC(P(=O)(Cl)C14C[C@@H]5C[C@H](CC(O[N+](=O)[O-])(C5)C1)C4)(C3)C2 103437665 IRTKAOCEHAXDPQ-PIHXUHDGSA-N 474.878 5.103 50 40 JKGB CCCCCCCCOc1ccc(Br)cc1/C=N\NC(=O)Cc1cccc2ccccc12 106430002 JFANJDUBGXZSLS-BRPDVVIDSA-N 495.461 7.034 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(OCc2cccc(C)c2)c(Cl)c1 107721989 VDXKOVBDTDFVML-FJEPWZHXSA-N 493.390 6.807 50 40 JKGB CCN1c2ccc(/C=N/NC(=O)COc3ccc(Br)cc3)cc2[C@H](C)CC1(C)C 208302889 DUDBWHLLLGPRSW-FRQJIFLKSA-N 458.400 5.090 50 40 JKGB Cc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 209491424 PEYCWOUQTRYARY-VXLYETTFSA-N 473.197 7.708 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12 408545498 ZGSGBESOPAILSM-YBEGLDIGSA-N 459.889 5.488 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2OC(F)F)cc1)c1nc2ccccc2[nH]1 408604432 JAFLJAXKOYRUQP-GHRIWEEISA-N 460.440 5.246 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)N(CC)c1ccccc1 408605252 LIBHMHSJLIBHBR-XQNSMLJCSA-N 494.595 6.075 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)c1ccc(N2CCCC2)cc1 408678396 YJLRVLHQAQKMKD-WPWMEQJKSA-N 478.390 5.392 50 40 JKGB Cc1c(/C=N/NC(=O)CNc2ccc(Br)cc2)c2ccccc2n1Cc1ccc(F)cc1 408691847 UFGDQRRIXKUUHZ-IPPBACCNSA-N 493.380 5.462 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OC(C)C)c3)c2C)cc1 408778185 QJGYOSDPIDLVSE-HAHDFKILSA-N 471.557 5.604 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1ccc(F)cc1 408790700 XUMWUAZXJLCKRD-FYJGNVAPSA-N 478.951 6.565 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Cl)c(C)c1 408791386 WXEUUYXTFQEBCT-UDWIEESQSA-N 495.804 6.844 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1c(C)ccc2ccccc12 408806358 MTDRGWZXLOTQPU-HYARGMPZSA-N 493.519 6.190 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(F)cc1 408813184 OPACJLYMULXSPW-WKIKZPBSSA-N 452.869 5.577 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)c2cccc(Cl)c2)c1Cl 408815179 IQMSBBLYJVLIGJ-GXDHUFHOSA-N 461.732 7.224 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OC(C)C 408819920 ZFQBYHSWIAJJMK-VCHYOVAHSA-N 457.368 5.798 50 40 JKGB Cc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 408879809 FUEIWMGWGURKDP-LDADJPATSA-N 461.861 5.322 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1OCc1ccccc1Cl 408882459 OHZLJBSRYCSDDK-LDADJPATSA-N 462.889 5.171 50 40 JKGB N#C/C(=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1)C(=O)Nc1ccc(Br)cc1 408891425 QJEPZQMBAPDADV-LICLKQGHSA-N 489.285 5.567 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(F)c2)cc1 408896919 UVDXRZSUMVFROM-CPNJWEJPSA-N 450.897 6.002 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Cl)c1OCc1ccccc1Cl 408898819 NCGRKWBHASMNQG-OKCVXOCRSA-N 493.390 6.888 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc(Br)cc2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 408904727 NQXWNVQWQDDRQC-MXAYSNPKSA-N 494.301 5.446 50 40 JKGB N#C/C(=C/c1cccc(OCc2cccc(F)c2)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408940038 TWNXXBMXBQLCLJ-XYGWBWBKSA-N 478.523 6.529 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)c(F)c1 408967967 TUMKGIDVYDAUMD-WKULSOCRSA-N 468.444 5.102 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 409196337 ZCVVQDDEKSEFLB-OKCVXOCRSA-N 475.951 6.230 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1 409269897 AUHCAJHHQCGPEZ-BKUYFWCQSA-N 473.960 5.828 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1OCC 409325269 XKQYPPFVAIHLPJ-MWLSYYOVSA-N 499.394 6.300 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCc2ccccc2)cc1OC 409332824 NACWRWNQVAKLIZ-YUMHPJSZSA-N 497.389 5.589 50 40 JKGB CCc1ccc(CC(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 409362181 GDFAQQOYMORXGR-UXHLAJHPSA-N 456.973 6.327 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Oc1nc(Cl)ncc1F 1774410 HPKSXDNBGSQVCZ-JYRVWZFOSA-N 459.264 5.269 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(NC(=O)c3cccc(Cl)c3)Oc3ccc4ccccc4c32)cc1 1893630 BOQVXPRXJAAEFX-RUZDIDTESA-N 466.924 6.191 50 40 JKGB Cc1ccccc1[C@H]1C(C#N)=C2N=C(N)c3c(sc4c3CCCCC4)N2C2=C1C(=O)CC(C)(C)C2 2185970 GSLCULXPGCZSDY-QHCPKHFHSA-N 482.653 6.027 50 40 JKGB aggregator Cc1ccc(NNC(=O)C(O)(c2cccc(C(F)(F)F)c2)c2cccc(C(F)(F)F)c2)cc1 2272416 AHWLNYUKCUYVBM-UHFFFAOYSA-N 468.397 5.412 50 40 JKGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 2738238 MGDJVRCVWWMNEO-NBVRZTHBSA-N 459.336 6.392 50 40 JKGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cccc(OC(F)(F)C(F)F)c1 2754632 ICXCHKLSBLFAMP-YPXUMCKCSA-N 475.225 6.254 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCCOc1ccc([N+](=O)[O-])cc1 4182065 MLGGFPBXMSUCNE-XMHGGMMESA-N 461.430 5.034 50 40 JKGB COc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Cl)c1OCCOc1ccc(C)cc1 4207679 MPVBFBMHNDBHAV-WGOQTCKBSA-N 453.926 5.270 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OCc4ccccc4)c(OC)c3)n2)cc1OC 9075320 XKIPYLRNKAXCSY-XKZIYDEJSA-N 484.577 6.479 50 40 JKGB Cc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1F 11853096 LFMVLTARPOELNG-UVTDQMKNSA-N 482.334 6.103 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1OC 11853138 CIPUEYGQUPIRCJ-RAXLEYEMSA-N 465.884 6.476 50 40 JKGB CCCSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2OC)=C(C)N1 13045501 WGPNNQFTTJDXBC-QFIPXVFZSA-N 453.995 5.826 50 40 JKGB Cc1c(C(=O)N/N=C/c2ccc(C(C)C)cc2)sc(/N=C/c2ccc(C(C)C)cc2)c1C#N 15018643 VMAWACRIPPWQBC-CMNXJCJSSA-N 456.615 6.690 50 40 JKGB COc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1OC 16959932 IZPUNQYNDJQPIH-SDNWHVSQSA-N 465.918 5.564 50 40 JKGB Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)CCSc3ccccc3)c2C)c1 20243904 OZHONXMRDLZMCD-CVKSISIWSA-N 484.463 6.106 50 40 JKGB CCCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(SC)cc2)/C(=C/c2ccc(SC)cc2)C1 20459129 RMDXCEMHNIWKNP-FECOFQHFSA-N 475.683 6.001 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccccc1Cl 26123400 CDZQGZGATPQYFE-DHRITJCHSA-N 473.754 5.454 50 40 JKGB O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1ccc(Cl)cc1 32576853 SPHQSNKDFBNCBZ-ZMFRSBBQSA-N 469.397 5.634 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)c(C)c1 33592258 KSVOGNHSHSHZQN-QNGOZBTKSA-N 469.541 6.847 50 40 JKGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 58893065 OVYBAEAYSMDKJD-RLWVUDJFSA-N 498.421 5.219 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(F)cc2)c(C)c1 59201817 JAHBOTBJTBCCLH-UDWIEESQSA-N 479.349 6.330 50 40 JKGB N#CCC(=O)N/N=C/c1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)o1 59474771 DSAACQNTRVFHQH-RDRPBHBLSA-N 492.564 5.119 50 40 JKGB C[C@H]([C@H]1CCC[C@H]1P(C1CCCCC1)C1CCCCC1)P(c1ccccc1)c1ccccc1 60291152 YCLRKHVADAQIPR-KVXGTOJUSA-N 478.641 8.824 50 40 JKGB Cc1cc(OCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc(C)c1Cl 67192504 PWGLRSNJUVYYJA-KIBLKLHPSA-N 451.737 6.053 50 40 JKGB COC(=O)/C(C#N)=C(/Cc1ccccc1)C1=C(N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)CCC1 95951356 NKPZCNZWDHYXLY-BMWSCGDOSA-N 486.612 5.203 50 40 JKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 96398825 OUQVTLDCUIBFFC-CYVLTUHYSA-N 454.917 5.747 50 40 JKGB CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@H](SC#N)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118932548 OZCSWRIJMBFXQD-ODTMJQNISA-N 485.778 8.152 50 40 JKGB CCCCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 408538383 LZSOVXYXWVRLGE-QNGOZBTKSA-N 499.449 7.051 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccccc4Cl)c(Cl)c3)CC2=O)cc1C 408603329 GKIYNDQLIFECEH-IBGZPJMESA-N 498.410 5.685 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1cccc(Cl)c1 408606103 NZVXOTJLROMXNM-YBFXNURJSA-N 486.959 5.923 50 40 JKGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 408732030 OHKPVQPXNBMLGY-NJZRLIGZSA-N 486.531 6.483 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 408744365 FDTIKEOLWBOLLD-SFQUDFHCSA-N 454.755 6.056 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(F)cc1 408796166 XGFQPBGQMSYYPV-WOJGMQOQSA-N 485.342 6.656 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(C(=O)O)cc1 408817914 YSVUGDYGVXSUAM-NTFVMDSBSA-N 454.482 5.202 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1cccc2ccccc12 408851864 AWKHOJNBRCQAOF-YKQZZPSBSA-N 464.521 6.328 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1Cc1ccccc1Br 408866178 GHAVDKDTGSUDCS-LPYMAVHISA-N 475.386 6.211 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)c(OCC)c2)cc1 408876056 MLFRWAVEGUIHLD-WGOQTCKBSA-N 482.580 6.015 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Cc3cc(C)cc(C)c3)ccc3ccccc23)cc1 408882213 LUHHDHLQWZOPFQ-ZXVVBBHZSA-N 488.587 6.770 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(F)c2)cc1Cl 408891960 WKAPVOUCMSARGX-VCHYOVAHSA-N 455.316 6.566 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1cc(C)cc(C)c1 408894299 HKBJTJITXZPGNA-WSDLNYQXSA-N 460.961 6.399 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1ccc(C)cc1 408894643 IMIPBFIQKIGZNX-HYARGMPZSA-N 456.498 5.217 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c1OCc1cccc2ccccc12 408895841 OHGPVUWRSPUMSH-XQNSMLJCSA-N 478.504 5.671 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)o1 409043017 YXKOIOQIAIBEJB-RHANQZHGSA-N 492.491 5.843 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 409188602 FJFPKPVJGNJBCH-OKCVXOCRSA-N 492.406 6.744 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)C(=O)NC1CCCC1 409196498 ZRRJTNADLNGORE-YVLHZVERSA-N 459.771 5.647 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)NCCCc1ccccc1 409239144 GQGBRZMFXJDQOT-BKUYFWCQSA-N 499.825 6.882 50 40 JKGB Cc1c(/C=N/NC(=O)CNC2CCCCC2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 409370194 MQBLKXXZJDDRHH-IPPBACCNSA-N 471.432 5.677 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(c1ccccc1)c1ccccc1 409391565 JTQNLHQBACWOPO-JVWAILMASA-N 459.889 5.790 50 40 JKGB Cc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)NC3=C2C(=O)CCC3)cc1 729010 NQTAFSYGNILFMH-QHCPKHFHSA-N 463.990 5.449 50 40 JKGB C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 1905953 NUYPCTPULLWJPL-GZTJUZNOSA-N 470.381 6.151 50 40 JKGB CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 2553597 SNPSXKQMCIZWAM-WOJGMQOQSA-N 469.532 6.596 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)NC1CCCCC1 3765179 IFTFMGIPOXRITQ-LTGZKZEYSA-N 489.413 6.537 50 40 JKGB CCC[C@H](C)c1ccc(OCC(=O)N/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 8384937 BYPZOQVFORDNKS-GPXYMTOFSA-N 466.585 5.972 50 40 JKGB Cc1ccc(Cn2c(SCC(=O)N/N=C/C(Cl)=C/c3ccccc3)nc3ccccc32)cc1 9635849 FMKHOTPQCWILIO-LPBXYBGUSA-N 475.017 5.867 50 40 JKGB O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(F)cc1)N2 12375675 SIPUAVBPFFADQX-JCTDHXFVSA-N 498.963 6.471 50 40 JKGB Cc1ccccc1C[C@H](C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1 16157923 PXBJTIURWYYXSH-UPSBPNDASA-N 477.391 7.038 50 40 JKGB C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2cccs2)cc1 20158556 PWAPEBGXMXPKGV-DHRITJCHSA-N 453.976 6.023 50 40 JKGB CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 20347641 WPGWZLKXPSCCPL-QHCPKHFHSA-N 486.424 5.959 50 40 JKGB O=C(CCl)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C[C@H]1c1ccco1 23055279 SZWSDQSOKMRSLK-IBGZPJMESA-N 466.324 5.358 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccccc1Cl 33778165 VWKVGEPJQFCMLP-WYMPLXKRSA-N 452.923 5.634 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2OC)cc1 59116964 XQFUEUWIONOSGR-QGOAFFKASA-N 462.889 5.122 50 40 JKGB CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 59336325 MGZIVHYHPSTWSZ-QNGOZBTKSA-N 466.412 7.289 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc(OCc2cccc3ccccc23)c1 59435235 OGCSUNUGQFWXEC-LQKURTRISA-N 467.550 5.802 50 40 JKGB CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C\c2cc(O)c(Br)cc2Br)cc1 67197115 RYVSCTBGGZBZPE-AIAQCLFOSA-N 494.227 5.469 50 40 JKGB C[C@@H](I)C[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95677030 BQEKWBVYUIERMQ-QWWZWVQMSA-N 454.017 5.235 50 40 JKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 98001277 WKZHHPJHWOWBDJ-MWAVMZGNSA-N 481.036 7.883 50 40 JKGB Cc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1Cl 100712818 CEGIKCRIYKXHCF-UVTDQMKNSA-N 498.789 6.617 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccccc1 108254656 IEMXBDPAQOMORQ-ZDLGFXPLSA-N 463.877 5.338 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Cl)c1O[C@@H](C)CC 108975684 RHPKDVSZTQZWQM-ZXSUQFSISA-N 454.954 5.842 50 40 JKGB CCc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4c(Cl)cccc4Cl)c3)CC2=O)cc1 408604335 IEEIQKSOSUYUEP-SFHVURJKSA-N 498.410 5.631 50 40 JKGB CCc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)CC2=O)cc1 408610949 VFKLMNKABILZDS-IBGZPJMESA-N 498.410 5.631 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccccc3C)n2)c1 408724012 CHECANYNPNPVAW-RUMWWMSVSA-N 486.575 6.287 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1OCc1ccccc1 408746528 ZTUXBFZTINRLDU-BWAHOGKJSA-N 482.580 6.337 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OS(=O)(=O)c1ccc(C)cc1 408754193 IVRIGZBUKNOBHG-CJLVFECKSA-N 498.560 5.470 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)c1C 408793821 GSQXQDHPJXHMCJ-UFFVCSGVSA-N 476.363 6.607 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Br)cc1 408795332 MCHWGIJPXSNKRW-CPNJWEJPSA-N 477.314 5.272 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408796387 OXGLBCVFKASYMK-DEDYPNTBSA-N 451.353 6.680 50 40 JKGB COCCCNC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12 408807914 PDVIVXWQOUZQIK-LDADJPATSA-N 456.373 5.365 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(Cl)cc1Cl 408816607 LWXZPSACQMIQKF-YVLHZVERSA-N 471.315 6.266 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCC#N)cc4)cc3)cs2)cc1 408847773 UMTZSPIOKLQPIO-LQKURTRISA-N 467.554 5.528 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1 408854829 JTJSBHKKZRAZMT-RGVLZGJSSA-N 464.924 6.229 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(F)c(Cl)c1 408858225 QVYIEPDFJYNKBV-RAWMCFOBSA-N 488.744 6.159 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1Cc1ccccc1Br 408874171 ABDNFZGWBMBDEE-HYARGMPZSA-N 475.386 6.157 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1cc(C)cc(C)c1 408898715 MLKNTKMDNOOEPB-WSDLNYQXSA-N 460.961 6.399 50 40 JKGB Cc1ccccc1C(=O)Nc1ccc2nc(Sc3ccc(C=C(C#N)C#N)cc3[N+](=O)[O-])sc2c1 408988482 DPOPNJDWELTRSP-UHFFFAOYSA-N 497.561 6.347 50 40 JKGB CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1nc2ccccc2o1 409041430 JKVAZAYKUAVKPN-MDWZMJQESA-N 462.141 6.206 50 40 JKGB O=C(CCc1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 409044533 VTUBHEITVIHLAG-CVKSISIWSA-N 471.782 5.764 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)c(Cl)c1 409059819 XORZUSGXLBIYBD-RPPGKUMJSA-N 492.200 6.407 50 40 JKGB COc1ccc2cc(/C=N/NC(=O)c3ccc(CSc4ccccc4)cc3)c(Cl)nc2c1 409186071 WERZHLVLFOIVQW-JFLMPSFJSA-N 461.974 5.953 50 40 JKGB CCc1ccc(CC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 409363039 JCVGOZUDGPNBHS-MBTHVWNTSA-N 471.384 5.836 50 40 JKGB Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 1888098 JRXYBCVCCYDMTE-NLTRVXJZSA-N 488.012 6.022 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1ccc(Cl)cc1 2077357 CFAVBDSVZRGHRR-JFLMPSFJSA-N 452.938 5.399 50 40 JKGB CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccc(Cl)c(Cl)c1 2761629 OUISVKTXLCXGJN-KIBLKLHPSA-N 497.839 5.113 50 40 JKGB COc1cc(/C=C(\C#N)c2cccc(F)c2)cc(I)c1OCc1ccccc1 2879351 UENFWRDSJFVIML-VXLYETTFSA-N 485.296 6.082 50 40 JKGB CCc1ccc([C@@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CC(C)(C)C3)cc1 3666088 RRFBBGSYWWKGGC-RUZDIDTESA-N 482.653 6.002 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1Cl 8438228 DOKQEQKTNWZLBN-XMMPIXPASA-N 478.976 5.769 50 40 JKGB N#CC(C#N)=C(C1=C2C=CC=CN2[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 8844863 XYBATOCFWBCVRD-JDXGNMNLSA-N 485.974 6.829 50 40 JKGB Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 9200676 WUGOWSCEFWVRLC-DHRITJCHSA-N 457.755 5.754 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)NCc2ccco2)c2ccccc2n1Cc1ccc(Br)cc1 9311514 SRGFYQKIAXIUGG-UYRXBGFRSA-N 474.358 5.577 50 40 JKGB CC(C)CCOc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1Br 12137065 ACASGWNBJMVACG-KRWDZBQOSA-N 499.405 5.256 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1 20170598 RUTCVKFKZFOSOD-VWLOTQADSA-N 484.581 5.295 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(CSCc2ccccc2)cc1 20522897 JYYBPGIRVJMNJZ-JVWAILMASA-N 471.538 6.052 50 40 JKGB C/C(=N\NC(=O)CSCc1ccccc1C)c1cccc(NC(=O)c2cccc(Cl)c2)c1 33470501 PTKJXOXXKITYPB-MTDXEUNCSA-N 466.006 5.674 50 40 JKGB COc1cccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccccc4O)cc3[C@@H]3C=CC[C@@H]32)c1OC 36080575 BODRVHJCHJUIAK-KTDAGIFYSA-N 483.568 5.390 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 59536141 YODRURDIUOKIEI-LDADJPATSA-N 453.325 6.127 50 40 JKGB CC1(C)CC[C@@]2(C(=O)NN)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 108234474 APYOKISKLZLBOK-VUJDVLHSSA-N 486.741 5.110 50 40 JKGB CCN1c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc2[C@@H](C)CC1(C)C 223529160 ZSOXTGFKWFXPHX-CQGIGXBHSA-N 455.602 5.185 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCC 408536729 AROLNNYYTAVLBM-ZHZULCJRSA-N 485.422 6.661 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1cccc2ccccc12 408567629 FWIVINJAZAGNFH-JAIQZWGSSA-N 483.930 7.160 50 40 JKGB CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2c1 408771038 DSHSZPJZCXWCPQ-ATVHPVEESA-N 465.347 5.945 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccccc1Cl 408782712 YNWRGPKOICFDEF-ODLFYWEKSA-N 473.798 5.842 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c1C 408802527 YMLJSPDEVKZBSZ-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB N#C/C(=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 408804436 FYRWXCNNYLZEIF-XSFVSMFZSA-N 494.463 5.781 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1 408809369 GSRIUVSWFQZIPN-XKZIYDEJSA-N 476.960 5.550 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OC(C)C 408812577 SRZAMUFANQQVAB-MHWRWJLKSA-N 459.340 5.189 50 40 JKGB CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccccc1 408820638 XPPHYRNFKBYGNV-VEJKBTLKSA-N 492.211 5.612 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(C)c1OCc1ccc(Cl)cc1 408844232 BOSUJBUJDMPXQL-UDWIEESQSA-N 451.353 6.735 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Cl)C(=O)Nc1ccc(Br)cc1 408865765 FIRBTNHUDCPQFZ-LDADJPATSA-N 486.196 6.892 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Br)cc1 408872523 FSCVBVAFTRORPI-XSFVSMFZSA-N 465.778 6.547 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Cc2ccccc2Cl)c1 408875249 HXSSBVVYWUGSHX-RGVLZGJSSA-N 451.353 6.447 50 40 JKGB O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)c1ccc(Cl)c(Cl)c1 408886364 GLDJYWNWUNRYTM-KBKYJPHKSA-N 468.167 6.643 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OC(=O)c1ccc(OC)cc1 408891432 QKHNCRIUKZIQON-XSFVSMFZSA-N 490.943 5.821 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(OCc2cc(C)cc(C)c2)c1 408898733 MRQLFQFFXVIWNC-WSDLNYQXSA-N 460.961 6.399 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2)ccc2ccccc12 408926275 WRILMTULUHPXNM-PXLXIMEGSA-N 463.493 6.181 50 40 JKGB N#C/C(=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1 409087256 XYOSEFUNKQDSQZ-RVDMUPIBSA-N 464.821 5.494 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409090912 NPQXXHINCAWXTN-LFIBNONCSA-N 472.413 5.899 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccccc1OCc1ccc(Cl)cc1Cl)OCO3 409094896 GPBWRRNOLSJHFU-QHCPKHFHSA-N 467.308 5.519 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)c1ccc(Cl)cc1 409192655 DKRUSWOUIYZMQC-BRJLIKDPSA-N 461.718 5.585 50 40 JKGB Cc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1 409225474 QBRNUTNAZFIDMB-ZRGSRPPYSA-N 461.732 5.938 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC(=O)Nc1ccccc1Cl 409264895 MRPRSALBCLLIOC-QGOAFFKASA-N 491.931 5.007 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(Br)cc2)c2ccccc2n1Cc1ccccc1Cl 409357071 INFZTHPNQMPDCR-MZJWZYIUSA-N 480.793 6.178 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc2c(c1)OCO2 409368960 UVUQKQQJBKQSJA-OPEKNORGSA-N 487.737 5.174 50 40 JKGB CC(C)(C)[Si](C)(C)OCCCCCCCCCCCC=CCCCCCCCBr 2362804916 QWRVVEDIBBBTPR-UHFFFAOYSA-N 489.699 10.201 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccccc1Cl 649465 LLOHOXXLEFDRRX-HSZRJFAPSA-N 464.949 5.378 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCc3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 1790437 KFPCPYPHHLONNI-NLTRVXJZSA-N 488.012 5.391 50 40 JKGB O=C(NNc1ncc(C(F)(F)F)cc1Cl)Nc1cccn1-c1ncc(C(F)(F)F)cc1Cl 3133297 ZANUHQRDRUXRCO-UHFFFAOYSA-N 499.202 5.760 50 40 JKGB CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4cccc([N+](=O)[O-])c4)o3)sc2c1 3667023 DKEDAYRTHLNDOG-WSDLNYQXSA-N 468.516 5.111 50 40 JKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1 6060050 NPGCTHAENDOCPM-NBVRZTHBSA-N 493.639 5.606 50 40 JKGB CCCCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(CCCCC)cc2)cc1 8386437 LWFATTQEGANKFK-QUPMIFSKSA-N 452.639 6.688 50 40 JKGB COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(C)(C)C)cc3)nnc2-c2ccccc2)cc1 9076561 XCCHNLFEIUGKGM-RDRPBHBLSA-N 499.640 5.483 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2Cc2ccccc2)c(C)n1CCC(C)C 12542972 NHNFONMEKJSXAB-OVVQPSECSA-N 483.612 5.831 50 40 JKGB COc1cc([C@H]2[C@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1ccccc1 13915380 OUUABTOZVPYXLW-HPJWIMSGSA-N 492.623 6.140 50 40 JKGB COc1ccc(/C(=C/C=C(C#N)C#N)Sc2c(Cl)c(Cl)nc(Cl)c2Cl)cc1 16215769 FUBAYPNQEFQCFC-QPEQYQDCSA-N 457.169 6.811 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccc(C)cc1 20760921 FNPATWHKRBHQIZ-CVKSISIWSA-N 467.363 5.499 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 23217271 RWJSGCPCGJUIRM-UKTHLTGXSA-N 468.263 5.172 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1ccccc1F 59332895 YGIJMLJVODZRAA-MOHJPFBDSA-N 485.559 5.059 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 83296548 ZRAIRWVBTBJBLP-OPVMPGTRSA-N 471.127 5.649 50 40 JKGB COc1ccc(C2=NO[C@](C)([C@H]3CC=C(C)/C(=N\NC(=O)c4cc5cc(F)ccc5[nH]4)C3)C2)cc1 100225961 KTLIHWUTBYFXDM-AYWXNXDPSA-N 474.536 5.341 50 40 JKGB CCCCCCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1 102954729 NBEWXRCHXPBGMV-DARPEHSRSA-N 450.598 7.671 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccccc1F 107580082 PUZNKZUVFLLXSC-YVLHZVERSA-N 456.286 6.379 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 108240789 ASNZIYRUKJLFLH-WKULSOCRSA-N 480.395 6.006 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c(C)n1-c1cccc(Br)c1 408532287 QEMAMDZUILWFFU-KVSWJAHQSA-N 493.327 5.438 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1cc(Cl)ccc1Cl 408552243 IJRTWGJOIHSBQJ-LICLKQGHSA-N 495.435 6.759 50 40 JKGB Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 408567930 GYAFTYPUIKYXMM-HMAPJEAMSA-N 496.973 7.406 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1ccccc1I 408587473 GEOXDYKFFGLJRK-FSJBWODESA-N 477.733 5.116 50 40 JKGB CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(I)c1OCC 408599595 XDDRMUOOYLUXQV-NTEUORMPSA-N 491.354 5.622 50 40 JKGB CCc1cccc(CC)c1N1C[C@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O 408653954 QFIJLQMGAWRUNP-CTNGQTDRSA-N 476.400 5.241 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1ccc(N2CCCC2)cc1 408678428 YZQNWXYLHNMDGY-LQKURTRISA-N 496.380 5.531 50 40 JKGB O=C(CSCc1ccccc1Br)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1 408719447 PGKXYQJEIVUYSL-AFUMVMLFSA-N 483.387 5.052 50 40 JKGB COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccc(C)cc3)n2)c1 408724189 HIDSFZLJUVAPJC-ZCTHSVRISA-N 490.563 5.782 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c1 408745984 PTRWHZYCRJOSOK-ZDLGFXPLSA-N 485.342 6.656 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OS(=O)(=O)c2ccc3ccccc3c2)cc1 408761559 GRXIBAZNYFTMJO-KQWNVCNZSA-N 468.534 5.462 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(C(C)(C)C)cc4)cc3)cs2)cc1 408849656 ZTXYYLBPBISPIX-STBIYBPSSA-N 468.626 6.924 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1cc(C)cc(C)c1 408885814 BFZAELLMIWGIKP-PCLIKHOPSA-N 454.570 6.389 50 40 JKGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)c(Br)c1 408891564 SLKKHKAQEKQOMF-XYOKQWHBSA-N 454.549 5.719 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 408893095 FFLZYZGOSZINHV-LTGZKZEYSA-N 468.940 6.626 50 40 JKGB O=C(N/N=C\c1cn(Cc2ccccc2F)c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2o1 408905417 YLBFTAHWQHOGOB-WKIKZPBSSA-N 456.433 5.247 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(-c2ccccc2)cc1 408960304 DNIDWGQWRKAYQL-RHANQZHGSA-N 478.508 6.179 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1cccc(C(F)(F)F)c1 408962148 GYJMDMHWNKMGCU-KVSWJAHQSA-N 495.270 5.950 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OCC 408965282 VGNPFOYTWNNEKI-BHGWPJFGSA-N 459.262 5.029 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 409004854 FPTIZYHQWGTYBO-XODNFHPESA-N 475.854 5.027 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1OCc1ccc(C)cc1 409077051 CVDNTTTZYXMJQQ-LFVJCYFKSA-N 468.553 5.953 50 40 JKGB Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 409120343 TZXBKIKRLVFHJD-JVWAILMASA-N 482.005 5.298 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1cccc2ccccc12 409127086 IORVMHXPUCWSRA-MUUNZHRXSA-N 479.580 5.547 50 40 JKGB Cc1ccc(SCCC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)cc1 409128848 SOFUMEBAKZTCFE-MFKUBSTISA-N 470.436 5.798 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)c1ccccc1 409236872 HQPFVNVWIXAQIL-JJWXFRNXSA-N 477.520 6.111 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)c(C)c1 409254701 FLHDACSVGKUKEH-XKZIYDEJSA-N 487.987 6.137 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1C 409259353 YQSNZYJWQJSRLH-XKZIYDEJSA-N 487.987 6.137 50 40 JKGB COc1cc(C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)ccc1OC(=O)c1ccco1 409397392 JHLNCTYDMUBTKT-UHFFFAOYSA-N 497.482 5.559 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)o2)cc1 1453957 JCSVARCLTBPWLK-GHRIWEEISA-N 465.303 5.431 50 40 JKGB COc1ccc(CN(CC[C@H](c2ccccc2)c2ccc(OC(C)C)cc2)C(=O)CCl)cc1OC 8691740 PVPILTHRWJFZAS-AREMUKBSSA-N 496.047 6.281 50 40 JKGB COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)c1 8817895 MEEZKSCBFPGKEP-CVKSISIWSA-N 484.025 5.355 50 40 JKGB O=C(N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccccc1O 8861641 YLQIPCBKRHNRIJ-FBHDLOMBSA-N 451.729 5.316 50 40 JKGB CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3c(=O)[nH]2)c1 15230935 JGVJPGNVZZWADP-PGMHBOJBSA-N 473.536 5.629 50 40 JKGB N#CC1=C2SCN(Cc3ccco3)CN2C(=O)C[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 20238399 KRJXSYNJRYTHML-HSZRJFAPSA-N 492.000 5.727 50 40 JKGB N#CC(NC(=O)c1ccc(F)cc1)=C(Sc1ccc(Cl)cc1)Sc1ccc(Cl)cc1 27988148 IKCYPUZZIBHGGU-UHFFFAOYSA-N 475.397 7.140 50 40 JKGB Cc1ccccc1CSCC(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 28215859 DZBGXGBTDZSJTH-DHRITJCHSA-N 470.436 5.549 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 30814047 WFWJCEGFWNFIMT-QDTIIGTASA-N 496.882 5.001 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1cccc(Cl)c1 33349302 HGNRNPRQBHRQDI-LJUMEUDFSA-N 498.966 6.981 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl 34889007 RURFNIUEJIBZDL-WKIKZPBSSA-N 491.758 6.029 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)c2C)c(C)c1 58913731 JJYTZYSLEBQYLG-FDAWAROLSA-N 494.595 5.379 50 40 JKGB Cc1cc(SCC(=O)N/N=C2/C[C@H](c3ccccc3)Oc3ccccc32)c(C)cc1Br 59365603 FAYLRPLVHQHGHI-DXTZOESMSA-N 495.442 6.202 50 40 JKGB O=C(c1ccc(-c2ccccc2)cc1)[C@@H](Br)[C@@H](Br)c1ccc([N+](=O)[O-])cc1 98042968 MBTSUOGHHPLZHK-PMACEKPBSA-N 489.163 6.344 50 40 JKGB C[C@@]1(CBr)[C@H]2CC[C@@]1(CBr)c1nc3cc(Cl)c(Cl)cc3nc12 103018145 KTPUHCVQFOHYGP-OCJYXSBASA-N 465.016 5.862 50 40 JKGB CCCCCCCSc1ccc(/C=C(/C#N)c2ccc(OCCN(CC)CC)cc2)cc1 104388324 HZTODXSQDYQRNV-ROMGYVFFSA-N 450.692 7.534 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OS(=O)(=O)c1ccc(C)cc1 408578655 AFMXHYNIVYESEA-GZTJUZNOSA-N 474.365 6.142 50 40 JKGB CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)ccc1OCc1cccc2ccccc12 408599799 ZZBASYAZKGVZOW-XQNSMLJCSA-N 477.589 7.351 50 40 JKGB CCc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4c(Cl)cccc4Cl)cc3)CC2=O)cc1 408604248 HWCSZULIBNCZAU-SFHVURJKSA-N 498.410 5.631 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1C 408606883 MMUMYQZMJRWKBK-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Br)c3)nn2-c2cccc(C)c2)cc1 408724234 INSYTAZWKXAWNI-JVWAILMASA-N 473.374 5.683 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)o1 408727275 YDNFDYROYXZIQX-FOKLQQMPSA-N 492.167 5.456 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc3c(c2)OCO3)cc1)C(=O)Nc1cccc(Br)c1 408756183 OFIXPCHBSXHAKB-ZDLGFXPLSA-N 477.314 5.302 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OCC)c1OCc1cccc2ccccc12 408785335 WLZRHSNQDQNWNP-XYGWBWBKSA-N 454.570 5.978 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 408792287 ALPNDQGAJCSXAX-DEDYPNTBSA-N 461.905 5.935 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 408793896 QUEKYENOKVCART-GIJQJNRQSA-N 499.767 6.675 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(I)cc3)o2)c1C 408799500 ZHMSTCJQQQCWQG-SFQUDFHCSA-N 468.294 5.714 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccccc1 408807385 CPBCFKKKYKEKTO-XDHOZWIPSA-N 475.932 5.220 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1OC(C)C 408807560 CRCQUGLRBPSBKJ-FSGOGVSDSA-N 467.569 6.012 50 40 JKGB CCOc1ccccc1NC(=O)N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 408816090 ISYIMBUMIPVBOA-FMCGGJTJSA-N 494.798 6.401 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1ccccc1F 408819051 ZSOQIWMMXSEUAR-SFQUDFHCSA-N 464.327 6.681 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc(Cl)c1OC 408830348 OCBMUIOKWHIRGZ-WOJGMQOQSA-N 483.351 6.135 50 40 JKGB C/C(=N\NC(=O)CSc1ccc(Cl)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 408864359 YZTLDSTZVSHIEV-JFLMPSFJSA-N 472.397 5.878 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3cc(C)cc(C)c3)ccc3ccccc23)cc1 408867641 KYCAHBSDJZQPIT-LGUFXXKBSA-N 460.577 6.992 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(O)cc1 408869810 UDCGKJGPPOZYSA-WOJGMQOQSA-N 467.750 5.945 50 40 JKGB CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccccc1-n1cccc1 408885953 HFIPEALRVBHCDS-YDZHTSKRSA-N 491.183 5.165 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2OCc2ccccc2Cl)c([N+](=O)[O-])c1 408886248 IZRRQKNOIBAMIT-LDADJPATSA-N 493.903 5.390 50 40 JKGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1cccc(I)c1 408896114 MXEOGMDAAGPVAJ-JLHYYAGUSA-N 485.237 5.005 50 40 JKGB O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)c1cc2cc([N+](=O)[O-])ccc2o1 408967130 SLIBGLIZCUKMQU-NUGSKGIGSA-N 489.227 5.580 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2C)cc1Cl 408981511 BLQPRHJXEVICDK-WQRHYEAKSA-N 482.367 6.042 50 40 JKGB Cc1ccc(NCC(=O)N/N=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1C 409001313 PBEPRQSJSQTXNA-NUJZUDFISA-N 459.619 5.085 50 40 JKGB O=C(N/N=C\c1cc(Cl)cc(Cl)c1Cl)c1cc(-c2ccccc2)nc2ccccc12 409034901 OKMOURXWBXCSIU-WKIKZPBSSA-N 454.744 6.626 50 40 JKGB Cc1ccc(NC(=O)Cn2cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c3ccccc32)cc1 409214388 STVAMIDREMVFTC-CCVNUDIWSA-N 491.016 5.484 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1F 409228847 FYMVZRHGXXNPIK-WCEBZYJUSA-N 464.924 5.851 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccccc2Cl)c(C)c1 409272513 QTUPMEJAAPLIQT-XSFVSMFZSA-N 459.933 5.520 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1OC 409337555 YYRATQULJUVKEU-NTFVMDSBSA-N 466.965 5.789 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(Br)cc3)o2)cc1Br 409356848 GYPQBDOVNKOOKB-BHGWPJFGSA-N 491.183 5.342 50 40 JKGB CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)cc3C(=O)c3ccccc3)n2)cc1 1787937 MICJTOCKBJVBIM-CAPFRKAQSA-N 485.996 7.070 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)cc3C(F)(F)F)n2)cc1OC 2201110 PPNIHFYVPRDSOL-JLHYYAGUSA-N 465.884 6.476 50 40 JKGB Cc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1C 2287126 FUMCADMZJQBPSN-WJDWOHSUSA-N 478.371 6.272 50 40 JKGB N#C/C(=C\Nc1cccc(C(F)(F)F)c1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2289244 VZAMNRCBRBCRNW-DTQAZKPQSA-N 489.478 7.065 50 40 JKGB CC/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1ccc(O)cc1 9076186 NSUBOKBROXGJEO-SLEBQGDGSA-N 477.634 5.487 50 40 JKGB CCOc1ccc(OCc2ccc(C(=O)N/N=C(\C)c3cccc(C(F)(F)F)c3)cc2)cc1 12616699 GNEDGUFOIHISGD-STBIYBPSSA-N 456.464 5.837 50 40 JKGB COc1ccccc1C(=O)NC1=C(C#N)[C@H](c2ccccc2OC)c2ccc3ccccc3c2O1 13896464 OBENVHBNMYHGSB-AREMUKBSSA-N 462.505 5.546 50 40 JKGB CCOC(=O)Nc1sc(/C(C#N)=C/c2ccc(OC)c(OC)c2)nc1-c1ccc(Cl)cc1 26841864 GBXWTIGQDURRIU-LFIBNONCSA-N 469.950 6.113 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl 28216501 VTMPHSKOVJLDSU-ZXGJNYTGSA-N 480.848 6.685 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 32519882 XEHQFPDVKRXMNL-LQKURTRISA-N 467.550 5.802 50 40 JKGB O=C(N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccc(Br)cc1 33380027 BJRGMSSFGXCSEU-MUFRIFMGSA-N 482.381 6.369 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(Br)ccc3OCc3ccccc3F)[nH]c2c1 33602369 OMDXQFYYAPKNPL-WQRHYEAKSA-N 462.322 6.416 50 40 JKGB COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1 33620276 CUBQRZZIAFQMNQ-BOPFTXTBSA-N 496.350 5.565 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(Br)c(Cl)c4)c3C)[nH]c2c1 33623856 IUTRONKQXVCKRN-YVLHZVERSA-N 465.782 6.759 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1O 33733967 CWEFOVWHFXFJKC-SXGWCWSVSA-N 484.295 5.732 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2s1 33770793 WSPURSJQPFDWFM-UVHMKAGCSA-N 472.501 5.716 50 40 JKGB O=C(CNc1c(Br)cc(Cl)cc1Br)N/N=C\c1ccc(Cl)cc1 36020561 YRGCYZFXSGILJP-YXSASFKJSA-N 479.987 5.081 50 40 JKGB COc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)ccc1OCCOc1ccccc1 41108891 LUOFQYQVZXXYHQ-XDJHFCHBSA-N 471.538 5.958 50 40 JKGB COC(=O)c1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccc(OC)cc4)cc3[C@@H]3C=CC[C@@H]32)cc1 58917486 WRZGWHASULRWOL-HWUUXDKCSA-N 495.579 5.462 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 59250496 RZKGSFUNNMLWEF-PTNGSMBKSA-N 487.806 6.955 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)NCc1ccccc1 59306259 RUJPVZZVPSKRPF-NDENLUEZSA-N 465.322 5.391 50 40 JKGB COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)ccc1OCc1ccccc1 59473054 WZYUTUVPFSXADP-AEIQVQRHSA-N 454.979 5.559 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)NC[C@H]1CCCO1 408734384 FZTOTEKYAZLNSG-MUIAGPEESA-N 491.385 5.383 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c1 408759399 DJHMMWQKQIWQCX-SFQUDFHCSA-N 451.309 6.067 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Br)c2)c1C 408796373 NXDOHZAFWHHXLR-FYJGNVAPSA-N 461.359 6.191 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1ccc(C)c(C)c1 408804359 XWXZYIZCDFVHOC-BUVRLJJBSA-N 484.552 5.613 50 40 JKGB O=C(NNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccc(NC(=O)c2ccco2)cc1 408841682 GQHPFKBYNQFCBK-UHFFFAOYSA-N 474.325 5.128 50 40 JKGB O=C(N/N=C\c1ccc(-c2cccc(Br)c2)o1)c1cc2cc(Br)ccc2o1 408849508 WKCCDLIZVLIZKC-KSEXSDGBSA-N 488.135 5.982 50 40 JKGB CCOC(=O)COc1ccccc1/C=N\NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 408852757 WEBZPJMTZKCEQO-FSGOGVSDSA-N 481.552 5.159 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1Br 408889851 JXRRFFSRMXPWRD-ONNFQVAWSA-N 471.094 5.218 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 408890973 JIGSFNJNENFHTF-XSFVSMFZSA-N 480.973 5.524 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Cl)c1OCc1ccccc1 408894283 HIGFHKTXXZMRFH-STBIYBPSSA-N 458.945 6.235 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 408899223 ZYFACIQRKHLWTL-UDWIEESQSA-N 473.485 5.045 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)NCCCc2ccccc2)c1 409253512 VJJXTYXILXXEQQ-JLPGSUDCSA-N 489.413 5.993 50 40 JKGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 409357745 JRGCJLFAMRHBDA-KBKYJPHKSA-N 466.257 5.290 50 40 JKGB COc1ccc(OC)c([C@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)c1 668641 KPHYOYVZYUYIFE-QFIPXVFZSA-N 469.463 5.027 50 40 JKGB N#CC1=C2N=C(N)c3c(sc4c3CCCCC4)N2C2=C(C(=O)CCC2)[C@@H]1c1ccc(F)cc1 708338 UANIKLCMRUTTNY-OAQYLSRUSA-N 458.562 5.221 50 40 JKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3SC(F)(F)F)n2)cc1 1818630 HMICAIJVUAXVSC-QGOAFFKASA-N 459.562 7.597 50 40 JKGB CC(C)Oc1ccc([C@@H](CCN(Cc2ccccc2F)C(=O)CCl)c2ccccc2)cc1 2280488 HMKDQTKJVWPPAM-VWLOTQADSA-N 453.985 6.403 50 40 JKGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 2553522 XVMFIYFUQBAEDY-NTUHNPAUSA-N 483.207 6.893 50 40 JKGB Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)c1COc1ccc(F)cc1 2801897 JUJSASWECMKFLD-RUZDIDTESA-N 460.549 5.781 50 40 JKGB CCCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 6162284 GGWPOBUTARZMTD-NCELDCMTSA-N 496.563 6.107 50 40 JKGB Cc1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccccc1[N+](=O)[O-])N2 6281423 YQDGDAILSZLFGK-QAMDWANKSA-N 495.988 6.850 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1ccc(O)cc1 9019533 AMYZGPQVXZTKJZ-WGOQTCKBSA-N 484.025 5.442 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc2ccccc2c1 12466461 MHDUHNPCXFJIRH-KOEQRZSOSA-N 478.668 5.925 50 40 JKGB C/C(=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1cccc2ccccc12 12565956 VBRHGCKIYFLGOB-GZZLJNBRSA-N 470.572 7.240 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)n1-c1ccc(F)cc1 28216971 PRWXKIDBMJDILQ-OCSSWDANSA-N 471.601 6.431 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 33581282 ZHDAJOZTQDHMBI-LICLKQGHSA-N 498.322 5.992 50 40 JKGB CCCCCCCC[C@@H](O)[C@H](/C=C/c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 98175068 GVWFYCIDXRIILO-ZTWVWVELSA-N 460.598 7.194 50 40 JKGB CC(C)=C[C@H](O)C/C(C)=C\CC/C(C)=C/CC[C@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@@]1(C)O 104232845 CMKAMRUVQONAPO-LCDRBOGPSA-N 474.726 6.612 50 40 JKGB O=C(CNc1ccc2ccccc2c1)NN=Cc1ccccc1OCc1ccc(Br)cc1 254486166 OTWOZXCUNQGVBM-UHFFFAOYSA-N 488.385 5.744 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl 408540059 MJIONGWLEQKSTF-MYYYXRDXSA-N 466.365 6.405 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1ccc(C(=O)O)cc1 408544777 XHHMSRACYPGZSV-UCQKPKSFSA-N 484.349 6.944 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)ccc1OCc1cccc2ccccc12 408723467 VKGBMJKXAQFSBP-YOOHQEFTSA-N 456.586 6.094 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1)C(=O)NC[C@@H]1CCCO1 408734381 FZTOTEKYAZLNSG-JFLYLQGUSA-N 491.385 5.383 50 40 JKGB CC(=O)Oc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)o1 408742915 QOCWZXDYDXWNOD-XNTDXEJSSA-N 451.818 5.415 50 40 JKGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)o2)c(C)c1 408765855 QZAPQTICCOQSCD-WJDWOHSUSA-N 465.303 5.350 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1C 408791659 AJRMSCRQEKHONW-YZSQISJMSA-N 455.561 7.005 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 408813201 QCJYDOOXSMYJLI-RHLNUJDMSA-N 481.379 6.365 50 40 JKGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 408840550 ZFYPQLORFPHHKF-DHRITJCHSA-N 477.933 5.879 50 40 JKGB Cc1c(Br)c(/C=N\NC(=O)COc2ccccc2Cl)c(C)n1-c1ccccc1 408846472 JYXGCPDWESEBBC-MSXFZWOLSA-N 460.759 5.039 50 40 JKGB Cc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1C 408853527 UYNIJEZGZOATFC-ZRGSRPPYSA-N 484.781 6.329 50 40 JKGB O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408860293 XVRDNBQRQVXQAY-YSURURNPSA-N 453.778 6.290 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccccc1Cl 408884496 ZONRJFWLCCHEFL-DEDYPNTBSA-N 491.931 6.080 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c(C)n1-c1ccc(Br)c2ccccc12 409199684 QBBUKBMOZVFRKQ-DRQPSCMVSA-N 485.385 5.767 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c(C)n1-c1ccc(Br)c2ccccc12 409199689 QBBUKBMOZVFRKQ-MSHUQIKOSA-N 485.385 5.767 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409219294 PEVAPKFTEJOULX-XSFVSMFZSA-N 489.959 5.610 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1 409249600 JYPJRRHAHMZIHU-PXLXIMEGSA-N 499.567 5.274 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2)cc1OCC 409322253 IQLXKHOVNOIJMA-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(Br)c(Cl)c1 409370126 LPCORDAKYQURSN-YBEGLDIGSA-N 470.754 5.761 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCc1cccc2ccccc12 409385294 HKRRSTKYMUSYPW-BUVRLJJBSA-N 451.526 5.878 50 40 JKGB CCOc1c(Br)cc(/C=N/NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1OC 1782624 GJMOBPHFLGAWKF-DCMOEJRUSA-N 497.389 5.441 50 40 JKGB Cc1ccc(-c2ccc(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)o2)c(Br)c1 8842923 WGTMYAOKEJXTAY-ZRGSRPPYSA-N 465.269 5.729 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCc2ccccc2Cl)N1 8892705 OIVDHCMKTYFQHX-QHCPKHFHSA-N 461.974 6.201 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 9203349 UTNLMGDQDIZUBK-AFUMVMLFSA-N 457.755 5.374 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@H]3c3ccccc3)o2)sc2c1CCCC2 12273882 JRDZYPFABDSMFB-YLFSKNCBSA-N 486.593 6.213 50 40 JKGB C/C(=N\NC(=O)c1ccc(COc2cc(C)ccc2C(C)C)cc1)c1ccc(C(C)(C)C)cc1 12659929 CSFKHWHNJYFZNR-DFKUXCBWSA-N 456.630 7.149 50 40 JKGB CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 13921493 NOEZVDAFNBENDD-MZJWZYIUSA-N 470.356 5.224 50 40 JKGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCC 15222570 DVDCLITUMKALOU-BOPFTXTBSA-N 488.325 5.109 50 40 JKGB CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 20240599 QHUGUIKSSVVETC-MWAVMZGNSA-N 455.602 5.304 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl 28216734 QNZPLUNVZZYASU-FCLYZYNOSA-N 460.430 6.173 50 40 JKGB C[C@H](COc1ccccc1)Cn1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)c2ccccc21 41120733 QMEOXNBTCDSPFJ-GDUPUGJQSA-N 492.604 7.161 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(CSc2ccccc2)cc1 59473447 ULWVXRALUCRRPN-WGOQTCKBSA-N 457.511 5.911 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1)c1nn(-c2ccccc2)c(N)c1C#N 59639092 MPAMORNNIPBPRC-XNTDXEJSSA-N 479.849 6.323 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C(=O)O)o1 108259087 ALVYLMHOPVEAEO-ZSOIEALJSA-N 487.295 5.418 50 40 JKGB CC[C@@H](/C=C\[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 123332859 FOQAJGFTDYXPDS-CRZSDQBOSA-N 475.157 9.184 50 40 JKGB COc1cc(/C=C/C(=O)Cl)cc(Br)c1OCc1ccc(Br)cc1 226337216 WGMBJALGVDABGZ-QPJJXVBHSA-N 460.549 5.578 50 40 JKGB O=C(Cl)/C=C/c1cc(Cl)c(OCc2cccc(Br)c2)c(Br)c1 226341161 OGVIMPPPQCIFCW-SNAWJCMRSA-N 464.968 6.223 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc(Br)c1OCc1ccccc1 408724526 FGJUWTLQLBZRCO-XCYJHMCZSA-N 485.422 5.703 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 408742902 COQSRTDDHIQIRF-UNOMPAQXSA-N 492.329 5.790 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)o1 408753795 NWMNXWSNULBOPQ-SDNWHVSQSA-N 452.264 5.471 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCc1ccccc1 408757852 DHTLBAYMKRWAEO-LDADJPATSA-N 453.325 6.127 50 40 JKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(Br)c2)c1 408780238 WASNIRBKVWPRBQ-BKUYFWCQSA-N 491.385 6.361 50 40 JKGB COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl 408792959 CJJBTQUKGNNTNU-WOJGMQOQSA-N 453.325 6.127 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(C)c(C)c1 408805944 CUQFZGVFQPSNOD-YDZHTSKRSA-N 474.988 6.789 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1ccccc1F 408817701 NTUYTLAYIINVJF-SXGWCWSVSA-N 486.286 6.165 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1 408818497 VRKGWLQNSDRRME-LPYMAVHISA-N 490.987 6.489 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1OC 408822814 MHOIKVYNYJUXLB-CPNJWEJPSA-N 493.357 5.591 50 40 JKGB CCCCOc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 408831526 VXFWFYOXPRTEOV-APWQXFQUSA-N 487.625 5.404 50 40 JKGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC 408835026 XTHKPPVSEVPTQV-XDHOZWIPSA-N 497.378 6.525 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccccc2-n2cccc2)c1OCc1cccc2ccccc12 408886094 DFKJQKIPBAKAFY-AJBULDERSA-N 475.548 5.982 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408891585 AFLUGPOVHJSOJX-GZTJUZNOSA-N 478.848 5.281 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1ccc(C(=O)O)cc1 408898931 YLBKIEVIXWDQLA-LICLKQGHSA-N 481.291 5.456 50 40 JKGB N#C/C(=C\c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 408990242 KAILDROACHRDEV-FOWTUZBSSA-N 458.524 5.901 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc([N+](=O)[O-])cc1 409211037 LWIUDKKGWIQHIR-LCYFTJDESA-N 461.724 6.819 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 409246325 BBYBGRBTHQCTLJ-AIRTYWKNSA-N 478.951 6.241 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)c1 409267056 RWIUWGWLMKSRAR-FYJGNVAPSA-N 473.960 5.828 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cccc(OCc3ccc(C)cc3)c2)ccc1OCc1ccccc1 409334460 LSQZTDWAHYGEBZ-RGXNXFOYSA-N 494.591 6.316 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(C(=O)OC)o3)c3ccccc23)cc1 409391169 HTHXUNFJBUKXNY-JXAWBTAJSA-N 469.497 5.014 50 40 JKGB CC[C@@H](C)Oc1c(I)cc(/C=C(/C#N)c2cccc(F)c2)cc1OC 409393065 OUGBZVIFTDRQCO-KHAFMBKQSA-N 451.279 5.680 50 40 JKGB Cc1cccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3cccc4ccccc34)N(c3ccccc3)C2=O)c1 2344283 FZLRXLQPRYFMOR-SFJGOQPCSA-N 489.600 6.213 50 40 JKGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(CSc2nc3ccccc3s2)cc1 2630392 ZYZQIRJLAFSUOP-WPWMEQJKSA-N 488.638 5.189 50 40 JKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1Cl 2695924 TZAPBJQTHUMFEN-HYARGMPZSA-N 475.957 5.540 50 40 JKGB O=C(N/N=C/c1ccc(OC(F)F)cc1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 6017363 BZIXDJZOAOSSJY-LGJNPRDNSA-N 452.486 5.221 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 10476050 PIERIKOSMJHFCS-UXHLAJHPSA-N 472.972 6.164 50 40 JKGB N#C/C(=C\Nc1ccc(Br)cc1F)c1nc(-c2ccc(Br)cc2)cs1 11853116 NCCXGZHDSJNRRT-FMIVXFBMSA-N 479.172 6.451 50 40 JKGB COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)cc1 13174293 OQRLHBDWMAUQRH-QHCPKHFHSA-N 479.989 5.150 50 40 JKGB Cc1cc(OCCOc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2Cl)ccc1Cl 13881179 YXNMWYQRPIPDDQ-LDADJPATSA-N 471.340 5.576 50 40 JKGB N#CC1=C(N)O[C@@H]2[C@@H](C(C(F)(F)F)=NN2c2ccccc2)[C@H]1c1cc(Cl)ccc1Cl 16488834 GRJUKLJTUXBPKT-FRQCXROJSA-N 453.251 5.182 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1Br 23382745 ZPJWOWAJNFQABW-NGWPFTMJSA-N 490.195 5.561 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)c(C)c1 28467571 WHKISJCDRBBMJS-IMRQLAEWSA-N 497.620 6.283 50 40 JKGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C\c1cccc(OCc2ccccc2)c1 28616243 IHUZSOIBJISDOO-WGARJPEWSA-N 467.363 5.174 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)ccc1OCc1ccccc1 33335455 MQSYIBADYSXGKP-MUXKCCDJSA-N 492.963 5.146 50 40 JKGB O=C(N/N=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)cc1)c1ccncc1 33922045 UDNWNLXEZVELTF-VGBOAXCZSA-N 479.971 5.855 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 58884659 YAEXTNOFCTYDRY-XODNFHPESA-N 475.854 5.027 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1 59302531 YBAIDGSZIWVCRK-WQRHYEAKSA-N 463.921 5.390 50 40 JKGB C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)C(c1ccccc1)c1ccccc1 101157539 OJLSDRNXIDUDMV-GZZLJNBRSA-N 491.591 5.918 50 40 JKGB CCOc1c(I)cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC 108066011 YVIVDWQTTIVEGX-OVCLIPMQSA-N 473.314 5.256 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Br)cc1 113834665 RLMWTNZVVYKDPH-LDADJPATSA-N 460.331 5.977 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)ccc1OCc1ccccc1Cl 216044036 OCJKKBKOJWRRNX-NTFVMDSBSA-N 450.966 5.627 50 40 JKGB COc1cccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408543791 QLTQPDNZYJOAKR-GZTJUZNOSA-N 485.456 5.861 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=C(/C#N)c3ccc(C(F)(F)F)cc3)c3ccccc32)c1 408543923 QTMWRXQLAWSICR-STZFKDTASA-N 460.455 6.559 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1 408567290 CVFQEMXOHPRQHZ-JFLMPSFJSA-N 499.057 5.927 50 40 JKGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl 408607179 CHRAWFGHLCEWEN-KVSWJAHQSA-N 488.346 5.417 50 40 JKGB CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3cccc(C)c3)c2-c2ccccc2)cc1 408742930 QPSHFZGTPIZVOK-PPFNPFNJSA-N 499.614 7.282 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C)cc3)c(OCC)c2)c1 408746814 VYZZDTWZSLCCSX-HAHDFKILSA-N 456.542 5.917 50 40 JKGB CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Br)c1 408783042 MOXPMXPRSJUSKA-JMIUGGIZSA-N 483.793 6.266 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408783883 RYFIQXSTQVTTFQ-UUASQNMZSA-N 453.753 5.666 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)Nc1cccc(Cl)c1 408791948 FPGINGAFYQNREP-VXLYETTFSA-N 492.760 6.099 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)c1 408798594 VXJGLFAQIRKWLJ-YZSQISJMSA-N 455.561 7.005 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 408800514 NHZULJOBGKNYRH-DEDYPNTBSA-N 484.943 6.414 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(Cl)cc1Cl 408808392 GDGLNUMNJPYUID-MOSHPQCFSA-N 481.354 6.986 50 40 JKGB C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 408826948 LUFBAKFOXIAQDS-RCCKNPSSSA-N 474.944 6.038 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(C)c1OCc1ccc(Br)cc1 408849217 YJWGSBXNCQEPCT-LGJNPRDNSA-N 471.782 6.062 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Cc2ccccc2Cl)c1 408881146 IEEUYYGVXZUGFH-YBFXNURJSA-N 470.878 6.504 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OCc2cc(C)cc(C)c2)c1 408885508 BDZKWACWUZRQDC-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 408905465 AMOBKQLPZAKONZ-MOYYISEASA-N 474.344 5.061 50 40 JKGB CCOc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1 408953425 WIHYIRAZMVIVJC-MXAYSNPKSA-N 454.914 5.000 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 408978030 GSNBMAVQNOBTSX-MOYYISEASA-N 474.344 5.581 50 40 JKGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(OCc2cccc(F)c2)cc1 408980732 STMISRNUTHVCCP-KWAQJPELSA-N 495.554 5.416 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 409049516 WAIFIPKEVKUKFB-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OCC)c1OCc1cccc(F)c1 409067513 RBENWDXHMCNJRC-MFKUBSTISA-N 484.571 6.694 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 409118177 SSFBQEVXLJZYMJ-UPHQNKNSSA-N 483.033 6.257 50 40 JKGB Cc1ccccc1CN(c1ccc(C(=O)NN=C2CCC(C(C)(C)C)CC2)cc1)S(C)(=O)=O 409121057 VRLXWBLFXKBQQG-UHFFFAOYSA-N 469.651 5.283 50 40 JKGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 409131683 KCTDPWNMZFBJHY-NRFANRHFSA-N 475.759 6.041 50 40 JKGB C/C(=N\NC(=O)CCSc1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 409142638 LECVOOZEEIJFPF-MTDXEUNCSA-N 466.006 5.923 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(OCc2ccccc2)cc1 409222564 BWFWYADXTPDHSV-ANYBSYGZSA-N 489.619 6.329 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Cl)cc1 409226522 UMMGKAVNWXMFRX-FYJGNVAPSA-N 473.960 5.828 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 409267320 SUVLMIMDPJDPFH-XSFVSMFZSA-N 489.959 5.610 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)ccc1OC 409310753 CYGQLONOVRLDFQ-MUXKCCDJSA-N 486.927 5.238 50 40 JKGB Cc1c(/C=N/NC(=O)Cc2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1Cl 409373807 ZAGIQUCXOKHYRS-RWPZCVJISA-N 450.369 5.998 50 40 JKGB Fc1cc(Cl)ccc1CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1 575436664 OSPZNPQZGCQPFU-UHFFFAOYSA-N 485.764 6.819 50 40 JKGB C[C@@H](Sc1nnc(CNc2cccc3ccccc23)n1-c1ccccc1)C(=O)N/N=C/c1ccco1 2097293 ZEVNRVUMYSQIFD-HRJIBFCWSA-N 496.596 5.257 50 40 JKGB Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(Cl)cc1C 2111157 WDGUCTLTBVQBLF-VWLOTQADSA-N 477.004 6.295 50 40 JKGB Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)s2)cc1 2342600 VOJASFWFKFRZBL-CPNJWEJPSA-N 470.510 5.756 50 40 JKGB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1O 2347646 MORJNLVJTNUDPM-MHWRWJLKSA-N 497.370 5.606 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4c(s3)CC[C@@H](C)C4)c2C)cc1 3387191 RTEMNJSTVPUUKQ-WJGWSCHNSA-N 463.603 5.221 50 40 JKGB CCOP(=S)(OCC)Oc1nc(-c2ccccn2)nc(C)c1Cc1ccc(Cl)c(Cl)c1 4289046 JQKHXGCOBSHDBH-UHFFFAOYSA-N 498.372 6.421 50 40 JKGB CC(C)c1ccccc1N/C=C(\C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 8744475 IZTPGYGCGHKTTD-XDJHFCHBSA-N 463.562 7.170 50 40 JKGB COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c([N+](=O)[O-])c1 9057825 XSFYADNRHCLVQP-JLHYYAGUSA-N 457.309 5.466 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)cc(Br)c1O 9075608 NNSUVOUQIGRBAO-ACAGNQJTSA-N 492.192 6.113 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4ccc(F)cc4F)cc3)[nH]c2cc1C 9235491 QCXCAZOXSFOJJF-WOJGMQOQSA-N 458.468 5.540 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)c(F)c1 9323134 GUSWUKUWTFIEDC-XAZZYMPDSA-N 492.337 6.500 50 40 JKGB Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@H](c2cccs2)C2=C(CCCC2=O)N1 13174270 RAUMKUGEQQMCQZ-OAQYLSRUSA-N 470.019 5.511 50 40 JKGB O=C(CC(=O)Nc1ccccc1)N/N=C/c1cc(/N=N/c2ccc(Br)cc2)ccc1O 18165957 HTRFOVNXRDBPGG-LTLXJJSKSA-N 480.322 5.049 50 40 JKGB C/C(=N/NC(=O)c1sc2cc(C)ccc2c1Cl)c1cccc(NC(=O)C(F)(F)F)c1 22535807 IFYHEAGXMNZEHV-RAWMCFOBSA-N 453.873 5.518 50 40 JKGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OCc1ccccc1 40912316 IDAHFTNQFUSASV-DHRITJCHSA-N 473.754 5.211 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)ccc1OCc1ccccc1 58871480 ROYGSYZIEQNNLC-OGLMXYFKSA-N 485.565 5.352 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC 59291999 SEBZGKHGJSCVIE-OVCLIPMQSA-N 463.759 5.754 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 59296913 FBBSXLUZRSQSFU-UDWIEESQSA-N 481.379 6.689 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 59305221 SVLOTENLJKFCQO-NDZAJKAJSA-N 490.519 6.385 50 40 JKGB CC(C)=CCC/C(C)=C\C=N\NC(=O)[C@H](C)S[C@@H](C)C(=O)N/N=C\C=C(/C)CCC=C(C)C 104385043 NBVXLNMQFFNYMV-HMOLOSTJSA-N 474.715 6.086 50 40 JKGB CC1(C)[C@@H]2CC[C@]1(C)/C(=N\NC(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N3)C2 226613826 FBMLHCJNVNTSAR-XPQLTXEBSA-N 477.506 5.615 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCC 408538413 MOBXIAKPUXBJCH-LTGZKZEYSA-N 454.998 7.024 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1Cl 408725514 JNFQFPPTXIESTP-UNOMPAQXSA-N 477.904 5.772 50 40 JKGB CCC(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccc(C(=O)OC)cc2)c1-c1ccccc1 408729303 AVMLUFJWBPQOQA-CEUNXORHSA-N 451.526 5.458 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)NCc2ccccc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408795149 URHBQHRGZMIKTQ-XDHOZWIPSA-N 480.351 5.234 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(I)cc1 408812292 SDGJYQREGQUVHJ-JPOGYNCRSA-N 495.364 5.483 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)cc1 408835651 YXKUMLNQRAYCFA-IMRQLAEWSA-N 491.591 5.905 50 40 JKGB COc1ccc(NC(=O)N/N=C\c2cc(Br)c(Sc3ccc(C)cc3)o2)cc1 408912219 QAPOWBOBWRAROF-UUYOSTAYSA-N 460.353 5.666 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1cccc(C(F)(F)F)c1 408962395 IBDHHRVXQAVTDY-KVSWJAHQSA-N 467.274 6.355 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1 409044333 BXZFKQLFKQIFBW-LZYBPNLTSA-N 492.189 7.425 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1)C(=O)NCc1ccccc1 409048024 QHLHXVNRHXINHI-VXLYETTFSA-N 471.771 6.449 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)c1 409048621 TUHVAFOTQGPVFM-VCHYOVAHSA-N 455.316 6.566 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)c1C 409055656 JRMFAAHYCYMQDH-VXLYETTFSA-N 469.343 6.874 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 409093457 ZLYHXACXYKBDOX-NTEUORMPSA-N 499.266 6.148 50 40 JKGB C/C(=N\NC(=O)CSCc1c(Cl)cccc1Cl)c1cccc(NC(=O)c2ccccc2)c1 409115316 IQTDPEFKXJKAMZ-LQKURTRISA-N 486.424 6.019 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)NC1CCCC1 409189560 QKLDPMQDXNZIPM-SXGWCWSVSA-N 460.317 5.446 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1OCC 409337325 XUGFZYYUQMSDHA-MBTHVWNTSA-N 487.383 6.134 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409394378 ZQOASVUOQZTJER-NVMNQCDNSA-N 483.293 6.148 50 40 JKGB C[C@@H](Br)[C@H](OC(=O)c1cccc2ccccc12)c1cc2c(cc1Br)OCO2 1614632 GEJXKMLDJJULNO-ODXCJYRJSA-N 492.163 6.013 50 40 JKGB CCCc1c(Cc2c(F)cccc2Cl)c(=O)oc2cc(OP(=S)(OC)OC)ccc12 2157432 BONQDFADOWDBAS-UHFFFAOYSA-N 470.886 6.025 50 40 JKGB N#CC1=C(N)N2C(=O)/C(=C\c3ccccc3)S[C@H]2C(c2nc3ccccc3[nH]2)=C1c1ccccc1 5724138 VIXWRDZIFIRLCK-RQLJPHHTSA-N 473.561 5.124 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2cc(C)nc3c(C)cccc23)ccc1OCc1ccc(C)cc1 6245061 OLUCJEQBDHHAOO-OKCVXOCRSA-N 499.636 5.990 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1c(C)n(Cc2ccccc2C)c2ccccc12 8812965 YGKHYFVGIISZIE-RWPZCVJISA-N 490.401 5.841 50 40 JKGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 8843192 XYUQRZQHYTUXHN-RUMWWMSVSA-N 477.608 5.764 50 40 JKGB CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccccc2)N1 9075430 BLCLEKSSJZLBSI-DEOSSOPVSA-N 473.529 5.369 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 12363138 KNFZMDXYNPYXPU-DICXZTSXSA-N 475.888 5.704 50 40 JKGB N#C/C(=C/c1cccc(I)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1 13774781 MTWIJINVSLJOBZ-SDQBBNPISA-N 483.161 6.786 50 40 JKGB Cc1cccc(C)c1OCCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)NCc1ccccc1 13940388 YGMCKQDWHMVGTE-LPYMAVHISA-N 495.406 6.291 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1 27018569 XDRIZRUYRGVUQA-FCDQGJHFSA-N 490.563 6.048 50 40 JKGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CSCc2cccc(Br)c2)c1C 28216113 SEJPVWKEPYDQBH-LGJNPRDNSA-N 484.463 5.857 50 40 JKGB Cc1ccc(N/C=C(/C#N)c2nc(-c3ccccc3)c(NC(=O)c3ccc(C)cc3)s2)cc1 28405844 KQGPMYTWPRABEP-XLNRJJMWSA-N 450.567 6.656 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 32512692 XDFCFOZSUVZDKE-JOCHJYFZSA-N 454.917 5.527 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1 40007590 QAGRLDIFIWQRDR-CKMDTHJYSA-N 460.961 6.102 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1[N+](=O)[O-] 59336071 PQZPNSRFZXRSNQ-YVLHZVERSA-N 469.328 6.163 50 40 JKGB CC(C)(C)C1CCC(=NNC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1 59435869 FZCAUCVPRJDYBF-UHFFFAOYSA-N 490.069 5.239 50 40 JKGB CC(C)(C)[C]1[CH][C](P(c2ccccc2)c2ccccc2)[C](P(c2ccccc2)c2ccccc2)[CH]1 100643438 DOYQQYOJKGGRNJ-UHFFFAOYSA-N 489.559 7.359 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 105058062 KJSCCIJUOILUSV-KBKYJPHKSA-N 468.167 6.643 50 40 JKGB FC(F)(F)c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1CBr 141759243 FYOPXKCHBGPNQW-UHFFFAOYSA-N 471.320 6.637 50 40 JKGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc21 208244745 GUCMBMOVEMUMMS-QVYJARAXSA-N 462.808 6.914 50 40 JKGB CCCCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1 408540716 VJPKAKCMTGRQNP-ATVHPVEESA-N 461.787 6.607 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408579864 KSYSYLTXYHROCM-RGVLZGJSSA-N 468.336 6.733 50 40 JKGB COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl 408598908 KWOQLHMAFOJVTA-VCHYOVAHSA-N 482.392 7.114 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccccc1F 408753027 KUEBTWHUJDVKHK-UNOMPAQXSA-N 495.348 6.112 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408789313 IWMOJAWXWHUUON-XIEYBQDHSA-N 478.523 6.529 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1 408792028 GSWIRKHWBXNDDS-LDADJPATSA-N 467.750 6.227 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1 408811451 RANHODOPJSHRCZ-HAVVHWLPSA-N 462.505 5.751 50 40 JKGB C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 408834299 VQARDSFVUTYMMB-RCCKNPSSSA-N 474.944 6.038 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Cc3ccccc3F)c(OC)c2)cc1 408881422 MEXUNGMBETZHSQ-WOJGMQOQSA-N 495.348 5.742 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1c(Cl)cccc1Cl 408887978 VVAFAZCETJFEOS-XDJHFCHBSA-N 487.342 6.911 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cccc(OC(=O)c2cccc3ccccc23)c1 408897633 ZDNVREUDNVMNFI-RCCKNPSSSA-N 466.924 6.567 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 408925893 URXNAPRAKUJMEO-LDADJPATSA-N 461.861 5.322 50 40 JKGB COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2C)c1 408984619 SFGLKRUWBHVJFU-ODLFYWEKSA-N 482.367 6.042 50 40 JKGB N#C/C(=C\c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 408992665 STVFBJPWIJYHHK-RVDMUPIBSA-N 455.524 6.296 50 40 JKGB Cc1[nH]nc2c1[C@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c1)C(C#N)=C(N)O2 409138943 KGDCGSAVTQGTCS-LJQANCHMSA-N 461.736 5.476 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 409146579 UAHRQNWBNFHEJY-OAQYLSRUSA-N 457.288 5.635 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4cccc(F)c4)c(OCC)c3)cc2c1 409187266 ODZIHILUKCCMGK-MWLSYYOVSA-N 476.504 5.712 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)n1 409233992 VHFOFBXFSWXBHT-OPEKNORGSA-N 475.401 5.222 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 409235066 YMCAJAOCUQRDNK-SOSVVEOHSA-N 493.582 6.597 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)c(C)c1 409271168 KFJKTQIAUFZVJG-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB O=C(CNc1ccc(F)cc1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 409353633 OSEDEDSUEBZWGA-XKJRVUDJSA-N 469.347 5.698 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccccc1Cl)c1ccc(I)cc1 409369807 YQKFUQADZOYHIY-UYRXBGFRSA-N 471.725 6.588 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)ccc1OCc1ccc(Cl)c(Cl)c1 664653 JBBMRLGMJMKRPN-HXUWFJFHSA-N 499.398 5.820 50 40 JKGB COc1cc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)ccc1OCc1ccccc1 987605 IVSQJYJUEWXHNX-QHCPKHFHSA-N 484.943 5.536 50 40 JKGB O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)[C@H]1CC1(c1ccccc1)c1ccccc1 1760251 SIRSNMAMAJZOKG-GKJYGXBBSA-N 471.560 5.060 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 9057445 AIOFWWVOSYYNMM-LDADJPATSA-N 478.302 5.482 50 40 JKGB CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 9234134 XEQGXRSUYTZYJN-VGOFMYFVSA-N 499.586 5.914 50 40 JKGB CC1(CC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)SCCS1 9489301 PRVFKGUTOYZMKE-LPYMAVHISA-N 465.438 5.065 50 40 JKGB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)c1ccccc1OCc1ccccc1 12137142 XBOAUEDNSUJORA-NRFANRHFSA-N 466.537 5.161 50 40 JKGB CCCCc1ccc(N2CSC3=C(C#N)[C@H](c4c(OC)ccc5ccccc45)CC(=O)N3C2)cc1 12251001 XZBJTHGNRYZPCW-XMMPIXPASA-N 483.637 6.410 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC2CCCCC2)cc1 27017766 AVPSXOPDCWHQHO-RELWKKBWSA-N 454.574 5.684 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(Cl)cc1 33446688 GRXZFERFRGPERB-XKZIYDEJSA-N 460.917 6.628 50 40 JKGB O=C(COc1cc(Cl)ccc1Cl)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1 33783963 ZGZXYQZAQAKNEO-OPVMPGTRSA-N 458.128 6.089 50 40 JKGB Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=C(/C#N)C(=O)Nc1ccccc1Cl 33788652 KNZJUXMJSCOCED-SDXDJHTJSA-N 472.907 6.311 50 40 JKGB C/C(=N/NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc(Cl)cc1Cl 35225209 MNVMZXLARNWXRH-MXAYSNPKSA-N 496.803 5.602 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1ccc(F)cc1 59116780 RPNBSNCKDJHYGQ-GZTJUZNOSA-N 469.285 5.852 50 40 JKGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1 96669546 MZBOCRJOSVCZJW-GFMRDNFCSA-N 499.578 5.021 50 40 JKGB CCCCCCCC[C@H](O)[C@H](/C=C/c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 98175067 GVWFYCIDXRIILO-OCKVMKEPSA-N 460.598 7.194 50 40 JKGB O=P1(Nc2ccc(Cl)cc2)N(Cc2ccc(Cl)cc2)CCCN1Cc1ccc(Cl)cc1 104390952 MZNTWSMWROXUKV-UHFFFAOYSA-N 494.790 7.575 50 40 JKGB CCOc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC 107859909 DVAWTSSKSKEWDQ-RHANQZHGSA-N 487.556 5.437 50 40 JKGB C=C1CC[C@@H](O[Si](C)(C)C(C)(C)C)C/C1=C/CP(=O)(c1ccccc1)c1ccccc1 197715160 OFSDSMTXHBTJEI-MPMADDBASA-N 452.651 7.057 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1 408570486 VTZUHSWBDJWFFC-WGOQTCKBSA-N 464.612 5.273 50 40 JKGB CCCOc1cc(Br)c(/C=C(\C#N)c2ccc(Br)cc2)cc1OCC 408579394 GTNKEQJYEWSKCY-MHWRWJLKSA-N 465.185 6.463 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)c(C)n1-c1ccccc1Br 408589888 NHTIGDCDQJOPNU-FOKLQQMPSA-N 491.183 5.089 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408676147 GEEZZUPYAITIQJ-MUFRIFMGSA-N 498.410 5.945 50 40 JKGB Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Br)c3)nn2-c2ccccc2C)cc1 408726773 UNDFUBBGFAHIJM-JVWAILMASA-N 473.374 5.683 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3cccc(C)c3)n2)c1O 408727849 YCEOBDLXOWYSCK-UXHLAJHPSA-N 476.536 5.479 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OC)c2)cc1 408746642 UTBUYBPFBHAMTB-UCQKPKSFSA-N 498.966 6.635 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(C)cc1 408761411 FCGNXLJMJAOQDP-NDENLUEZSA-N 477.358 5.891 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1cccc2ccccc12 408765900 RLDJUMQEXJEKQJ-ZCTHSVRISA-N 460.533 6.345 50 40 JKGB Cc1cc(-n2c(C)cc(/C=C(/C#N)c3cccc(Cl)c3)c2C)ccc1I 408771439 GKRHMHMGNIRJQW-ODLFYWEKSA-N 472.757 6.725 50 40 JKGB C/C(=N\NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(Cl)cc1 408784887 WECQDJSZNYMTPV-YYYGAUAXSA-N 463.990 5.268 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1 408790623 XJBQBUGDQSYVGT-QGOAFFKASA-N 467.750 6.227 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(F)c1 408791819 CZLOSJOOQZRNKX-SRZZPIQSSA-N 478.951 6.619 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408796236 XMCULPOUTACFOA-WOJGMQOQSA-N 471.771 7.080 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1Cl 408817271 VQSAQMSOIDECOF-JLHYYAGUSA-N 488.302 6.191 50 40 JKGB O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)NNC(=O)c2sc3ccccc3c2Cl)cc1 408846538 SVHXXJGKZOLDGD-XNTDXEJSSA-N 475.957 5.281 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(OC)c1 408866038 FYSXLTUFJJHJBU-RGVLZGJSSA-N 497.378 5.813 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3cc(C)cc(C)c3)c(OC)c2)cc1 408868991 OQRZJPKQTAYJMB-WSDLNYQXSA-N 488.971 5.889 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)c([N+](=O)[O-])c1 408883166 TYOXPSYNZAFLJP-LDADJPATSA-N 461.861 5.322 50 40 JKGB O=C(N/N=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)c1cccc(I)c1 408891496 RKLLLMLCURHWIJ-VULFUBBASA-N 495.320 5.115 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cccc(Br)c2)c(C)n1-c1cccc(C(F)(F)F)c1 408997873 ORDYWDXHQYOICI-ZRGSRPPYSA-N 464.285 5.639 50 40 JKGB Cc1cc(-c2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)cc([N+](=O)[O-])c1C 409032769 DDOPXQQVDBAZGY-OCSSWDANSA-N 490.519 6.451 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)Nc1ccc(F)cc1 409046947 LPFZDJCUYUKGGJ-UDWIEESQSA-N 491.349 7.410 50 40 JKGB COc1cccc(/C=N\NC(=O)c2ccc(Br)cc2)c1OCc1ccc(Cl)cc1 409080275 MQHYIGAIOTVVAB-MXAYSNPKSA-N 473.754 5.454 50 40 JKGB C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1)c1ccc(C(C)(C)C)cc1 409115547 MROOUJAIGDCNOM-XHLNEMQHSA-N 491.657 5.413 50 40 JKGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2Br)cc1 409192388 CAMOUTHXZBEDMC-DHRITJCHSA-N 457.755 5.754 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 409214480 VLGFRXFGBLTCHC-JLPGSUDCSA-N 483.955 7.299 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409224333 KPQQBXHHKUUPMS-DEDYPNTBSA-N 489.959 5.610 50 40 JKGB CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3Cl)=C2C#N)cc1 409321003 DQBCLZMGNKAGEG-OAHLLOKOSA-N 478.426 5.426 50 40 JKGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C2C#N)cc1 409325357 YCHDPFRIGSSDPH-OAHLLOKOSA-N 479.911 5.378 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)[nH]c2c1 409391884 LYTYVZXSNLRUNH-WQRHYEAKSA-N 456.458 5.131 50 40 JKGB COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(Br)cc3)C3=C2CC(C)(C)CC3=O)cc1 705490 LKMOHLRRHHZFOZ-JOCHJYFZSA-N 478.390 5.399 50 40 JKGB CC1(C)C/C(=N\NC(=O)c2ccncc2)c2c(nc(C(F)(F)F)c3[nH]c4ccccc4c23)C1 1197123 YPTDXAVNNFJFJF-KBVAKVRCSA-N 451.452 5.236 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCCc3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 1887802 SRLFGLWZMUBVLV-SJCFVWOQSA-N 481.621 5.089 50 40 JKGB Cc1ccc(/C=N/NC(=O)COc2c(C(C)C)cc(Br)c(C)c2Br)o1 3096790 MJXZVLTYTKKLOO-ODCIPOBUSA-N 472.177 5.074 50 40 JKGB Cc1ccccc1CSCC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 6443952 RYZMAFNTMVDZFA-RPPGKUMJSA-N 460.430 6.093 50 40 JKGB CC/C(=N\NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)c1ccc(C)s1 8454674 VXQMJRHHMNMJSB-JJKYIXSRSA-N 455.627 7.113 50 40 JKGB C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccccc1Cl 9046886 AYLQPFPULHSKCF-NTFVMDSBSA-N 483.424 6.024 50 40 JKGB CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccccc1Cl 9273937 NIHKLVONHTUHIG-JOCHJYFZSA-N 455.942 5.136 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59303317 VFPZDCJNFTYIKG-JFLMPSFJSA-N 460.921 5.000 50 40 JKGB COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(/C=N/NC(=O)Cc2ccccc2)c1 59417198 AWYQOTZSCMWLFA-MZJWZYIUSA-N 473.407 5.107 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 59435242 IMOXVSYKKVWJCM-LQKURTRISA-N 483.618 6.271 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12 59536751 OBMLICAMFYONLP-LQKURTRISA-N 489.369 5.954 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCc1cccc(C)c1 107841755 RPQGQBSLMWOKFR-JFLMPSFJSA-N 489.553 5.860 50 40 JKGB O=C(O)c1cccc2c1N[C@H](c1ccccc1F)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]21 245232167 PTUQDKITXDSGSS-WWFBMYBLSA-N 498.963 6.471 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccccc2)cc1-c1ccc(-c2ccccc2)cc1 408725459 PIPXNTHDUKWFTG-NJZRLIGZSA-N 456.549 6.279 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)Nc1ccc(Br)cc1 408743967 IUKNNWGKBFJWPC-HAHDFKILSA-N 483.365 6.727 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OCC 408760892 ASJQWBQZHKMVFW-YBEGLDIGSA-N 490.195 5.884 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 408763573 SXGNSCOOZBKCBX-PDGQHHTCSA-N 451.309 6.067 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1C#N)C(=O)Nc1ccc(Br)cc1 408787721 FJBIDWAQCVKSAB-DEDYPNTBSA-N 458.315 5.445 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)ccc1OCc1c(C)cc(C)cc1C 408814540 PPNYSIFYVZBPHF-BUVRLJJBSA-N 484.596 6.452 50 40 JKGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3o2)c1C 408966763 NHUHVEBFLIIWTQ-VULFUBBASA-N 460.490 5.083 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 409052061 FWKGPAQWQMFSID-XODNFHPESA-N 475.347 6.183 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1)c1nc2ccccc2[nH]1 409066808 CPDDUNNRGDYNRG-RQZCQDPDSA-N 464.308 6.211 50 40 JKGB COCCN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)C2=C1CC(C)(C)CC2=O 409148863 SWBNNMOKFCJEMG-VWLOTQADSA-N 492.019 5.302 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccccc1Cl 409251893 AFNVXDINOUVYDT-ZHZULCJRSA-N 489.959 5.610 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc34)[nH]c2c1 409392215 OBBOTPQNTDMQCU-ZHZULCJRSA-N 476.492 6.276 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)[nH]c2c1 409392892 TUEVQTNITGMUCH-YVLHZVERSA-N 494.776 6.631 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 409394022 UNEVQEBCGUESAE-ZDLGFXPLSA-N 468.887 6.099 50 40 JKGB O=C(Nc1ccc(N=C=S)cc1Cl)c1cc(Br)cc(Br)c1O 1566138 HIJLHRKFBDDOIL-UHFFFAOYSA-N 462.550 5.557 50 40 JKGB C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 3166861 BBTDRUMRGLKZCA-JOBSNELWSA-N 487.781 5.599 50 40 JKGB O=C1C=CC=C/C1=C1\N=C(c2ccccc2OCC(=O)c2ccc(Br)cc2)SS1 5832753 VDUYPDGBSKTJHB-PGMHBOJBSA-N 484.396 5.759 50 40 JKGB CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)cc1 8739487 IHNYQRYEHFCCCX-NMWGTECJSA-N 489.648 7.382 50 40 JKGB N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@@H]1c1ccccc1Cl 9693166 RDHKUTFJKQCHOF-MRXNPFEDSA-N 460.784 5.322 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccccc1 15012262 JMJCZUDNHIWZTF-PDGQHHTCSA-N 451.295 5.713 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 16035761 QBKKJCGWIXCNQY-FYJGNVAPSA-N 483.593 6.312 50 40 JKGB N#CC1=C(N)OC2=C([C@@H]1c1ccccc1Cl)S(=O)(=O)N(Cc1ccc(F)cc1)c1ccccc12 20558471 RHOVMSYQFSNQQL-JOCHJYFZSA-N 493.947 5.006 50 40 JKGB CCOC(=O)C1=C(n2c(C)cc(/C=N/NC(=O)Nc3ccc(C)cc3)c2C)S[C@@H]2CCCC[C@@H]12 32107162 AUYFHUKDPARSMI-YBTWUBGBSA-N 480.634 5.606 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1cccc(C(=O)O)c1 33749834 UFIAUTQTUKKQNL-ODLFYWEKSA-N 451.881 6.219 50 40 JKGB CCCCCCCCCCn1c(CBr)c(C(=O)OCC)c2cc(OC(C)=O)ccc21 98002675 SCENVDDDNVHXQH-UHFFFAOYSA-N 480.443 6.779 50 40 JKGB CCCCCCCCCCCCOc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1 100846541 MUCCMGFZSWZCQL-QFMPWRQOSA-N 464.694 8.048 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1O[C@H](C)CC 108070054 WWIFRKFVNHEDIK-WJGWSCHNSA-N 499.405 5.951 50 40 JKGB FC(F)(F)C[C@@H](I)CCC[C@@H](I)CC(F)(F)F 169795282 WZCXGZJXUWLHSG-KNVOCYPGSA-N 487.991 5.669 50 40 JKGB CC[C@H](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](Br)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 253499580 KBSDBYDTKXUZDW-CEFIZSBYSA-N 493.614 8.686 50 40 JKGB biogenic COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 408529853 KFYNCYASESWCBP-XODNFHPESA-N 472.372 5.452 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(Cl)cc1Cl 408580717 RFTQJKCIZHLNEE-CXUHLZMHSA-N 477.160 7.538 50 40 JKGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 408610582 OJWHTXYOKJTTJM-FJEPWZHXSA-N 498.410 5.462 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1cccc(I)c1 408740735 DTFMLXIWLHZTMG-PDGQHHTCSA-N 467.310 5.244 50 40 JKGB Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)o2)cc1[N+](=O)[O-] 408746580 FJSAWUSTXCIGDH-GDNBJRDFSA-N 452.264 5.471 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc(C)c1 408776263 XPMVTXYASIMHPI-HFTWOUSFSA-N 477.608 5.558 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)Nc1ccccc1Cl 408792594 LFIITMOEQLUIDY-GZTJUZNOSA-N 480.782 7.195 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccccc1Cl 408793580 PORVVAMYXPXRLL-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408805671 BPSNAQHTOZMDLP-GJUJSRFFSA-N 466.412 6.598 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 408833072 ZDIJVSVPVUBYRW-JFLMPSFJSA-N 469.006 5.869 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(N5CCOCC5)o4)cc3)cs2)cc1 408844787 PKBFRRUCYXGZOK-JVWAILMASA-N 487.585 5.056 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1OCC 408872885 KPUMHVBOKLLBDI-NDZAJKAJSA-N 471.601 5.196 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1Cl 408890318 RHEAXIJFRVBMGG-KGENOOAVSA-N 470.931 7.065 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)c1OCc1cccc(Cl)c1 408891088 LHIKRRQKAQDFSL-QGOAFFKASA-N 462.889 5.171 50 40 JKGB CC[C@@H](C)Oc1ccc2ccccc2c1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1 408910009 INJSFFAMGWYSFQ-JZBVQRJASA-N 452.554 5.403 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccc(C)cc3)o2)c1 408914841 ZEHFQSKNFZBAKC-WJDWOHSUSA-N 483.387 6.446 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1cccc(C(F)(F)F)c1 408961153 ATFQDEXWZWYARR-UVHMKAGCSA-N 477.280 5.811 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Br 409059157 UNNWLCCHESFFKS-CXUHLZMHSA-N 492.211 6.163 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(C(=O)O)cc2)c1 409065496 IWQDLYZHVSNPEQ-VXLYETTFSA-N 481.335 6.125 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OC)c1OCc1ccc(C)cc1 409069929 JYQXRKGTVMHHBL-PCLIKHOPSA-N 496.563 5.643 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1)C(=O)NCCCc1ccccc1 409229318 NCOMRLXSGXWHOH-UCQKPKSFSA-N 474.944 5.273 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409253797 GUIDRQSKGVHSSS-MOSHPQCFSA-N 489.959 5.529 50 40 JKGB Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)c1 409397098 GCKPMUSLAKSXRZ-UHFFFAOYSA-N 487.559 6.435 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 2292158 VPMXIJNTAVFBRK-RUMWWMSVSA-N 475.979 7.229 50 40 JKGB O=C1c2ccccc2O[C@@H](c2ccccc2)[C@@]1(Br)[C@H](Br)c1ccccc1 2564992 ONSKQBKXYIPURM-BAGYTPMASA-N 472.176 6.273 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1 3232160 ZKDZMRGXDOXCAO-UDWIEESQSA-N 495.804 6.844 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 4047941 CVYZUNUJLCVVFK-ULJHMMPZSA-N 486.531 6.605 50 40 JKGB CC/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccc(O)cc1 8970009 BJTAJDZLOASNPA-COOPMVRXSA-N 485.613 5.279 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 9204397 NDISNMIENOJYTN-LGJNPRDNSA-N 492.200 6.028 50 40 JKGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)[nH]n1 12680717 ILHNJHRWKDLFFM-WKULSOCRSA-N 483.959 5.863 50 40 JKGB O=C(CSc1nc(/C=C/c2ccccc2)nc2ccccc12)N/N=C/c1ccc(Cl)cc1 13987904 HBKPFYLJHRGCST-LKXDQBMJSA-N 458.974 5.696 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 14134876 YZRISNGCQAKMCW-JFLMPSFJSA-N 457.357 5.664 50 40 JKGB C/C(=N\NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)c1ccc(Br)s1 14921364 KKKKECFZIPQHSG-BUVRLJJBSA-N 465.457 6.144 50 40 JKGB CCc1cc(-c2n[nH]c(C)c2-c2cc(C(=O)NN)oc2C)c(O)cc1OCc1ccc(Cl)cc1 26571873 YRBHYKOFZKKLPS-UHFFFAOYSA-N 480.952 5.057 50 40 JKGB CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OC 33458589 UNDJDGPEFJIWRL-PBTLCFMXSA-N 463.759 5.834 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl 58913250 WZHRAXQAFXQZLW-NSKAYECMSA-N 498.197 5.797 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c(C)c1 59201906 NRZUWSAFCZSJAE-UDWIEESQSA-N 451.353 6.735 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1 59225084 GXLBCFADSSBUHL-WOJGMQOQSA-N 471.771 7.080 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc2c(c1)OCO2 59335740 STHXVSVAJUYOFM-OYKKKHCWSA-N 496.563 5.976 50 40 JKGB Cc1c(OCC(F)(F)F)ccnc1C[S@](=O)c1nc2ccc(O[Si](C)(C)C(C)(C)C)cc2[nH]1 206562028 ZZJAXCWRAVWBSG-YTTGMZPUSA-N 499.631 5.899 50 40 JKGB in-vitro N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1ccccc1 408780472 ZKFWHEXFVYMICG-MNDPQUGUSA-N 457.986 6.633 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1ccccc1 408789801 LRBMNUAFOMZVNS-HYARGMPZSA-N 460.961 6.426 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 408791735 BRJASNWFSZLYQC-UDWIEESQSA-N 476.916 5.260 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 408792932 CDAONDIQEFFOST-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 408797080 FSFJCNDLCOHKOR-KGENOOAVSA-N 487.386 7.580 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccc(C)c(C)c1 408805117 DZEOOMACYXTBIW-PCLIKHOPSA-N 454.570 6.389 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OCc1cccc(C)c1 408806157 ARCXCQNTDNDHPI-FYJGNVAPSA-N 476.960 6.180 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(O)cc1 408807044 NYWOQJBGEODKHC-MHWRWJLKSA-N 473.743 6.477 50 40 JKGB CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 408812401 MWTUFZBLULTQFU-FBJMNJBLSA-N 492.211 5.612 50 40 JKGB COc1ccc(NC(=O)N/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 408813371 PJQZXNVHMILLAF-JJFYIABZSA-N 480.771 6.011 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(Br)ccc2O)cc1 408820791 YTZQDFJJDOPAKV-YUMHPJSZSA-N 474.358 5.685 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)cc1 408824125 PODBSJCUBCDMKL-XHPQRKPJSA-N 491.591 6.618 50 40 JKGB C/C(=N\NC(=O)CSc1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 408861669 UOJIXTUHBXPTLR-WPWMEQJKSA-N 451.979 5.533 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1Cc1cccc(F)c1 408869593 SNVRVZSUILHSBO-VCHYOVAHSA-N 469.343 6.668 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1OCc1cccc2ccccc12 408884953 ZJORJNGAIJZNNO-PXLXIMEGSA-N 468.940 6.626 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Cc2ccccc2Br)c1 408885031 WTBLYULVBSCPSZ-RGVLZGJSSA-N 495.804 6.556 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c([N+](=O)[O-])c1 408889971 LYNHNTUIFOFKDC-LDADJPATSA-N 463.877 5.381 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1cccc(Cl)c1 408927083 ZNETXIIXEWOTNP-CXUHLZMHSA-N 455.301 5.855 50 40 JKGB Cc1cccc(COc2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2Br)c1 408961171 BCFSYSKZZDGTKO-XODNFHPESA-N 491.307 6.119 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1)C(=O)NCc1ccccc1 408984249 MFVXKXQNZIOVPN-OVCLIPMQSA-N 486.709 5.494 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(C(=O)O)cc1 408984444 RDFZOTYOCYXABB-MTJSOVHGSA-N 490.943 5.870 50 40 JKGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)n1 408989492 HXXJBWYEYNUORX-MHWRWJLKSA-N 461.528 5.416 50 40 JKGB CCCCOc1ccc2ccccc2c1/C=N\NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 409007603 PSUPFPRYHMYOCC-DXJNIWACSA-N 477.564 5.637 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(Cl)cc1Cl 409195043 OVAAIEZZQZTIJT-RQZCQDPDSA-N 473.381 5.866 50 40 JKGB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1 409377664 KBVOOGXZBXEROD-DEDYPNTBSA-N 489.959 5.529 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2F)c(I)c1)c1cccc(F)c1 409390070 DOIZCRAJNBBLKO-ZDLGFXPLSA-N 473.260 6.213 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(O)cc1 1096167 ZLYMBQZWBZOEBW-GZTJUZNOSA-N 483.749 5.933 50 40 JKGB C[C@@H](Br)[C@@H](OC(=O)c1ccccc1Cl)c1cc2c(cc1Br)OCO2 1614642 OYRYQINIKOPUTO-JDNHERCYSA-N 476.548 5.513 50 40 JKGB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H](Br)[C@H](Br)c1ccnc2ccccc12 1754510 OVEVOPGYRGCOMR-SJORKVTESA-N 464.113 5.225 50 40 JKGB in-vitro Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 2405378 NMDMTJDDMPTDPX-CTHAODRQSA-N 491.975 5.853 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1ccccc1C(F)(F)F 3231419 LHKHKDIBZCACBC-LDADJPATSA-N 456.851 6.483 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c(C)n1-c1ccccc1Br 9203554 XZSVOYHKVBKJPR-ZMOGYAJESA-N 489.211 5.312 50 40 JKGB CCCCCC/C(CCCCCCCC/C(CCCCCC)=N/NC(N)=O)=N/NC(N)=O 9435725 RQRKBQTZRPVZNF-KKTFQPMKSA-N 452.688 6.097 50 40 JKGB CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCCOc2ccc(C)c(C)c2)c(OCC)c1 13881219 MYVLONSKZVLCHB-XDHOZWIPSA-N 488.378 5.393 50 40 JKGB C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C(\C)c1ccc2ccccc2c1 13882034 WQXCHYIRRZTZET-WDMWBOBFSA-N 485.613 5.217 50 40 JKGB N#C/C(C(=O)Nc1ccccc1Cl)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 33911291 URJGSHVAOBKKAK-UTDQILSNSA-N 477.948 5.544 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 59104249 ZNMPJJJBSSLTCS-NDENLUEZSA-N 486.959 5.193 50 40 JKGB C[N+]1=C(/C=C/C=C/C=C2/N(CCCCCC(=O)NN)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 205998393 OGIDWJYMDFIFMP-UHFFFAOYSA-O 497.707 6.037 50 40 JKGB Cc1c(Br)cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1Br 408531111 NGBKSPNGSRIPKV-KTZMUZOWSA-N 493.121 5.101 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccccc2Cl)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 408589531 LPPYJRMVOCEGRC-XODNFHPESA-N 470.787 6.722 50 40 JKGB COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2cccc(C)c2)n1 408725855 QIIZUUGWTLRGJX-NDZAJKAJSA-N 460.537 5.773 50 40 JKGB C=CCOc1c(Br)cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1OC 408741652 MXCSLORKYCKVSK-CHHVJCJISA-N 463.335 5.031 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)NCc1ccccc1 408747538 PJCCOZYVSHUXMN-NDENLUEZSA-N 481.777 5.905 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3ccccc3Cl)c(OC)c2)cc1 408870095 VDWPOPVCQCTKMI-UDWIEESQSA-N 465.380 6.701 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408880469 KCAJKQVMUCLNTJ-KPKJPENVSA-N 462.676 6.361 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OCc1ccccc1 408888535 WTVMZYPUVUFGNB-XDHOZWIPSA-N 476.916 5.562 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 408889746 GRRDLZHIUBOLTK-LZYBPNLTSA-N 492.189 7.425 50 40 JKGB Cc1ccc2nc(/C(C#N)=C/c3cn(Cc4ccc(Cl)c(Cl)c4)nc3-c3ccccc3)[nH]c2c1 408975797 NSNRDWTXPWRDNI-DEDYPNTBSA-N 484.390 7.154 50 40 JKGB CN1CCC(c2ccc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2[N+](=O)[O-])CC1 409033924 MIYKMXITRMCKCQ-FSGOGVSDSA-N 493.567 5.383 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1 409064028 BHBYWNYKAHDSHJ-GZTJUZNOSA-N 487.364 5.615 50 40 JKGB N#CC1=C(SCc2ccc(Br)cc2)NC(=O)C[C@@H]1c1cccc(Br)c1 409323330 NFUPDQIAWFSTCE-MRXNPFEDSA-N 478.209 5.484 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1OCC 409333299 ODSHDLPHYOKDJS-RHANQZHGSA-N 496.991 5.879 50 40 JKGB N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)c(Cl)c3)ccc2[C@@H]1c1c(F)cccc1Cl 606422492 XARPIQVLKKRVHG-FQEVSTJZSA-N 489.717 6.223 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccccc1Cl 1294281 JFDCRWMLHFGWOS-HSZRJFAPSA-N 450.922 5.132 50 40 JKGB Cc1ccc(NC(=O)NN(C(=O)Nc2ccccc2)c2nc(-c3ccc(C)cc3)cs2)cc1 1415241 KMEOCAFCMJNVET-UHFFFAOYSA-N 457.559 6.202 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2C)cc1 2397165 ICNRSZRZGCHKME-GOHCDNDPSA-N 488.012 6.022 50 40 JKGB CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC 6090191 KPPXKRQPFCDCKJ-LQKURTRISA-N 486.597 6.033 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 9202017 YHRUOUOWKIJGRT-KKMKTNMSSA-N 477.775 6.307 50 40 JKGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)cc1 19927887 DPOWYYLKEVAQAM-NTRYICDMSA-N 481.577 5.510 50 40 JKGB CCCC[C@@H](Br)C(=O)Nc1nc2ccc(OCc3ccc(Cl)cc3)cc2s1 20133045 MGMSHEAMQIBSLG-MRXNPFEDSA-N 467.816 6.421 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 20214062 HUHLCNOBCOEDOJ-SGWCAAJKSA-N 493.629 5.105 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2ccccc2)cc(Br)c1OCc1ccccc1 28217697 MGJUPMFTCSHABA-AFUMVMLFSA-N 485.403 5.279 50 40 JKGB Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1 34687522 JOROUOZXRCCJGN-QXPFVDMISA-N 479.624 5.778 50 40 JKGB N#C/C(=C/c1cn(Cc2ccccc2F)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 59333187 QRGCDJHPOASDEL-NKFKGCMQSA-N 464.544 5.084 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(N(C)C)cc1 59336024 BBXKGMBCWOKEDX-AQTBWJFISA-N 453.373 6.013 50 40 JKGB COc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 59336268 VAQNHZHSFFDOSO-WDZFZDKYSA-N 456.123 5.319 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccc(F)cc1 59534965 ZGKDZCNNOVNNJE-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB CC(C)c1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(Br)cc2)C3)cc1 83260138 PMGNPFMWXBDCSU-VYYCAZPPSA-N 462.391 5.857 50 40 JKGB CCS(CC)(CC)C[C@H]1CCCC2=CC[C@@H](P(=O)(c3ccccc3)c3ccccc3)C[C@H]21 102942014 QSMSZCUPJSORMZ-MOZWKJSSSA-N 468.687 7.370 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC 408540094 MZNXSGZZILREFD-XYGWBWBKSA-N 461.946 5.760 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(Br)cc1 408579901 LGFYXMMUTFAYGZ-FYJGNVAPSA-N 494.385 6.508 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1OCC(=O)Nc1ccc(Cl)cc1 408583462 UULIGDOUHAMALW-DEDYPNTBSA-N 492.959 5.838 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)c1 408745327 LQRMDOAVSGQCON-QQXSKIMKSA-N 492.575 6.762 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1Cl 408785206 ZTSYDPZUXDEDER-UYRXBGFRSA-N 450.897 6.002 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(OCc2c(C)ccc3ccccc23)c1 408796079 DHNACEQXAZHWJP-PXLXIMEGSA-N 482.967 6.935 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1Cc1cccc(F)c1 408872176 ANGQHVVGIRNFIN-CIAFOILYSA-N 462.952 6.577 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccccc1 408884564 ZSIXDHWRUADRBI-STBIYBPSSA-N 458.945 6.235 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccc2ncccc2c1 408964996 FHZDDDUTWPTSIF-QDTIIGTASA-N 467.356 5.478 50 40 JKGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)c1C 408986126 ZQYSTNGZQLCWBH-NDENLUEZSA-N 461.949 5.697 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(O[C@@H](C)CC)c(OCC)c3)cc2c1 409188236 XQYXPLINPWINLZ-OPAMSOAESA-N 458.942 5.825 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(OCc4c(Cl)cccc4Cl)cc3)CC2=O)cc1 409255797 IWKJZUWELGLXFE-GLYGWYKASA-N 496.394 5.384 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c2)cc1Cl 409263393 KPMQHZOARHXZMI-MTJSOVHGSA-N 473.960 5.828 50 40 JKGB CCc1ccc(CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)c(Br)c3)c2C)cc1 409362060 FIYYRTUFXWDXBM-YSMPRRRNSA-N 452.396 5.420 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Br)cc1F 867560 TTWHJVNQGDPZMK-WOJGMQOQSA-N 451.295 5.713 50 40 JKGB COc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 2229057 QCQYGUQCUBDEHW-ODOJCJTKSA-N 483.593 5.377 50 40 JKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ncc(Cc4cc(Cl)ccc4Cl)s3)o2)cc1 2291227 ZKCRGGLKMACQCL-WOJGMQOQSA-N 494.403 7.155 50 40 JKGB O=C(COc1cccc2ccccc12)N/N=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 2298209 UMBBPUUDIJDABT-WCMJOSRZSA-N 494.526 5.101 50 40 JKGB N#CC(C(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)=C1Nc2ccccc2N1 3316963 PKZLDBKQNVPVME-UHFFFAOYSA-N 476.993 5.648 50 40 JKGB O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1)c1ccc(Cl)cc1Cl 4063033 OMUQHDZEUBGCAY-LQKURTRISA-N 478.335 5.767 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1Cl 9140064 WCKIJCDULNWABV-LDADJPATSA-N 463.877 5.381 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)O)cc1 9261815 ZUZKMYYVOSIVNG-VCHYOVAHSA-N 497.334 5.825 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1)c1ccco1 13563090 MCADLBYEMCPKQH-XYGWBWBKSA-N 465.966 5.122 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)Sc3ccccc3)c2C)cc1C 20243746 AQXIKFCBZLPKFM-YMSFFTPVSA-N 484.463 6.104 50 40 JKGB Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)SCc3ccccc3)c2C)c1 20243847 ROJSVZFTKDPQLZ-RXJBCPCZSA-N 498.490 6.245 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2cccc(Br)c2)c(C)n1-c1cccc(Cl)c1 28216119 KCKQXWYKCAHTKY-BRJLIKDPSA-N 490.854 5.894 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1C 32116864 ITJGLRZLTKTOKD-PDGQHHTCSA-N 463.946 6.562 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1COc1ccccc1Cl 35316346 FXFVRFLBCXXCBW-HSZRJFAPSA-N 484.943 5.536 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl 58913001 UJXUOLOSRCIVFC-OPEKNORGSA-N 463.752 5.143 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(Cl)cc1Cl 58913008 ZRZCZTHWWUPJFK-OPEKNORGSA-N 463.752 5.143 50 40 JKGB CCOc1cc(/C=N/NC(C)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 59536216 WQZVSVQRAAPJKA-LSFURLLWSA-N 460.155 5.204 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc(Cl)c1 59679034 TXTTUWLESDIEKM-LCYFTJDESA-N 451.172 7.564 50 40 JKGB N#CC(NC(=O)c1ccc(Cl)cc1)=C(SCc1ccccc1)SCc1ccccc1 72427724 VCTMLWWQLAPDQN-UHFFFAOYSA-N 451.016 6.629 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 102471022 IGDUKCULFHCJEB-BOPFTXTBSA-N 467.403 6.260 50 40 JKGB COc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC 107793723 RZCUWLWITQMWEB-NTFVMDSBSA-N 473.529 5.047 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(O)cc1 108191624 DEPCXFJZFPTVRG-YVLHZVERSA-N 483.749 5.933 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 207056678 DDDNUMDNFCQNDI-WQRHYEAKSA-N 471.771 7.080 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(F)cc1)c1ccccc1 207155897 GBTQZORBNKSAIA-WBRURWICSA-N 479.349 5.952 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(Br)cc1 408526432 BYKZNQZUXKJADD-UYRXBGFRSA-N 469.176 6.855 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccccc1F 408543718 SIQNAVKQZMLYBF-JAIQZWGSSA-N 451.881 6.219 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])cc2-c2cccc3ccccc23)cc1 408727382 WEPFNLGHUFMBCI-RDRPBHBLSA-N 475.508 5.673 50 40 JKGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c(C)n1-c1ccc(Br)cc1 408786544 KHFIEAZQLDPAHL-JMUPCNFVSA-N 485.389 5.064 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccccc1Cl 408792879 BTMGZTNWLJNZOU-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OCC 408810769 MUPXUWUVRIDPPU-LDADJPATSA-N 456.926 5.250 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2c(C)ccc3ccccc23)c(OC)c1 408866319 DZBTXVNSLNTALZ-KOEQRZSOSA-N 476.576 6.844 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1Cc1ccccc1Br 408872150 AADVTDCVIUAQTG-OEAKJJBVSA-N 489.413 6.601 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1Cc1ccccc1Cl 408875926 MLDBCUXZOPJCSH-YBFXNURJSA-N 455.772 7.092 50 40 JKGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 408894910 LAWFYUXTXYBKNP-RPPGKUMJSA-N 463.748 5.755 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1 409032523 JEQSPNXNJOFSNF-OGLMXYFKSA-N 470.598 6.415 50 40 JKGB C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1 409057706 QJGWDBXNVVEDDU-NTUHNPAUSA-N 494.570 5.423 50 40 JKGB N#C/C(=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)C(=O)Nc1ccccc1Cl 409089163 HNGPWAGSVNDNJW-GDNBJRDFSA-N 487.821 6.605 50 40 JKGB Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)N(C)C4=C3C(=O)CCC4)cc2Br)cc1 409124118 GUZNRVHBAIMWMX-QHCPKHFHSA-N 478.390 5.067 50 40 JKGB O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 409163243 OCKDKYXTTJLHLC-RPPGKUMJSA-N 495.746 5.914 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409243929 ZCSUZBWPFVAIAI-NVJOKUIPSA-N 495.765 6.066 50 40 JKGB COc1ccc(C(=O)N/N=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC 409326231 ISPBYCVSHRXTLC-WKIKZPBSSA-N 489.406 5.187 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccc2ccccc2c1 409392146 LMJCPJNMMUZPEK-FMCGGJTJSA-N 488.356 7.393 50 40 JKGB Cc1cc(Cl)c(Cl)cc1NC(=O)[C@H](Br)[C@H](Br)c1ccccc1 1738215 XZXJCHGERZXFSX-HUUCEWRRSA-N 466.000 6.140 50 40 JKGB CCOc1ccc(-n2c(SCC(=O)N/N=C/C(C)=C/c3ccccc3)nnc2-c2ccccc2)cc1 1818407 NRSZIOPFLQWCRF-CTLUWPDTSA-N 497.624 5.631 50 40 JKGB COc1ccc(-n2c(SCCCCl)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1 2306803 FJFAYCCVRPHZPJ-UHFFFAOYSA-N 481.061 6.387 50 40 JKGB CC(C)CN(C(=O)Nc1ccccc1)N(CCOC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 5742693 AWRSRBCYYHUHKA-UHFFFAOYSA-N 489.576 5.874 50 40 JKGB O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/C(Cl)=C\c1ccccc1 8837323 GEXUZTXXZDUANC-ZVKZYKMOSA-N 495.435 6.212 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3c(Cl)cccc3Cl)nc3ccccc3c2=O)cc1 16712107 VJJKLFQVILGSOW-WKIKZPBSSA-N 497.407 5.243 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Cl)cc1Cl 28216325 FELNILFVRNCDJP-NSKAYECMSA-N 485.198 6.237 50 40 JKGB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1 33688907 WMPFBLVHFVOGNG-BOPFTXTBSA-N 496.350 5.565 50 40 JKGB CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1ccc(C)cc1 33730752 NADBARFPIMWOOO-DICXZTSXSA-N 496.405 6.199 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)c(OC)c1 34880077 LJYIVHBXSXKPRI-UVHMKAGCSA-N 489.355 5.362 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1Br 59433636 YDHFCFWASKZDGW-MHWRWJLKSA-N 490.195 5.884 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)ccc1OCc1cccc2ccccc12 59463283 LZGFBMMMICPTNT-WCMJOSRZSA-N 497.551 5.108 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(Cl)cc1 59485115 MUJKVPRRMNLYON-ZDLGFXPLSA-N 489.196 7.408 50 40 JKGB CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)c1ccccc1)=C(C#N)[C@@H]2c1ccc(Cl)cc1 100960434 UBBNHESVLBDORZ-QHCPKHFHSA-N 463.002 6.021 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(C(=O)O)cc1 408580891 FDWJBQOWRFUFNT-LPYMAVHISA-N 459.498 5.444 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1OC 408583011 QVVZWMNOJHUWSO-DJKKODMXSA-N 484.335 6.352 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)c(Br)c2)cc1 408743983 CZSKJCRFQLSCDD-PDGQHHTCSA-N 481.321 5.721 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 408746593 SWXDFZUARVAKPD-UNOMPAQXSA-N 477.904 5.772 50 40 JKGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 408775177 FUDCIKVGDGTVHH-NHFJDJAPSA-N 484.021 5.001 50 40 JKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)cc2)c1 408776692 QCWOENDZOXVPBG-STZFKDTASA-N 491.385 6.361 50 40 JKGB N#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br 408788319 JOHLDDPGPFXDFU-KPKJPENVSA-N 495.558 5.313 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1Cl 408793735 GIQHLDRFWGNPOG-LPYMAVHISA-N 487.386 7.580 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2C#N)c1 408797237 QWUHSNMTELXTBD-CIAFOILYSA-N 472.342 5.754 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cc2cc(Br)ccc2o1 408818272 XIHXTGBBFFDHIU-RMORIDSASA-N 488.681 5.781 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)c(OCc2ccc(Cl)c(Cl)c2)c(C)c1 408857830 MTXYKNSJJJKFPN-CIAFOILYSA-N 465.380 7.043 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2cc(Cl)cc(Cl)c2)cc1 408861164 OLZKRYITKFJQLZ-UHFFFAOYSA-N 496.460 5.714 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 408865476 AVFYOJQNNRMLSG-UDWIEESQSA-N 464.924 6.175 50 40 JKGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408915420 YDZPJAMZIMXPDK-UVHMKAGCSA-N 457.357 5.718 50 40 JKGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OCC 408947929 DQXUIPKFQJDSLN-UNOMPAQXSA-N 494.389 5.160 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OCc1ccccc1Cl 409068840 JEVLZDFILHRLOL-FYJGNVAPSA-N 493.390 6.855 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)cc2c1 409187360 PKMQPJFPPYUBQW-ROTLSHHCSA-N 452.850 5.207 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2)cc1C 409258671 YPPORDMXWATJJH-XSFVSMFZSA-N 459.933 5.520 50 40 JKGB Cc1cc(C)c([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(Cl)cc1C 650684 FCYUMVYYYLEQEL-KCWPFWIISA-N 483.015 6.438 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)N(c3ccccc3)C2=O)cc1 2284250 NMTFZGXZBINXSQ-MZOFLMDJSA-N 488.012 6.022 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCCCOC)cc1C 9067174 MTHOTGMHHWYUFR-PTGBLXJZSA-N 472.589 5.086 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1Cl 9934864 WJEOOYUFFLQWLP-XODNFHPESA-N 462.855 5.710 50 40 JKGB Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 9971629 AKUZUMQGZBVKDM-OPVMPGTRSA-N 482.707 5.653 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OCc3cccc(C#N)c3)c(OCC)c2)cc1 10476027 DWPQRQRSYYEWOL-OCSSWDANSA-N 491.975 5.281 50 40 JKGB CC(=O)Nc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 16890447 VSYYIHUTEVDJIV-RVDMUPIBSA-N 462.918 5.505 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cn(CC(=O)Nc2ccc(C)cc2)c2ccccc12 18081288 LZNOIZSSQJRZNK-FSJBWODESA-N 484.563 5.597 50 40 JKGB CCCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccccc2Cl)/C(=C/c2ccccc2Cl)C1 19816239 GNLYZBQDDKUARK-XUUSCSPLSA-N 452.385 5.864 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccccc1 20347822 KMVZJRPMKPMLAC-HSZRJFAPSA-N 479.989 5.137 50 40 JKGB Cc1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2Br)cc1 23234531 ISVXWSZJLQYVQD-CPNJWEJPSA-N 481.346 5.032 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 28216073 ZXVQPFODQQCBRL-KBKYJPHKSA-N 480.848 6.438 50 40 JKGB Cc1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1 30721901 XHICNYRLQSMRGM-VYYCAZPPSA-N 496.423 5.792 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3cccc(Cl)c3Cl)n2-c2ccccc2)cc1 33361444 FVNULZYPMIQAHH-VYYCAZPPSA-N 496.423 5.792 50 40 JKGB CCN(C(=O)c1ccccc1Cl)[C@H](c1ccco1)P(=O)(c1ccccc1)c1ccccc1 104159629 ISXBQWLZROUGHU-SANMLTNESA-N 463.901 6.108 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC 408539354 VTOHKCAXOYLDEI-HMMYKYKNSA-N 489.443 7.677 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1OC(=O)/C=C/c1ccccc1 408718600 HQGVQAFWJUOVJG-FNUFAGEZSA-N 493.357 5.231 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1Cl 408726684 PAVUGEUJPMGDNW-MZJWZYIUSA-N 473.356 5.744 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 408742791 CBDOIURXIYUFAT-WQRHYEAKSA-N 485.342 6.656 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)c1 408744563 FZVCMHYQEFQOOG-STZFKDTASA-N 476.960 6.262 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 408789586 KILSDNQVXYHSTE-UDWIEESQSA-N 491.931 5.944 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc2ccccc2c1 408797843 TXXHZFNFRCOKSH-CVKSISIWSA-N 462.549 6.590 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCc1cccc(F)c1 408816648 JYPKAOOOPWVUDY-NHDPSOOVSA-N 494.950 5.689 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1 408853167 YZWYGRGBJPEETP-STBIYBPSSA-N 467.525 5.135 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc2ccccc2c1 408854471 GJNPKDCLOAIFQY-MBTHVWNTSA-N 486.369 6.520 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cc2cc(Br)ccc2o1 408854708 AIVFMOZIIGOBEY-YSURURNPSA-N 478.129 6.526 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1cccc(Cl)c1 408862920 JJDFXUBARXJDMH-UVHMKAGCSA-N 477.775 6.388 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1Cc1cccc(F)c1 408876734 QNYCRXZYKYHCOU-RQZCQDPDSA-N 499.767 6.387 50 40 JKGB COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1 408878946 BVJYTNHIONLKBO-SFQUDFHCSA-N 467.308 5.767 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl 408886805 MHCAFKSNBOWZIY-MHWRWJLKSA-N 492.189 7.425 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 408896966 PHFKGJOULLAVQN-DHRITJCHSA-N 451.935 5.303 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Br)cc1OCC#N 408982429 GYGHSMGCCKBHBL-OQLLNIDSSA-N 474.742 5.258 50 40 JKGB C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 409037837 NXZJIADTKQXRSO-OGLMXYFKSA-N 486.369 5.993 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 409088184 FFVQDILOTDTVGF-LDADJPATSA-N 458.430 5.458 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)c(Br)cc1OCc1ccc(F)cc1 409126511 BSCAPYZDMYWMAM-QHCPKHFHSA-N 497.320 5.100 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4cccc(F)c4)c(OC)c3)cc2c1 409186626 FSCFWLUMAKVSNB-NUJZUDFISA-N 496.922 5.976 50 40 JKGB C=CCc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(OC)c1OCc1ccccc1 409200047 FYSCHVLSTPAPKR-LQKURTRISA-N 481.017 5.899 50 40 JKGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 409219763 PZNDGDDUTXKNLB-GHRIWEEISA-N 466.324 5.557 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1OC 409333119 IVDXPZYJHJUYIG-NTFVMDSBSA-N 482.964 5.489 50 40 JKGB C=C(Nc1ccccc1N)/C(C#N)=C/c1ccc(OC(=O)c2cc(F)c(F)cc2Cl)c(OC)c1 409336825 WJOAPOVZBPZLOW-CXUHLZMHSA-N 481.886 5.961 50 40 JKGB CCOc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)ccc1OCc1ccccc1 409391996 MOCWVYGPAIEXSE-YQYKVWLJSA-N 464.565 5.947 50 40 JKGB Cc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(F)cc1Cl 650871 ULUUJLVDRIWUBH-OAQYLSRUSA-N 472.969 5.879 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1cc(C)cc(C)c1 1107260 FEICKRDGLLCUEV-RUZDIDTESA-N 458.558 5.342 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)N3CCCCCC3)N(c3ccccc3)C2=O)cc1Cl 2370544 YWUDSZZMBDXOQB-GFPZRUSRSA-N 480.033 5.477 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)c(C)n1-c1cc(Cl)cc(Cl)c1 3236785 BHBYVOYCTRPQGS-LZYBPNLTSA-N 489.200 6.709 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCCOc1ccc(C)c(C)c1 4196603 CMAPHPYRZCZAJI-XQNSMLJCSA-N 458.514 6.132 50 40 JKGB CC[C@H](c1ccc(OC(=O)NCCCl)cc1)[C@@H](CC)c1ccc(OC(=O)NCCCl)cc1 5103542 XAKNMEXJDPUAGG-SZPZYZBQSA-N 481.420 6.028 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(Br)c1OCc1ccccc1 8717326 AERJENTVXYIDCT-WOJGMQOQSA-N 477.383 6.711 50 40 JKGB COc1ccccc1OCCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 9660275 LCJUSVGYVDGSAS-CPNJWEJPSA-N 497.378 6.314 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 12285401 LBHBKSLOZOZECH-SSDVNMTOSA-N 456.321 5.093 50 40 JKGB CC(/C=N/NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1C)=C\c1ccc(C(C)C)cc1 13514116 UYWIWAOCRCUJDX-YEKVFKPWSA-N 468.026 5.557 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 14152062 UQGVHHWVTIXORQ-NTEUORMPSA-N 477.929 5.656 50 40 JKGB C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccccc1Cl 19826028 AYLQPFPULHSKCF-LQKURTRISA-N 483.424 6.024 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2C)=C(C#N)[C@H]1c1cccs1 20028772 FAHKCCYODGCKJO-QHCPKHFHSA-N 479.627 5.162 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)c(C)c1 27460914 HBQIUDGNONIJFV-OGCOBRASSA-N 453.567 5.368 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 33761288 FTLZLQMVIOWXNX-LSCVHKIXSA-N 465.849 5.808 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)ccc1OCc1ccc(Cl)cc1 58835131 KSENTXOQFFKLNN-LQKURTRISA-N 482.964 5.028 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 59249004 VBRATMOKAPPSNL-LCYFTJDESA-N 489.778 6.401 50 40 JKGB CCCCCCCCC(=O)N/N=C(/C)c1cccc(NC(=O)c2ccc(Br)o2)c1 97965582 UPKUEBVUSKSWBK-XYGWBWBKSA-N 462.388 5.885 50 40 JKGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2c(C)cccc2C)N=C2CCCC(O)=C21 102872612 FNNPSPGSINCYGA-RUZDIDTESA-N 487.625 6.343 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(O)CCCC3=N2)cc1 104077647 NJVQPUOLMHSCSN-QHCPKHFHSA-N 463.990 6.290 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 408569340 NIGKBDQNZABPCO-JFLMPSFJSA-N 482.602 5.412 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408579223 DWNMXBHXIUOUFB-GZTJUZNOSA-N 488.849 7.522 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1cccc(F)c1 408581735 ZBLSIINFZFPRKF-VXLYETTFSA-N 486.768 7.283 50 40 JKGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408719849 NHZKCYKJNVOYAM-MFKUBSTISA-N 469.950 5.460 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 408745668 UWIXGSDQQDXJAV-SGWCAAJKSA-N 479.583 7.665 50 40 JKGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc1OC 408773603 RUIGRJNWXAJLNO-ATVHPVEESA-N 472.383 5.248 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2cc(Cl)ccc2C)cc1 408780057 RAVYVQAJXHLFFH-LQKURTRISA-N 498.048 5.426 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1OCc1ccc(C(=O)O)cc1 408788129 IMRWPYROIZIRDF-HZHRSRAPSA-N 470.525 5.471 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1 408790298 VMCJHCZCOQNJMG-LPYMAVHISA-N 487.386 7.580 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(I)cc1 408795095 KYQBEMNUQHRHBH-XSFVSMFZSA-N 494.332 5.724 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)cc1 408801244 UGOOTPCHXOESBT-LTGZKZEYSA-N 479.492 5.881 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c1 408814268 YXBODKGHLAFHBJ-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(C)c(C)c1 408818441 WVFQTPORGMUBJV-CIAFOILYSA-N 495.406 7.134 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1Cc1ccccc1Cl 408867154 JQRDXNZMVISBRJ-LICLKQGHSA-N 455.316 6.278 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cccnc2)cc(Br)c1OCc1ccc(Cl)cc1 408881634 JSUFYHSNNYEPAJ-ZRGSRPPYSA-N 488.769 5.239 50 40 JKGB Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)c2)cc1 408889535 DVNDWQVMHZXMTC-GIJQJNRQSA-N 482.323 6.335 50 40 JKGB COc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 408901037 ZJYVRVUBJZAEKY-NBVRZTHBSA-N 477.314 5.223 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OC)c1OCc1ccccc1 409074359 QCRJSNGPRZXLJV-HYARGMPZSA-N 492.497 6.567 50 40 JKGB CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)o1 409192467 CYWSQUSFPLKWRA-KBKYJPHKSA-N 479.747 6.236 50 40 JKGB CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(Cl)cc2)cc1 409223457 FOFWGSIFUZJDDN-VYYCAZPPSA-N 484.339 5.325 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 409228270 WOWYCBUYXZASRN-QDTIIGTASA-N 454.332 5.828 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)NCCCc1ccccc1 409242059 PZVRICKWISIORC-JCMHNJIXSA-N 493.376 5.823 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)c1 409252014 BCRPCIHKRJFPDV-YBFXNURJSA-N 494.378 6.173 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)o2)cc1 409393562 YNTDVAHEWKBNBS-VUTHCHCSSA-N 452.510 5.406 50 40 JKGB OB(O)c1cc(-n2c3ccccc3c3ccc(-c4ccccc4)cc32)cc2c1sc1ccccc12 2362797562 HFOHYRISAVOUMQ-UHFFFAOYSA-N 469.374 6.498 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(=O)/C(C#N)=C/c1ccc(Cl)cc1 953470 ROKBJSYQKCNHMS-FUZKNQEWSA-N 497.938 5.085 50 40 JKGB ClCCN(CCCl)c1ccc(/C=N/c2ccc(N(CCCl)CCCl)cc2)cc1 1558031 KEAVXJUHRZUZOP-YZSQISJMSA-N 461.264 6.005 50 40 JKGB Cc1cc(N(CCCl)CCCl)ccc1/C=N/c1ccc(S(=O)(=O)Nc2nccs2)cc1 4982852 UVXKYOLWKULCIM-MFKUBSTISA-N 497.473 5.287 50 40 JKGB O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1)c1ccc(F)cc1 8812302 HJWZJPIJSYGBAU-BRJLIKDPSA-N 461.718 5.585 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccccc1Cl 9009023 CKSWUDPVYCLFFT-IMRQLAEWSA-N 476.005 5.529 50 40 JKGB CC(/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)=C\c1ccccc1 9076318 FOOCKZIBONLFSV-WUSAKTFYSA-N 473.646 6.056 50 40 JKGB Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(OCc4ccc(F)cc4)c(Br)c3)nc2c1 9263484 DDMITAPMUMHYHH-WOJGMQOQSA-N 462.322 6.416 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccn3)N(c3ccccc3)C2=O)cc1Cl 9427742 DBXWYVGNEXQJFE-XKCZREFCSA-N 474.973 5.108 50 40 JKGB COc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3cccc(C)c3)N(c3ccccc3C)C2=O)cc1 12273808 XNIPGTDLTNDTPA-RAMZYJDASA-N 483.593 5.377 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 14131245 YZYROAYHCHUZEK-JAIQZWGSSA-N 468.778 7.063 50 40 JKGB N#CC1=C(N)OC(C(Cl)(Cl)Cl)=C(c2nc3ccccc3o2)[C@@H]1c1ccc([N+](=O)[O-])cc1 16545263 BUHHUQZXEXOJBG-OAHLLOKOSA-N 477.691 5.325 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(CCC)C(=O)C(C#N)=C2C)c(C)c1 16741252 JMNAVPHIHROVEQ-ONUIUJJFSA-N 492.579 5.415 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1O[C@H](C)CC 33560402 GHIAAKJRCKDWGT-KWZJRMENSA-N 459.340 5.276 50 40 JKGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)Cc1ccc(Br)c2ccccc12 39383587 GTKKGRGWTZPZAF-VULFUBBASA-N 481.781 5.443 50 40 JKGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Cl 59336198 UKQZTOZXALCYNW-WZUFQYTHSA-N 474.127 5.398 50 40 JKGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 67321634 MYIRVKFXDUJNEP-HTJPIVQRSA-N 488.547 6.325 50 40 JKGB CC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccccc1F)N2 101178111 RQWJLQMHPALCFV-ABNLYDASSA-N 496.991 6.975 50 40 JKGB C[C@H]([C@H]1CCC[C@@H]1P(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1 106804818 IHERDRRKNNMAEF-NSQROVRMSA-N 478.641 8.824 50 40 JKGB C#CCOc1c(I)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OCC 408581043 SYVHCOZAVPZDFA-MHWRWJLKSA-N 463.702 5.419 50 40 JKGB COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)ccc1OCc1ccc(Br)cc1 408691604 HWXJZDPONHNHGF-NDENLUEZSA-N 474.358 5.994 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc2-c2cccc3ccccc23)cc1 408727856 YDLWAAPWLQHWDB-OCSSWDANSA-N 474.520 5.494 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)cc1[N+](=O)[O-] 408743499 GDPBFRHVFRSGKK-WQRHYEAKSA-N 479.334 5.619 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccc(Cl)cc1 408745151 KGSNQJIPFSBKOI-PDGQHHTCSA-N 467.750 6.227 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCc1ccccc1 408794531 JLSOIYYCBQYZLX-NLRVBDNBSA-N 490.559 6.399 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)c1C 408807276 GUMYZZFPSDRGBH-BUVRLJJBSA-N 466.968 7.235 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(C)cc1 408812373 OOUSJAONEJBNQV-VYYCAZPPSA-N 493.357 5.855 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1cccc2ccccc12 408815143 QKTGNNDQNFGALA-NLRVBDNBSA-N 462.549 5.693 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(Br)s4)cc3)cs2)cc1 408844657 PAFWMZQTSUGYMR-WYMPLXKRSA-N 497.443 6.450 50 40 JKGB O=C(N/N=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1cc2ccccc2o1 408845650 GXTOXFJOJYLOBW-ZRGSRPPYSA-N 484.295 5.991 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1ccccc1Br 408878700 BKSNYDSDBLABMD-XSFVSMFZSA-N 477.358 5.972 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(Cl)c1OCc1ccc(C)cc1 408891478 REEBKCMITQVRQY-LGJNPRDNSA-N 487.781 5.762 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 408951638 UTXWSBTWDHIUSX-QDTIIGTASA-N 495.894 5.015 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 408984858 TWDYZPOOVWQLPW-YVLHZVERSA-N 458.776 6.908 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccccc2F)cc1)c1cc(-c2ccccc2)nc2ccccc12 409030837 ICZVFIAWWSDGEP-MZFJOGFUSA-N 475.523 6.384 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1OC 409322691 MTCRGUHKUMURFG-YKQZZPSBSA-N 484.552 5.599 50 40 JKGB C[C@@]1(c2ccc(Br)cc2)CC(c2ccc(Br)cc2)=C(C#N)C(=N)C1(C#N)C#N 837002 LKMFUZPFWRMTET-NRFANRHFSA-N 494.190 5.904 50 40 JKGB CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)cc1 1765914 LQTJVLWYANAXQF-OGLMXYFKSA-N 485.613 5.056 50 40 JKGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1cccc(C(F)(F)F)c1 2632569 WQLHARWUTAVSNU-RWPZCVJISA-N 481.503 5.196 50 40 JKGB N#CC(C#N)=C(C1=C2C=CC=CN2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccccc1 8844864 XYBATOCFWBCVRD-MFMCTBQISA-N 485.974 6.829 50 40 JKGB COc1ccc(Cc2nc(NNC(=O)c3ccc(Cl)cc3)c3c4c(sc3n2)CCC4)cc1OC 9128067 BSHFSJPIFDZZTF-UHFFFAOYSA-N 495.004 5.198 50 40 JKGB Cc1cc(C(=O)NNC(=O)CSc2cccc3cccc(Cl)c23)c(C)n1-c1ccccc1 12613267 IPBWZEUKMRTTKP-UHFFFAOYSA-N 463.990 5.454 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCCOc1ccc(Cl)cc1)C(=O)NCc1ccco1 13895965 WHIUPCAJWMXUIW-MHWRWJLKSA-N 491.758 5.921 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)N1 19831172 JCAIXENUOQYGBD-AREMUKBSSA-N 498.608 5.603 50 40 JKGB Cc1cccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(=O)(=O)c2ccccc2)c1 19948036 WVLHELWXGGYBBJ-UHFFFAOYSA-N 483.678 5.967 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1cc(Cl)ccc1Cl 20760473 VFPGRTAULVVUEX-BHGWPJFGSA-N 465.178 5.927 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 28216741 USMAVVZLBCAOTM-ROCQKPIASA-N 460.430 6.173 50 40 JKGB O=C(COc1ccccc1-c1ccccc1)N/N=C\c1ccc(OCc2ccccc2Cl)cc1 30802560 SRDJMTLAAJPKPW-YKQZZPSBSA-N 470.956 6.115 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccccc1 59437059 NATCNGKXAJPFSI-XAYXJRQQSA-N 477.630 5.050 50 40 JKGB CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(-c2ccccc2)cc1 169840202 OXDCRRPMMHYQKU-FCHUYYIVSA-N 471.670 6.394 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc2c(cc1Cl)N(C)C(C)(C)C[C@H]2C 208245715 KWLDUHUHLNSMGH-CJCQAYSXSA-N 478.818 5.597 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1 408549893 AZKWAGHBQIIJDH-UCQKPKSFSA-N 485.337 7.154 50 40 JKGB CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(CNNC(=O)CC#N)c2-c2ccccc2)cc1 408742656 XOVGQHSHELOFLF-UHFFFAOYSA-N 478.552 5.022 50 40 JKGB CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc1OC 408773898 TVSKTPMSXLMFIY-AQTBWJFISA-N 486.410 5.638 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)Nc1ccc(Cl)cc1Cl 408782011 VCSFLAWHFZDBSB-ZROIWOOFSA-N 455.257 5.635 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc(Cl)c1OC 408836181 ZQCYKYYTRZQMBS-XDHOZWIPSA-N 497.378 6.525 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1 408858802 SRAFJPWRMZVEMZ-VULFUBBASA-N 487.781 5.844 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cc1ccccc1Cl 408883381 QYNZWKBOLXOAMM-UDWIEESQSA-N 484.905 6.894 50 40 JKGB COc1cc(/C=N/NC(=O)CCl)cc(Br)c1OCc1ccc(Cl)cc1Cl 408885063 WYFNFHZYARGWJB-GZIVZEMBSA-N 480.573 5.032 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408887319 PLDDCDCWZQGEEE-LICLKQGHSA-N 468.296 6.026 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1cccc(Br)c1 408889640 IGUPTLVNQJBAIT-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)c([N+](=O)[O-])c1 408896612 OSTXARKLCWZCIX-WOJGMQOQSA-N 482.323 6.335 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)c3ccc4ccccc4c3)c2C)sc2c1CCCC2 408993109 CMNLYLUDYVITRZ-LQNQUEJISA-N 499.636 6.128 50 40 JKGB Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)Oc4cc(O)ccc43)cc2Br)cc1 409135251 UANKAZKLPQZNNB-QHCPKHFHSA-N 463.331 5.260 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc(F)c1 409208165 BOINTXUNVRKILV-NVMNQCDNSA-N 483.293 6.148 50 40 JKGB COc1ccc(Cl)cc1C(=O)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(C)cc1 409225525 QSRIFBJSFIUMTE-ZMFRSBBQSA-N 457.313 5.294 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)cc1 409267917 WUTUZHABQAACEP-XSFVSMFZSA-N 489.959 5.610 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1OC 409322710 LMQZTRKMXOTRGH-MBTHVWNTSA-N 487.383 6.134 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)cc1OC 705624 JXJAOPMNHAYBJF-JOCHJYFZSA-N 469.463 5.027 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccn(Cc2ccc(Cl)cc2Cl)n1 2096532 LBSURSSKTAUJNG-RWPZCVJISA-N 479.367 5.581 50 40 JKGB CC[C@@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3ccc4c(c3)OCO4)c3ccccc3n2)cc1 2109439 ZTBHSOMNUZXTNB-IUUQDGFPSA-N 451.526 5.908 50 40 JKGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 2216523 RRCFHXOMCZSCAQ-KBKYJPHKSA-N 450.800 5.010 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2cccc(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 2331068 DPTFKXUHAKWJLI-AFUMVMLFSA-N 456.015 5.158 50 40 JKGB CCCC/C(C)=N/NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 6471607 XBJNUSPJRQBAMR-LFVJCYFKSA-N 470.422 5.179 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 9187265 RZFUICVQTGLGLX-SRZZPIQSSA-N 453.542 5.757 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1ccc(Cl)cc1 12411594 NJVTXSVPEUEKGI-KGENOOAVSA-N 495.970 6.021 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1cccc(C(F)(F)F)c1 14361455 CVEPLCGGEHYSOL-BKBFXEPMSA-N 472.507 5.895 50 40 JKGB CC1=C(C#N)[C@H](c2cc3c(cc2Br)OCO3)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1 19830872 OWXPKWRWIKFOSM-PSLXWICFSA-N 497.776 5.716 50 40 JKGB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCCCCCC1 19947814 XSKTYXAJSABJND-UHFFFAOYSA-N 469.651 5.659 50 40 JKGB Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3)c2C)c1 20243609 JNPYEWRKTQZYAK-DHRITJCHSA-N 470.436 5.549 50 40 JKGB Cn1c(/C(C#N)=C/c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)nc2ccccc21 26842336 FAAKDEUMGUWPJK-JQIJEIRASA-N 498.340 5.200 50 40 JKGB CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 28214766 UHZVEFTWHBWOKE-RWPZCVJISA-N 496.032 5.300 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12 33730782 IVPRMYCGHNBLJP-KBVAKVRCSA-N 481.983 6.577 50 40 JKGB Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1cccc2ccccc12 38194566 PVZHYOXXWXNJFN-QXPFVDMISA-N 473.576 5.634 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCc3ccccc3Cl)NC3=C2C(=O)CC(C)(C)C3)cc1 96129995 GMWDGQSGNNAZHN-QHCPKHFHSA-N 465.018 6.347 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl 108896006 OBKSWBZPCWUWHX-ZMFRSBBQSA-N 488.327 5.182 50 40 JKGB Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3)c(Br)c2)c(C)c1 216040220 CBJAAFJFFXGBBD-YSMPRRRNSA-N 451.364 5.338 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)ccc1OCc1cccc2ccccc12 408567870 PVEXBMWSCKMFDP-STBIYBPSSA-N 499.523 5.498 50 40 JKGB O=C(NNc1cccc(OCc2c(Cl)cccc2Cl)c1)[C@H]1CC(=O)N(c2ccccc2)C1 408601436 AYAXPDKHJNXRSU-INIZCTEOSA-N 470.356 5.069 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc2ccccc2c1 408742878 CLHQIWMHOXRMEH-OYKKKHCWSA-N 482.967 6.935 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1ccccc1Br 408767435 XOLGDPASTPYOGV-DTQAZKPQSA-N 492.285 5.122 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 408798199 VDVRCCUMAIFCMV-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c(C)c1 408839145 NTXJMUMGDJMVAL-MZJWZYIUSA-N 476.989 6.288 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1Cc1cccc(F)c1 408872397 MNQVAJOQQGQOIZ-CAOOACKPSA-N 488.868 6.643 50 40 JKGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)cc2)cc1 408874063 ZBRKXARPDSPHIB-FMFFXOCNSA-N 489.619 5.896 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(Cc2ccccc2Cl)c(OC)c1 408878132 WSUCMRMVDLHTAS-UDWIEESQSA-N 465.380 6.701 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)c2C)cc1Cl 408943455 SRCQENAWHVURFB-RWPZCVJISA-N 458.949 5.298 50 40 JKGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)cc1Cl 408943511 SZTKMSYEQHTAAO-KBKYJPHKSA-N 493.778 5.152 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)c2C)c1 408968816 ZMAZPDJISVBTGK-MTJSOVHGSA-N 461.949 5.778 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)ccc1OC 409314726 GXXOXTOUGLINOE-NTFVMDSBSA-N 482.964 5.489 50 40 JKGB COc1ccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(Cl)cc1 2768397 RUSDJUYRFKGANO-RDGATRHJSA-N 470.960 5.521 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCc1ccccc1Cl 2946003 UQOQPXDCCQEEGT-DHRITJCHSA-N 473.754 5.454 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCc1ccccc1 4196453 ZAVKVCOVJHDXAN-CIAFOILYSA-N 491.385 6.199 50 40 JKGB CC[C@H](C)c1ccc(OCCOc2c(Cl)cc(/C=N/NC(=O)Nc3ccccc3)cc2OC)cc1 4207704 LZNBMJAJPGYTKB-VFKGCLKRSA-N 496.007 6.476 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccc(Br)cc1 8863236 ZQWWXRHYTVOLKK-BKUYFWCQSA-N 493.477 5.225 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 9261800 SMWZCRXHWCARQL-NTEUORMPSA-N 455.257 5.635 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(NC(=O)c3ccccc3OC)Oc3c2ccc2ccccc32)cc1 9762876 DUANCJBULZOGLI-AREMUKBSSA-N 462.505 5.546 50 40 JKGB COc1cc(/C=N/NC(=O)NC2CCCCC2)cc(Cl)c1OCCOc1ccccc1C 12285080 JDJIWUMAZHJWSG-WGOQTCKBSA-N 459.974 5.081 50 40 JKGB Cc1cc2oc(=O)cc(COC(=O)/C(C#N)=C/c3cc(C)n(CC(C)C)c3C)c2cc1Cl 16044330 VFVRJQJNPFBEMV-UFWORHAWSA-N 452.938 5.480 50 40 JKGB COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc4ccccc34)nnc2-c2ccccc2)cc1 16226377 OHZQVCSDYTZHSY-RDRPBHBLSA-N 493.592 5.339 50 40 JKGB CC(C)c1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1 32576861 SYYNTQUQJNOUDW-MBTHVWNTSA-N 477.033 6.104 50 40 JKGB CC(=O)Nc1cccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)c1 33375642 MABLWCIASDYMPA-RWPZCVJISA-N 458.949 5.374 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 33684220 UBWXTDMREUNUSG-MOSHPQCFSA-N 475.331 7.698 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc([N+](=O)[O-])c1O 36166254 NVAKTOAPNOESSG-WLRTZDKTSA-N 458.293 5.259 50 40 JKGB CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2cccc(Br)c2)cc1 38651487 AFUCCFRUVBAESB-HSZRJFAPSA-N 491.341 5.285 50 40 JKGB O=C(NNc1cccc(C(F)(F)F)c1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 57351456 ZFNWJLYRLFJHTR-UHFFFAOYSA-N 466.813 5.132 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl 59500480 ANYKOUHVKAJYPI-VYYCAZPPSA-N 487.339 5.384 50 40 JKGB O=C1OC(=O)[C@@H]2[C@H]1[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 253573676 RRYGIAWZXXLJOD-SNJRAOIRSA-N 482.535 5.386 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC 408537031 BWWAAYFSGTZCIY-XMHGGMMESA-N 456.970 6.252 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1nc2ccc(F)cc2[nH]1 408566735 IPGRPQCPFKZQBZ-SXGWCWSVSA-N 482.740 6.761 50 40 JKGB C=CCOc1c(I)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OCC 408580332 OLNPXFXJNMQIGV-MHWRWJLKSA-N 465.718 5.972 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccccc1 408725518 LBFCEDLUQAHTPD-NDENLUEZSA-N 477.358 5.891 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1ccc(Br)cc1 408737558 DEJWJAVWMVHUMF-FSJBWODESA-N 475.184 5.383 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 408743264 FKPJQXHKYKQWLX-UYRXBGFRSA-N 464.363 5.801 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)cc1 408744706 GOVLTMAOXPPBEE-WQLSENKSSA-N 458.257 5.716 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 408747188 KFNOYOBCQCEMNY-OYKKKHCWSA-N 482.967 6.304 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccccc1I 408760108 RPPVOPSGCSSJCA-KAMYIIQDSA-N 485.237 5.005 50 40 JKGB N#C/C(=C\c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc2ccccc12 408763636 GERUGCNXLUEJOX-HMMYKYKNSA-N 499.504 5.061 50 40 JKGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc(C(C)(C)C)c1O 408764496 UCADIVMILTYJSW-STBIYBPSSA-N 491.588 6.238 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 408764633 JQPLYWUDXLRLTL-GHRIWEEISA-N 487.364 5.615 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 408799404 YYUOWCQSUMPYEX-CPNJWEJPSA-N 481.335 5.905 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2ccc(Cl)cc2)c1Cl 408809701 IHVSJDKLYMFSJF-OPEKNORGSA-N 480.735 5.924 50 40 JKGB CCOC(=O)COc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1 408818768 OUDJDZNPTIWWMS-FSGOGVSDSA-N 481.552 5.159 50 40 JKGB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/c4ccc(Cl)cc4)cc3)sc2c1 408849347 ZTFOGQPEYREOGW-UVHMKAGCSA-N 482.392 6.533 50 40 JKGB CCOc1cc(Cl)c(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 408858166 XFXUCGZETKBTMG-YKQZZPSBSA-N 487.987 6.277 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(C)c1OCc1ccc(Cl)cc1 408859332 VWBYDXGXLBBMNU-LGJNPRDNSA-N 471.782 6.062 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cc(C)cc(C)c3)ccc3ccccc23)cc1 408895034 LOSGAFLZNZLZKF-XIEYBQDHSA-N 476.576 6.980 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccc2ncccc2c1 408967738 UFZLEZFWKQPXTM-ODLFYWEKSA-N 461.352 6.495 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2Br)c1C 408985482 XBXDPNRJRCXKKT-PDGQHHTCSA-N 468.782 6.364 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 409233700 WCZAIVHAVIPLOH-MZJWZYIUSA-N 474.586 5.681 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1OC 409321882 HNPUPRHWIKKNJH-MBTHVWNTSA-N 485.367 5.910 50 40 JKGB N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1453286 KYEYYSIJIWKCKY-FMIVXFBMSA-N 461.783 6.073 50 40 JKGB N#C/C(=C\Nc1ccc2cn[nH]c2c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 1826545 YONVDCUCVSFQGW-NTEUORMPSA-N 490.342 5.532 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1cccc(Cl)c1 2266203 IBYXFZFPJAQBTI-VULFUBBASA-N 488.444 6.000 50 40 JKGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 3145939 RTAMMIGLXUHKCL-LQKURTRISA-N 477.561 6.098 50 40 JKGB CCOc1cc(Br)c([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1OC 3672640 OXHKXWFADQNVKN-NRFANRHFSA-N 451.320 5.228 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccc(C)cc1 5948581 HRDQXHMWLMWCBK-VUTHCHCSSA-N 453.542 5.527 50 40 JKGB N#CC1=C(SCC(=O)Nc2cccc3ccccc23)NC(=O)C[C@@H]1c1cccc(Br)c1 9087500 JMRNYTBVLZTEFT-LJQANCHMSA-N 492.398 5.313 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(Cc2ccccc2Cl)ccc1O 9289456 CRYRTUAFLCKJEZ-AFUMVMLFSA-N 457.755 5.092 50 40 JKGB O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1-n1cccc1)c1ccccc1 9520018 HAUKDAJVXRIIAW-WPWMEQJKSA-N 488.341 5.223 50 40 JKGB CCc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)C3=C2CC(C)(C)CC3=O)cc1 12413333 NPUJXNYGQWSWKG-MUUNZHRXSA-N 487.003 5.258 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(C)cc3)C(=O)N2c2ccccc2)cc1 13581812 VEVDPZUVYFCVIQ-NLTRVXJZSA-N 469.566 5.069 50 40 JKGB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1 13774184 KANBGYUIGPSBNG-BOPFTXTBSA-N 480.517 5.294 50 40 JKGB C/C(=N\NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 19952053 MRAKAHSOBQSBFE-YZSQISJMSA-N 490.412 5.038 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1Cl 26779573 HYPSVRZTEBWLKO-RGEXLXHISA-N 493.954 6.304 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccc(C(=O)O)cc1 33479846 GBORGAVOCOGLIN-ODLFYWEKSA-N 451.881 6.219 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 35393768 NPYAWDXSRYLANO-BOPFTXTBSA-N 468.887 6.099 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl 40006579 FOKAXVFYAZTYJM-ACEGTKJHSA-N 475.372 5.173 50 40 JKGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 50954758 VKNZYBSUPKZWIW-DHRITJCHSA-N 450.951 5.038 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(F)c2)c(C)c1 59201814 ICVOLOBACVJOSQ-UDWIEESQSA-N 479.349 6.330 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc2ccccc2c1 59334734 FBTROERLDJABJZ-MTJSOVHGSA-N 479.374 5.575 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1ccc(C)cc1 408540661 AVMRKZSFPWIVCX-UUYOSTAYSA-N 492.369 6.498 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1cccc(I)c1 408540708 BAWIQWPJFNBLMX-ODLFYWEKSA-N 468.294 5.461 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc2ccccc2c1)C(=O)Nc1sc2c(c1C#N)CCCC2 408554707 TWIXJEPFAKXGQC-LFVJCYFKSA-N 489.600 6.776 50 40 JKGB C/C(=N\NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1 408778533 GWJDZPDPTKMLOI-QUPMIFSKSA-N 491.657 5.337 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(C)cc1 408792049 HBLATBZWZXBMHV-UDWIEESQSA-N 481.379 6.825 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc2ccccc12 408792143 IQQLEDBRSNUIPS-HZHRSRAPSA-N 452.941 6.926 50 40 JKGB O=C(N/N=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1 408846559 OAYLVTJNCNOVCO-MXAYSNPKSA-N 494.301 5.446 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc(C)c1OCc1ccc(F)cc1 408851880 AZWMKUHAGYKZOP-UDWIEESQSA-N 479.349 6.330 50 40 JKGB O=C(Cn1cc(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc21)Nc1ccc(Cl)cc1 408857620 OWMINONAMIBCJK-MUXKCCDJSA-N 470.916 5.444 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Cc2ccccc2Br)c1 408866591 IDMKQKGIGUHOFO-YBFXNURJSA-N 492.329 5.502 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 408866869 JRSMAMYWVKMLNJ-WOJGMQOQSA-N 452.297 6.038 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1cc(C)cc(C)c1 408888225 UBMCOJKTIYLHSZ-RGVLZGJSSA-N 464.924 6.229 50 40 JKGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1cccc(I)c1 409019682 VWPVXJNPUHNUTN-SRZZPIQSSA-N 498.798 5.921 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Br 409047607 OZAFWPMVVFNERJ-NTUHNPAUSA-N 452.102 5.583 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OCC)c1OS(=O)(=O)c1ccc(Cl)cc1 409067928 QUESRFHCJIHJMX-CJLVFECKSA-N 479.985 6.299 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Br)c1)c1ccccc1 409069026 VLXBIFJYJQEOPP-SFQUDFHCSA-N 474.763 5.934 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OC)c(Br)c3)cc2c1 409186919 JOAMJSLSOCQPPU-YVNNLAQVSA-N 496.155 5.129 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)c1 409223557 GVUKFCUDTWBZDJ-LDADJPATSA-N 480.351 5.865 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)c(C)c1 409227006 XAHMUIFVWLBTBF-MOSHPQCFSA-N 459.933 5.520 50 40 JKGB Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)=C2C#N)cc1 409325353 YCHDPFRIGSSDPH-HNNXBMFYSA-N 479.911 5.378 50 40 JKGB CSc1ccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 1821080 PXBVKXOEUAISRM-ZMOGYAJESA-N 496.708 5.948 50 40 JKGB Cc1ccc(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3ccc(C)cc3)n2-c2ccccc2)cc1 2097360 RJPFCLOPADFPNY-OHPNAPQJSA-N 484.629 5.127 50 40 JKGB CCCC(=O)NNc1nc2c(c(=O)n1[C@H]1CCOC(C)(C)C1)C1(CCCCC1)Cc1ccccc1-2 6471575 CLMHBXRDONNFSQ-FQEVSTJZSA-N 478.637 5.042 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(Cl)c1OS(=O)(=O)c1ccccc1 8721832 AIJRACGTFZZTHW-LFIBNONCSA-N 482.970 5.790 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 8781208 LQNNMIUFZKTQDF-YBEGLDIGSA-N 454.313 5.645 50 40 JKGB N#C/C(=C\Nc1cccc([N+](=O)[O-])c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 9046678 YUBHHUGNIWSYSS-JLHYYAGUSA-N 495.314 5.564 50 40 JKGB COc1cc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)[nH]n2)ccc1OCc1ccccc1 9374677 CFCFRXDZSTUINP-KNISEUQBSA-N 452.514 5.093 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1 9907428 IFWJPQYUHXEEJP-ODLFYWEKSA-N 497.378 6.525 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3cccc4ccccc34)c3ccccc23)cc1 20198111 FAYRSPVUIPAQFE-UZWMFBFFSA-N 475.592 6.704 50 40 JKGB CC1(C)CC[C@@]2(C(=O)NN)CC[C@@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)[C@@H](O)C[C@]43C)[C@@H]2C1 33707984 APYOKISKLZLBOK-ZUPRQTMJSA-N 486.741 5.110 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)ccc1OCc1ccccc1 33735555 ZKYSLBZHJUCERJ-OYKKKHCWSA-N 452.579 7.079 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)c3ccc(C(F)(F)F)cc3)c2)cc1C 33764597 FOKOXTLWHOAUFJ-BKUYFWCQSA-N 450.460 6.404 50 40 JKGB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)NN(c2ccccc2)c2ccccc2)cs1 36725135 UECIPFMFGFEGON-ISLYRVAYSA-N 454.555 5.710 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccco1 58980181 XNDDIIGVBXGKIN-LQKURTRISA-N 473.916 5.528 50 40 JKGB CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)c1C 59104899 IHQMYKRKJFWTHB-UXHLAJHPSA-N 452.602 6.136 50 40 JKGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1OC 59474927 LAQOSUDTNDUSMT-YVLHZVERSA-N 488.325 5.027 50 40 JKGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cc(Cl)ccc1Cl 109041898 MLWAWRDCQAMAML-FLIBITNWSA-N 452.124 7.106 50 40 JKGB COc1ccc(C(=NNC(=O)c2ccc(OCc3ccccc3)cc2)c2ccc(OC)cc2)cc1 199412616 LIWQBYRLXUFJDL-UHFFFAOYSA-N 466.537 5.465 50 40 JKGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc21 208247857 PUZQTCMFBNTCPU-ZTLXJKOPSA-N 476.020 5.448 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)ccc1OCc1ccc(Br)cc1 216044168 HSRAYYKQKJDIBI-NTFVMDSBSA-N 495.417 5.736 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccccn2)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 254410771 KKYLSUGHMCHASF-VBBUXOIPSA-N 459.590 5.350 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccccc1OCc1cccc(Cl)c1 408526156 AQNSZJHWPOLLMO-VFLNYLIXSA-N 461.871 5.500 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C#N)c1C 408546338 HEWQMSAJXRXKDD-RIYZIHGNSA-N 499.375 6.390 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Br)cc1 408744256 JVOZJLYKHOWCAB-AQTBWJFISA-N 467.750 6.227 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)NCc2ccccc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408746779 HAVCPLNPEHSGLM-JCMHNJIXSA-N 450.498 5.130 50 40 JKGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2)cc1 408756040 XGXLASJKKWXIPM-RDRPBHBLSA-N 467.525 5.020 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OS(=O)(=O)c1ccc(C)cc1 408757105 WTVUQDRYLGMSFT-MTDXEUNCSA-N 488.565 5.079 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCc1ccc(Cl)cc1 408773072 SKIRVBPIWMAFAX-NUJZUDFISA-N 476.882 6.100 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(N2CCOCC2)cc1 408776747 QZLZNSBWOAWSQY-ZHZULCJRSA-N 452.385 6.302 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)Nc2ccc(C)cc2)c1Cl 408818740 ORFZFNHRTUDHGG-BRJLIKDPSA-N 475.332 5.971 50 40 JKGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408826619 HUYWYZRSPZXIPQ-AUEPDCJTSA-N 464.330 5.545 50 40 JKGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408832807 RMRJZMDOIPHUSW-XSFVSMFZSA-N 477.347 6.130 50 40 JKGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl 408835820 YIMJUAFNFOFVSZ-DEDYPNTBSA-N 481.379 6.905 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c(C)n1-c1cccc(Br)c1 408866762 GKYUSSYSPDPZMM-JFLMPSFJSA-N 489.373 5.099 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Cc2cccc(F)c2)c1 408870041 UZXBPGIXFYOSIW-CPNJWEJPSA-N 465.322 5.733 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3F)ccc3ccccc23)cc1Cl 408876095 JJIUQDXNNVMKNC-PXLXIMEGSA-N 454.932 7.077 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OC(=O)c1ccc(C)cc1 408887775 UBECQKLNFLDQDR-CPNJWEJPSA-N 491.341 5.531 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1 408888058 SEQWQVJXJAXMSD-UKTHLTGXSA-N 450.130 5.074 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2C)c1C)c1ccccc1 408983029 ZWUZFWHALIZWHQ-GRIZMQLISA-N 480.996 5.384 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccccc2F)cc1Cl 408991268 PZURUOVYWAUVMG-ZDLGFXPLSA-N 499.767 6.675 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409069617 WJUQLRAEAVMCFK-GZTJUZNOSA-N 479.945 5.365 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCc3ccc(Cl)c(Cl)c3)cc2c1 409190258 QWOMAYAVESUISS-MUXKCCDJSA-N 483.351 6.481 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NCCCc1ccccc1 409243248 RBUXEGLPVOSZSB-QJOMJCCJSA-N 475.386 5.684 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)cc1OCC 409310084 QBBVOZHYBPHSKJ-FSGOGVSDSA-N 468.553 5.980 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1OC 409365623 RBMBBAUWKKOQBS-MUFRIFMGSA-N 475.976 5.361 50 40 JKGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3Cl)nnc2-c2ccccc2)cc1 1810554 BHKLXUALSZDBKO-JVWAILMASA-N 492.004 5.229 50 40 JKGB Cc1ccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)o1 1842139 OFQYXQIGLXASBV-SSDVNMTOSA-N 454.602 5.127 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)CSc3nc4ccccc4s3)o2)c([N+](=O)[O-])c1 2078382 TWOMOFXAJYRZSA-SSDVNMTOSA-N 452.517 5.015 50 40 JKGB Cc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1 6245063 FJXGAGCTDRGQDR-RPPGKUMJSA-N 460.430 6.093 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccco1 8837086 WBUAZKPFLOUAPX-HMAPJEAMSA-N 454.602 5.209 50 40 JKGB C/C(=N\NC(=O)Cc1ccc(Br)c2ccccc12)c1ccc(Br)cc1 9190702 VDFTUEOWNNSRCB-YDZHTSKRSA-N 460.169 5.448 50 40 JKGB CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)c1ccccc1)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 12250279 QVTFAJCLXXDVTQ-HSZRJFAPSA-N 473.554 5.276 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)N1CCCCC1 12629407 ZYNCPTBAYXSRSE-LICLKQGHSA-N 494.216 6.254 50 40 JKGB O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1ccc2ncsc2c1 13075778 BVKUFPSGMRBBNG-VFLNYLIXSA-N 483.471 5.539 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OCc1ccc(F)cc1 13388134 HXPMZKZZXBIANO-DEDYPNTBSA-N 475.476 5.566 50 40 JKGB C/C(=N\NC(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 20158270 SRTCFGOALISECR-RPPGKUMJSA-N 480.804 6.044 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccccc1 33672998 GOVPTZDFHDCAQP-WGARJPEWSA-N 457.313 5.375 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1OCc1ccc(Br)cc1 33685057 LIKVBNLJPXBSKA-STZFKDTASA-N 491.385 6.199 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC#N 59336511 DDRGYXAXGDRWPW-GDNBJRDFSA-N 491.172 5.932 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)c1ccccc1F 107759716 VADZAONHUQOABU-XKZIYDEJSA-N 458.330 7.385 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1cccc(F)c1 108052939 DHIFMGXNENIYEL-NVMNQCDNSA-N 483.293 6.148 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cc2cc([N+](=O)[O-])ccc2s1 108134410 XBQMAWGMSQLXJB-RMORIDSASA-N 460.298 6.140 50 40 JKGB CCCCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1cccc(C(F)(F)F)c1 408540047 MFESEHXAMKSSGL-NTFVMDSBSA-N 454.920 6.862 50 40 JKGB O=C(O[C@@H](C(=O)c1ccccc1)[C@@H](Br)c1ccccc1)c1ccc(Br)cc1 408688214 WNGUPILGSMHKRV-PZJWPPBQSA-N 488.175 5.994 50 40 JKGB C/C(=N\NC(=O)CSCc1cccc(Br)c1)c1ccc(NC(=O)c2ccccc2)cc1 408719483 GGCDRPUCZYOPAO-WPWMEQJKSA-N 496.430 5.475 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3ccccc3Cl)cc2-c2cccc3ccccc23)c1 408724552 LSWQHQYNDARWDJ-UXHLAJHPSA-N 464.956 6.418 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)cc1Cl 408735929 ZLRUPKSXZDDXFN-PCLIKHOPSA-N 465.984 7.269 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1cccc(Cl)c1 408792249 ADQIWICTVHIEEM-RQZCQDPDSA-N 485.740 6.366 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)cc1 408799417 YZPAZJQBLRACPI-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Br 408822942 CWSKOGQRBYUHLN-RIYZIHGNSA-N 479.758 5.454 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2cc(C)cc(C)c2)cc1 408833297 TXRSMOQXZGMIKU-UHFFFAOYSA-N 455.624 5.024 50 40 JKGB Cc1ccc(NC(=O)N/N=C/c2cc(C)c(OCc3ccc(Cl)cc3Cl)c(C)c2)cc1 408852396 KFZHLTIVXQRXIC-UVHMKAGCSA-N 456.373 6.653 50 40 JKGB N#C/C(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1ccc(Cl)cc1 408878529 BRNMNSHXTAHCJQ-FOWTUZBSSA-N 457.744 6.771 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1ccc(Cl)c(Cl)c1 408881467 NHODFFVKQWPKOW-LICLKQGHSA-N 497.334 5.825 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 408887727 SSVIEYYSMAMJJI-DTQAZKPQSA-N 473.337 5.307 50 40 JKGB CCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(I)c(OC)c1 409020608 RAFWTMOCLDLHMJ-OYKKKHCWSA-N 488.325 5.006 50 40 JKGB O=C(N/N=C/c1cc(Br)cc(Cl)c1O)c1cc(-c2ccccc2)nc2ccccc12 409034173 PPOOTIWFVWFVSS-LGJNPRDNSA-N 480.749 5.787 50 40 JKGB Cc1cccc2c(/C=N/NC(=O)CSc3cccc4ccccc34)c(C)n(Cc3ccccc3)c12 409049282 YTOGDJBPVDFGBK-FDAWAROLSA-N 477.633 6.702 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409073621 QQKKNXZZXPRGTE-QGOAFFKASA-N 484.917 5.479 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12 409221437 QGWQHJVBQRWSGX-MWLSYYOVSA-N 491.360 6.013 50 40 JKGB COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Br 409221651 UHPLVWBFTDQNKE-WZUFQYTHSA-N 459.649 5.676 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 409240462 KVBRXBQJTOHYQP-CTPANLQCSA-N 481.379 6.365 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(C(=O)O)cc1 409248339 PYCJRJANQZANSK-YPFLROGLSA-N 470.525 5.147 50 40 JKGB COc1cc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(Cl)cc1Cl 409373733 YOPSLGNIGUFKQZ-HXUWFJFHSA-N 460.361 5.759 50 40 JKGB O=C(CNc1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 409388057 TWIMHFKNSWELHZ-LGJNPRDNSA-N 472.770 5.244 50 40 JKGB Cn1cnnc1SCc1ccc(C(=O)N/N=C/c2c3ccccc3c(Cl)c3ccccc23)cc1 12623303 PIMNURFSTINAMK-CCVNUDIWSA-N 486.000 5.831 50 40 JKGB C/C(=N\NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)c1cc2ccccc2o1 12650525 ZHBSNWCKNNDAES-UXHLAJHPSA-N 459.505 5.900 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)Nc1ccc(F)cc1 16525785 FSMJMSJZWFHFQU-UYRXBGFRSA-N 491.349 7.410 50 40 JKGB CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cs1 18903073 PZVDYQCZZLXARF-LICLKQGHSA-N 462.987 6.669 50 40 JKGB C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 20060897 GJPAXKJAZWTOGT-QUPMIFSKSA-N 491.657 5.337 50 40 JKGB Cc1c(-c2ccc([C@@H]3C(C#N)=C(N)Oc4[nH]nc(-c5ccc(Cl)cc5)c43)o2)cccc1[N+](=O)[O-] 22709939 VPDLESNRGFEWIZ-FQEVSTJZSA-N 473.876 5.425 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)cc1C 27017934 FHRTUZBXFYRAGE-ULJHMMPZSA-N 462.553 5.470 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 32138957 OOZBJSZGBYYKAE-YSMPRRRNSA-N 486.440 5.221 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 33725350 KSHLJNOIVZYGGZ-JVWAILMASA-N 455.470 5.100 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cc2cc(Br)ccc2o1 59304413 URBCEWZLAWXTTK-SSDVNMTOSA-N 454.236 5.127 50 40 JKGB N#C/C(=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl 59336573 DUEXHUTWORBUOV-ATVHPVEESA-N 468.296 6.026 50 40 JKGB CC1=CC(C)(C)N(C)c2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc21 208443911 DHEAEYPEWNLLPZ-MXAYSNPKSA-N 452.352 5.591 50 40 JKGB CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC 408538428 MSCCHDPATGWNBH-PYCFMQQDSA-N 450.579 6.379 50 40 JKGB CCCCCCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1 408539801 YZCWVMJIBKBGEP-HEHNFIMWSA-N 454.998 7.024 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccccc1C#N 408676936 NSNPEPYIKSFIBN-OCSSWDANSA-N 488.975 5.163 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3Br)cc2)c1 408753598 BBJGVXKWANDFJF-NBVRZTHBSA-N 461.315 5.522 50 40 JKGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 408786931 YADIKXJRIKDTAS-LQKURTRISA-N 489.417 6.028 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)Nc1cccc(Cl)c1 408794350 ICLSDOPICLAYSH-LICLKQGHSA-N 485.740 6.366 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCC#N 408797014 QEHXNTZCWWWBGP-NTUHNPAUSA-N 450.709 5.494 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1 408807059 KABMCENAUDAFFP-PXLXIMEGSA-N 497.392 7.035 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(Cl)cc2)cc1 408807150 GJTFELWFMFAXTH-XSFVSMFZSA-N 462.933 5.872 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc(Cl)cc1 408813058 DMUGVECFEASGKJ-LICLKQGHSA-N 471.315 6.266 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC 408817832 WWRMNLRXEKXATI-MHWRWJLKSA-N 477.786 6.144 50 40 JKGB C=CCn1c(C)c(/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)c2ccccc21 408818179 YCPUSMQXWZGRQM-SXMPYHCESA-N 499.615 5.061 50 40 JKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408819494 YZXKSQBOYMCFTF-XDHOZWIPSA-N 495.348 6.030 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OCc1cccc(Cl)c1 408827582 KXYMROWMVSXNJN-MUFRIFMGSA-N 474.944 5.940 50 40 JKGB Cc1cc(/C=N/NC(=O)Nc2ccc(Cl)cc2)cc(C)c1OCc1ccc(Br)cc1 408858975 RUQSFRFHBNDGGL-LGJNPRDNSA-N 486.797 6.454 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1Cc1ccccc1F 408869999 RMIIADCRSRFIDF-LICLKQGHSA-N 481.321 5.439 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Cl)c1OCc1cccc2ccccc12 408891241 NIMDNAGYMYWEHZ-KCSSXMTESA-N 494.978 6.998 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c1OCc1ccccc1Cl 408894449 IENRNKQCNMOORO-CPNJWEJPSA-N 462.889 5.171 50 40 JKGB Cc1cccc(COc2ccc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)cc2Br)c1 409016335 HDBMQPNXZQUPTJ-WKIKZPBSSA-N 497.776 6.500 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1 409214567 WCQKJXBCZHHUAI-AUEPDCJTSA-N 484.202 6.258 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1Cl 409216840 OWUZNAOWFDPOTM-ODLFYWEKSA-N 469.324 6.943 50 40 JKGB N#CC1=C(N)Oc2cc(OC(=O)c3ccc(Cl)c(Cl)c3)ccc2[C@H]1c1c(F)cccc1Cl 606422493 XARPIQVLKKRVHG-HXUWFJFHSA-N 489.717 6.223 50 40 JKGB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC(=O)c4ccc(Cl)cc4)cc2)C(C#N)=C(N)O3)cc1 985605 BKILZQVUSVMIPR-QFIPXVFZSA-N 482.927 5.476 50 40 JKGB N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 1095481 IASQBQWWLZAXDR-OKCVXOCRSA-N 490.475 5.709 50 40 JKGB Cc1ccc(N2C(=O)[C@H](Cc3ccc(Cl)cc3)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 1887984 GESKCNIVNAMZBF-YDYXIROLSA-N 473.985 5.713 50 40 JKGB C=CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\NC(=O)c1ccc(Br)cc1 1993966 MVZIQIWAQLFCKG-GFMRDNFCSA-N 462.800 5.373 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 3177668 ROWLQJWMJOGENY-RUZDIDTESA-N 481.941 5.331 50 40 JKGB Cc1ccc(OCCOc2ccc(Br)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1 4196615 ZYRVDMFADGQGRA-XSFVSMFZSA-N 479.330 6.188 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc2ccccc12 8438234 ACXYRMQWMRCKJR-NDEPHWFRSA-N 494.591 6.268 50 40 JKGB CC[C@H](C)c1ccccc1OCCn1c(C)c(/C=N/NC(=O)c2ccncc2)c2ccccc21 8916951 XUVGOPNAISJYQJ-MXEPNMHZSA-N 454.574 5.701 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 28213907 UDXHQQKTZPCDLN-LGJNPRDNSA-N 488.396 5.253 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(Br)cc1OC 59116628 GIAXICDFJWFYDM-RIYZIHGNSA-N 486.391 5.214 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccccc1Cl 59117232 HOSMPXZYXKRRRV-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59248330 UCVXTVYFNSHNDP-NVNXTCNLSA-N 488.758 6.298 50 40 JKGB O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 83309480 BEPZUSBZECPSCY-KALUYTGESA-N 470.234 5.361 50 40 JKGB O=[N+]([O-])c1c(Cl)nc2ccccc2c1N=P(c1ccccc1)(c1ccccc1)c1ccccc1 95682026 IBMWPENGWKZCNN-UHFFFAOYSA-N 483.895 6.606 50 40 JKGB Cc1ccccc1P(c1ccccc1C)[C@@H](C)[c-]1cccc1P(c1ccco1)c1ccco1 206533226 BTGDPDVIIYXMBT-QHCPKHFHSA-N 469.481 6.160 50 40 JKGB CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc21 208454395 QGGOJKLZCFCGKE-ZDLGFXPLSA-N 450.380 5.935 50 40 JKGB C[C@H]1CC(C)(C)N(Cc2ccccc2)c2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc21 226073680 KWNIYDVNWWUOLZ-UZTOHYMASA-N 481.640 6.430 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccccc1Cl 408570173 SLAPLLHCLKXIMV-MFOYZWKCSA-N 482.342 7.051 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4c(Cl)cccc4Cl)cc3)CC2=O)cc1C 408602384 DGUYRALKVDYBKG-SFHVURJKSA-N 498.410 5.685 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc3ccccc23)c1 408764182 QJSWGJBSBWSKOY-HZHRSRAPSA-N 497.392 7.035 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc4ccccc4c3)c2)cc1 408764523 UJUSVKVLGZSNRX-HZHRSRAPSA-N 468.534 5.462 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCc1ccccc1 408798278 VQAGSRRAUZBXGY-WOJGMQOQSA-N 497.776 6.236 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1cccc2ccccc12 408799272 YNOSQCXHVMZEFL-YZSQISJMSA-N 476.576 6.980 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)NCCc1ccccc1 408800099 KLFCEVGHIQVCLF-CJLVFECKSA-N 461.359 5.294 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(C)c(C)c1 408801939 WWZHQOVMRRNZJR-WSDLNYQXSA-N 460.961 6.399 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1ccc(Br)cc1 408883931 VHISDIMOWRDMEE-SFQUDFHCSA-N 481.733 5.867 50 40 JKGB COc1c(Br)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Br 408965949 XYBKALMTZJNNRS-GZIVZEMBSA-N 480.078 5.003 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1 408982067 XLQLGBYELKGHPI-RAQUAXEKSA-N 474.344 5.581 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(Br)c1)c1ccc(Cl)cc1Cl 409001803 KQEWOVKBJOMQFF-BRJLIKDPSA-N 491.172 5.772 50 40 JKGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1 409131501 JOZQRCSJWKRAJA-DFVFNMDZSA-N 454.595 6.358 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1C#N 409245431 SWIGSONXGJANFA-HTAGGTJDSA-N 485.971 5.974 50 40 JKGB Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)NC3=C2C(=O)CCC3)cc1 729011 NQTAFSYGNILFMH-HSZRJFAPSA-N 463.990 5.449 50 40 JKGB O=C1c2ccccc2-c2c(Br)cc(Br)c(NC(=O)C(Cl)Cl)c21 1710703 ICSCBWYHIACCFX-UHFFFAOYSA-N 463.940 5.165 50 40 JKGB CCc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 2281126 NYEKBEZRFAUKHZ-VBKFSLOCSA-N 478.371 6.218 50 40 JKGB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1/C=N/NC(=O)Cc1c[nH]c2ccccc12 3433004 VAKKEUDXIDAFHP-KKMKTNMSSA-N 454.361 5.029 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H](Cc2ccccc2C)c2ccccc2)cc(Br)c1O 8861180 QNUOIXMHLMMGFT-WTFDWONZSA-N 481.390 5.338 50 40 JKGB COc1ccc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1OCc1ccccc1 12250095 QRBCBJGYXSLCPH-LPYMAVHISA-N 492.556 6.568 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1F 15230898 UJVMEAHBNJUKCR-PGMHBOJBSA-N 494.595 7.531 50 40 JKGB Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1Cl 15981125 IFXMLPFONRRBPV-NBVRZTHBSA-N 480.399 6.024 50 40 JKGB CC1(C)[C@@H](c2nc3ccccc3[nH]2)CC[C@@]1(C)C(=O)N/N=C/c1ccc(Br)cc1 16740804 KOYLXBQSRCOEFD-SXRSNHDLSA-N 453.384 5.386 50 40 JKGB C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 19950160 VQAGISUEKHXFHI-TURZUDJPSA-N 498.048 5.373 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(OCC)c1OCc1ccc(C)cc1 33743895 TTYYDYHDMZWLQY-XYGWBWBKSA-N 463.581 6.950 50 40 JKGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 33749907 VRIXYDSOWQLKGN-LGJNPRDNSA-N 456.329 5.295 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1Cl 59117073 RONHQBWTFBXQRM-WQRHYEAKSA-N 453.325 6.127 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 59117471 RFPZBVRBDLQJHT-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(C(C)(C)C)cc1 108021163 BWVDGYIYSPQUQQ-JFLMPSFJSA-N 474.586 6.278 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]12 250821300 SHGQHJXEYIXIDA-GEIIOTBESA-N 467.572 6.307 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(C(C)C)cc1 408567292 CVPDMDLVGYKYSJ-LQKURTRISA-N 493.698 6.225 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1F 408579587 IFPKEVQBLXQYQC-VCHYOVAHSA-N 472.741 6.893 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)c3ccc(Br)cc3)cc2Cl)cc1 408580068 MVPUQJSJORVBPZ-LDADJPATSA-N 488.790 6.243 50 40 JKGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OCC 408758306 IPENYZXSBKFXTR-ZSOIEALJSA-N 494.183 5.555 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccc(Br)cc1 408777926 MFDRPNHRFNKMMN-MFOYZWKCSA-N 477.786 5.512 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccc2n1Cc1ccc(Br)cc1 408805011 IKSXTEDNYCMCNO-LKZQPVPRSA-N 498.424 6.545 50 40 JKGB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 408818028 OSCAMLHDDOHPCI-XXNUFMJZSA-N 458.989 6.674 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1Cc1cc(C)cc(C)c1 408882760 NWHIPBRCDRWPJY-ZVHZXABRSA-N 473.016 7.054 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccccc1-n1cccc1 408887160 OMNMUBQBTMMMOA-LQKURTRISA-N 464.352 6.127 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)cc2)cc1 408891320 ONSOLGWGHCAPIK-XSFVSMFZSA-N 491.341 5.360 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1cccc(F)c1 408903858 ALKWJOAPBSKTML-VYYCAZPPSA-N 477.448 5.222 50 40 JKGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1 408979788 ONNQKQBXZZCSBP-ZBCBXWAGSA-N 477.564 5.277 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3cccc(-n4c(C)ccc4C)c3)c2)cc1C 409014423 PPBDAWCGJYWJSR-FDAWAROLSA-N 494.595 5.492 50 40 JKGB O=C(O)c1ccccc1-c1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)o1 409035559 JHRHDZGTSPALNT-RHANQZHGSA-N 461.477 5.624 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)c1 409049841 YACNGMCCLZFTCH-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OS(=O)(=O)c1ccccc1 409063872 FAZHCFBAAVHJFV-XDHOZWIPSA-N 496.972 5.279 50 40 JKGB N#C/C(=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)C(=O)NCCCc1ccccc1 409221305 OFDJIQWKPPJNEF-XLNRJJMWSA-N 480.543 5.075 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 409229297 MUUWMDCOCZJEKP-QNGOZBTKSA-N 452.385 6.057 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCc1ccc(Cl)cc1Cl 409378985 TYRSVVKWAPIUIK-GIJQJNRQSA-N 456.329 5.642 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(=O)NCc3ccco3)c3ccccc23)cc1Cl 883518 BXYZDKLLZQQQDH-WOJGMQOQSA-N 472.932 5.058 50 40 JKGB O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 3275060 KGUDUSSXWPUEPN-WPWMEQJKSA-N 466.006 5.233 50 40 JKGB COc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccccc3C)=C(C)N2)cc1 9109157 XXKGEWQTENSDBD-SANMLTNESA-N 499.592 5.547 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(SC)c2)ccc1OCc1ccccc1C#N 9305444 AQZSSAHOCQISCP-LPYMAVHISA-N 469.566 5.804 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccs3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 9763757 SWKUCSYOGSHGIQ-YUMHPJSZSA-N 489.670 5.844 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(I)cc2)c(C)n1-c1cccc(Cl)c1 10118544 GCQYJPGOCYWLAW-FSJBWODESA-N 477.733 5.116 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccccc2)N1 12250849 DQBMHZNAABODBC-SANMLTNESA-N 498.583 5.532 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc([C@H]3C[C@@H]3c3ccccc3)o2)sc2c1CCCC2 12273881 JRDZYPFABDSMFB-YKHCBAFFSA-N 486.593 6.213 50 40 JKGB COc1cc(-c2cc(C(=O)NN=C3CCC(C(C)(C)C)CC3)c3ccccc3n2)cc(OC)c1OC 12499433 MBRWTYNOQFBFNG-UHFFFAOYSA-N 489.616 6.250 50 40 JKGB COc1cccc(OCCOc2c(Cl)cc(Cl)cc2/C=N/NC(=O)c2cccc(Cl)c2)c1 13943043 RADYITSHZZTBEC-MZJWZYIUSA-N 493.774 5.877 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2cccc(Cl)c2C)cc1 20207060 CZXCSXGYTNDXLB-UHFFFAOYSA-N 476.042 5.369 50 40 JKGB O=C(CSCc1cccc(Br)c1)N/N=C/c1c2ccccc2cc2ccccc12 20248074 JPGIVHMARRAEJO-VULFUBBASA-N 463.400 6.139 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 28216731 PHFCQGANDKRSKY-ROCQKPIASA-N 460.430 6.173 50 40 JKGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 33428911 QRLUSTYTEIVETP-WKIKZPBSSA-N 481.339 5.597 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(F)cc1 33743100 PZWIHPXDGAFCPL-PDGQHHTCSA-N 493.922 5.441 50 40 JKGB N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 33900304 UFRNXXFOKVJCJV-JSIHEXFSSA-N 461.493 5.030 50 40 JKGB CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 33921974 HPIFGKQRASOUIK-JLUQKLKGSA-N 474.988 6.111 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 35105102 ARKXHNGEISIKDD-ODLFYWEKSA-N 488.931 6.475 50 40 JKGB O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 35224961 LDLOLDOGKYYFQX-WSDLNYQXSA-N 469.320 5.127 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OC 59254947 NBJSZDJXGIQNSB-GZTJUZNOSA-N 451.320 5.555 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(F)cc1 59921788 FKYSTAPYVDLXKC-UVHMKAGCSA-N 461.320 5.874 50 40 JKGB c1ccc([PH](c2ccccc2)(c2ccccc2)C2c3ccccc3CCc3ccccc32)cc1 104121184 PQYLPYQHEKIPMS-UHFFFAOYSA-N 456.569 6.601 50 40 JKGB CC(C)(C)[Si](C)(C)O[C@H]1Cc2ccccc2[C@@H]1NP(=O)(c1ccccc1)c1ccccc1 195753625 PQXOAQCUIRVWCB-UIOOFZCWSA-N 463.634 6.193 50 40 JKGB COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccc(C)cc3)n2)c1 408724177 HBEWZVMWRCRAPI-ZCTHSVRISA-N 490.563 5.782 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C 408744127 JFMACNOAKWZGCM-NTFVMDSBSA-N 489.663 7.416 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2)c1 408765519 LRGCCRLGRUPDFH-DEDYPNTBSA-N 477.358 5.972 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)c3nc4ccccc4[nH]3)c2C)sc2c1CCCC2 408767472 KUWKSPYPULLSEG-AQTBWJFISA-N 456.571 5.762 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1F 408790520 PWKCKXDYLCUYOW-GIJQJNRQSA-N 485.342 6.574 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)c1 408798235 VKWGXFIYSQGQHN-VCHYOVAHSA-N 453.325 6.132 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OC(C)C 408800289 LNVYOKUPDKZHFA-VGOFMYFVSA-N 453.753 6.378 50 40 JKGB Cc1ccc(NC(=O)N/N=C/c2cc(C)c(OCc3ccc(Br)cc3)c(C)c2)cc1 408849988 CKFYXDHWKWQMHX-VULFUBBASA-N 466.379 6.109 50 40 JKGB CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1c(C)ccc2ccccc12 408869062 QXRHXCVUXUZLKL-VCHYOVAHSA-N 465.347 5.281 50 40 JKGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 408876276 KMNPWQZWORRHRC-WEMUVCOSSA-N 482.628 5.254 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 408882642 RMMDFAJCVMRZNA-SFQUDFHCSA-N 470.909 5.101 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c([N+](=O)[O-])c1 408888122 XAQMLQUSCANSKH-WOJGMQOQSA-N 493.903 5.390 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1 408888631 YDBZWRKXHAQBHR-CPNJWEJPSA-N 466.946 5.270 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408937770 OQGXQFBTWIFWNH-YVLHZVERSA-N 468.296 6.026 50 40 JKGB O=C(O)c1ccc(COc2ccc3ccccc3c2/C=N\NC(=O)c2cc3ccccc3o2)cc1 408953436 WJKUKFGBNARRLF-MWLSYYOVSA-N 464.477 5.627 50 40 JKGB Cc1c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408966522 OZDWCVNIJPFIED-MZJWZYIUSA-N 497.467 5.325 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 408980251 QDKVIIJXDJMBDP-PXMCARDJSA-N 484.350 5.037 50 40 JKGB N#C/C(=C\c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 408992999 ULKAWBUSBPDZSZ-LDADJPATSA-N 486.940 6.493 50 40 JKGB O=C(N/N=C\c1ccc(OCc2cccc3ccccc23)cc1)c1cc2cc(Cl)ccc2o1 409021869 CQTUSTRMCVBELV-MWLSYYOVSA-N 454.913 6.582 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)c(C)c1 409041935 LDEVLYZOGYTHOB-VXLYETTFSA-N 485.798 7.388 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NCCCc1ccccc1 409229005 IIPIDHKCQUFBKE-JCMHNJIXSA-N 465.380 6.228 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3cccc4ccccc34)c2)cc1OCC 409310010 PBGQDHUYMZMJNP-GTWSWNCMSA-N 482.580 6.370 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)c1cccc(F)c1 409391911 KGHBNBWZBIRJRM-UNOMPAQXSA-N 455.270 6.073 50 40 JKGB CCCCOc1ccc(/C=N/NC(=O)[C@H](CC)Oc2ccc3ccccc3c2Br)cc1 2166044 YDAOAPRCXKLQBM-XDQFAZSOSA-N 483.406 6.089 50 40 JKGB O=C(O)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 6445819 PFNDLHUUVRPUCP-PWVUHJLOSA-N 498.963 6.471 50 40 JKGB O=C(N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccccc1O 8386983 CKQCZHLUQPRLIP-QNBFMKIVSA-N 460.537 5.512 50 40 JKGB O=C(/C=C/c1ccco1)Oc1cccc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1 8396592 BIFKWSHXIGAWCG-JNMUYKMGSA-N 476.532 5.355 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc(Cl)c1OCc1ccc(C)cc1 12556008 UFFNSOSBKRNVTE-WSDLNYQXSA-N 460.961 6.399 50 40 JKGB CCCN(CCC)c1ccc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc1 13880664 DZBFYOOCDYXUNP-SHNNYLTCSA-N 474.630 5.296 50 40 JKGB COc1ccccc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(=O)(=O)c1ccccc1 16228455 WJFMCKQCMYRFPN-UHFFFAOYSA-N 499.677 5.667 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)n1-c1ccc(F)cc1 28216866 WTHCPFGNTPAYIL-KCSSXMTESA-N 480.587 5.555 50 40 JKGB CCOc1cc(Br)c(/C=N\NC(=O)CSc2cccc3ccccc23)cc1OC 36007519 QASPLMMXINORJC-CFRMEGHHSA-N 473.392 5.252 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)c(C)n1-c1cc(Cl)ccc1Cl 58912838 NVZCVRKSUUSMMY-UVHMKAGCSA-N 471.388 5.613 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(Br)c2)c1 59432909 FZCOZOKHKRUPGT-AWNIVKPZSA-N 450.130 5.080 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 59435231 AVHJEBDDXDJQQY-RPPGKUMJSA-N 479.816 6.468 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3ccc(F)cc3)Nc3c(F)cccc3[C@@H]2[C@H]1Cl 102713076 VMVWNRGZUWPWQV-BLCPMEANSA-N 472.944 6.912 50 40 JKGB CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)Cl)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@@]1(Cl)C(=O)OC(=O)[C@]31Cl 104116297 FDMRWYBACKCPHA-JXXJTQHHSA-N 487.851 5.615 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(C)cc1 107704846 CTDAZDQZFIECGJ-JMIUGGIZSA-N 479.330 6.318 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)ccc1OCc1ccccc1 206078823 RLMZJRORIGEIPN-CPNJWEJPSA-N 463.331 5.582 50 40 JKGB Cc1c(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c2ccccc2n1Cc1ccc(F)cc1 408527417 FRCWDVRXOXMZBN-HIWRWHBISA-N 482.481 5.718 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(Br)c1OCc1ccccc1 408599573 WOWIMOTTXQRYNA-JAIQZWGSSA-N 468.778 7.144 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2-c2ccc3ccccc3c2)cc1 408725076 NYOARZQRXIAUPL-RDRPBHBLSA-N 475.508 5.673 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)OC)c(Cl)c3)o2)c1 408745992 PVMOOGWWFUQPNS-WJDWOHSUSA-N 450.878 5.331 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 408758322 IVYKSPNUWQYLEX-UNOMPAQXSA-N 467.352 6.517 50 40 JKGB N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1cccc(Br)c1 408762673 KTKGQPHDCQOMIC-JCMHNJIXSA-N 483.365 6.727 50 40 JKGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Cl 408766178 PNDRHVXMYDYUGL-QPEQYQDCSA-N 452.135 5.866 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)c1C 408794109 RKRDCRBREBPQOF-WSDLNYQXSA-N 486.369 6.062 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OC(C)C 408800601 QCUNAMQMXBYHSM-CXUHLZMHSA-N 477.786 6.143 50 40 JKGB CC[C@H](C)NC(=O)/C(C#N)=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12 408805757 HLKSIAUKWAGLPU-TYSUYXETSA-N 463.375 6.003 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 408816116 IVAROATYTQNCGH-NDENLUEZSA-N 464.363 5.089 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)c(Cl)c2)cc1 408871715 ZLBYTDREKKHKRN-ZVHZXABRSA-N 472.972 6.270 50 40 JKGB Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 408886847 MOUTYAGYCZFFNI-LDADJPATSA-N 461.861 5.322 50 40 JKGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c1C 408915806 ZEAHHWSMIUMBND-LQNQUEJISA-N 481.552 5.297 50 40 JKGB CC[C@@H](C)Oc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Cl 408934016 CFUIPOCLLASGMY-XOKSAUCDSA-N 486.015 7.047 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2 409002325 TVNPXHVRMHBTPH-WKIKZPBSSA-N 466.994 5.089 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 409049466 WZMNOPAKLFERFH-CXUHLZMHSA-N 465.296 6.421 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)c(C)n1-c1cccc(C(F)(F)F)c1 409063063 GHWAJYVPGDWRBA-KBKYJPHKSA-N 480.284 5.345 50 40 JKGB Cc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409110385 VORVCUATQASNCK-UHFFFAOYSA-N 476.042 5.369 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCc1cccc(F)c1 409128267 IUCJQUJAQOGYAC-HSZRJFAPSA-N 481.955 5.187 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1C#N 409189400 KPADBPGOZJAPDN-UVHMKAGCSA-N 498.764 5.326 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 409213574 PVTCATIRQALOKL-JFLMPSFJSA-N 469.006 5.869 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1 409216984 MVUFUYFEBFQESU-HMAPJEAMSA-N 485.337 7.154 50 40 JKGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccccc1O 409222310 CDVHNVXBDILLHQ-GATIEOLUSA-N 463.704 5.336 50 40 JKGB Cc1ccc(C)c(OCCn2cc(/C=C(\C#N)C(=O)N3CCc4ccccc4C3)c3ccccc32)c1 1084441 UJRJYHZVRAYICR-NLRVBDNBSA-N 475.592 5.829 50 40 JKGB biogenic,in-vitro N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2671155 YRZXKBKJRXJCMS-UKTHLTGXSA-N 495.682 6.927 50 40 JKGB COc1ccc(/C(C)=N/NC(=O)c2ccc(CSc3cccc4cccnc34)cc2)cc1OC 8672536 XUTJXPVCVCZSOB-RDRPBHBLSA-N 471.582 5.698 50 40 JKGB CC(=O)c1ccc(NC(=S)NNC(=O)c2ccc(COc3ccc(Cl)c(C)c3)cc2)cc1 9283123 SZEMNEHFLSHOIN-UHFFFAOYSA-N 467.978 5.061 50 40 JKGB N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@@H]1c1ccc(OCc2ccccc2)cc1 9693586 AYSNAZRRTKRVGQ-XMMPIXPASA-N 471.557 5.624 50 40 JKGB CC1=C(C(=O)Nc2c(C)cccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1 12250161 YEOAHUBMXRDFDS-RUZDIDTESA-N 498.608 5.603 50 40 JKGB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NN=C2CCC(C(C)(C)C)CC2)cc1 12496812 MIEKVHUWVYZVKM-UHFFFAOYSA-N 471.623 5.208 50 40 JKGB CCCC[C@H](Br)C(=O)Nc1nc2ccc(OCc3ccc(F)cc3)cc2s1 20133042 HCJVAKNJQYMHSS-INIZCTEOSA-N 451.361 5.907 50 40 JKGB C/C(=N\NC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 20158076 JLZPBUHOFZPQFS-FMFFXOCNSA-N 485.672 6.683 50 40 JKGB C/C(=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1C)c1ccc(NC(=O)C2CCCCC2)cc1 22562294 WGIAUKHWYMWUSI-PAEATJNBSA-N 455.986 5.475 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 59233051 NSZPIHRYDBBBCE-WOJGMQOQSA-N 471.771 7.080 50 40 JKGB CSc1ncnc(Nc2ccc(C)cc2)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 102579771 KHWASCUTGHYAHP-UHFFFAOYSA-N 492.608 5.870 50 40 JKGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N=C2CCCC(O)=C21 102858438 DHXCMSNCPMZTRB-RUZDIDTESA-N 473.598 6.035 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1 107868486 FFTXVQQPNNRKSC-FSGOGVSDSA-N 470.956 5.305 50 40 JKGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 107954959 QBKWXFCYZRKDMV-STKMKYKTSA-N 498.586 6.534 50 40 JKGB Cc1ccc(NCC(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 408528352 HJVLMPYNOSXSJO-VFLNYLIXSA-N 465.384 5.867 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)cc2Cl)cc1 408545073 YYDBDFCOTCYOGK-OCKHKDLRSA-N 481.335 6.125 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OC(C)C 408555020 UZCHKDHFNBUXSR-CXUHLZMHSA-N 469.994 5.884 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408569771 PWBNLBNUJXLDLM-MFOYZWKCSA-N 492.894 6.305 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)c1ccc(Cl)cc1Cl 408580958 SPENEQXYDZLNMC-CXUHLZMHSA-N 493.615 8.052 50 40 JKGB CC(=O)Oc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)cc1 408751838 CSBOJGSKYKPWOO-UNOMPAQXSA-N 478.346 5.328 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12 408765873 RDVJEORFWGPIKK-XMHGGMMESA-N 468.944 5.788 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(Cl)cc2)c2ccc(C(C)C)cc2)cc1 408780979 PCIWJYZZVSKOES-JVWAILMASA-N 484.021 5.117 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc(OC)c1OC 408849157 VHKAOEURSHBHGZ-MIXAMLLLSA-N 469.541 5.242 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(Cl)c2)c(OC)c1 408873840 XHLAYVWBIYPRKZ-WSDLNYQXSA-N 476.960 5.468 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 408892166 BOKJGOISEVMOHG-UVHMKAGCSA-N 473.356 5.662 50 40 JKGB C=CCOc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1 409032338 IRXQZGRPBWKWBI-OGLMXYFKSA-N 468.582 6.191 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc2ccccc2c1 409139502 BDAGVBUUKCDCMY-HHHXNRCGSA-N 466.537 5.632 50 40 JKGB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1I 409236112 RCDQDEDBYBKFCW-JYRVWZFOSA-N 486.231 5.254 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 409255529 LSWOBBIRWKMUDA-DEDYPNTBSA-N 473.504 5.014 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1OC 409325196 XPMDORNDWDUCEX-MBTHVWNTSA-N 485.367 5.910 50 40 JKGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 409365203 QGJWPNUVLPNKFP-KKMKTNMSSA-N 462.764 5.788 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccc(I)cc1 409368893 ROZODWIQMCAVTA-UNOMPAQXSA-N 482.277 5.843 50 40 JKGB N#C/C(=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cccc(F)c1 409394139 WGIBSSCBBTWUGE-NVMNQCDNSA-N 487.166 6.994 50 40 JKGB O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1cc2cc(Br)ccc2o1 1106745 XAOLUGSOPSMAIK-BHGWPJFGSA-N 481.262 5.055 50 40 JKGB CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H](c1ccco1)P(=O)(c1ccccc1)c1ccccc1 1735421 HCNDRIKLGHLQCE-RUZDIDTESA-N 484.319 6.371 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)sc2c1CCCC2 2199668 VBQSGFMXFMNNRI-QINSGFPZSA-N 480.571 5.812 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3C)N(c3ccccc3)C2=O)cc1 2284434 USIGMUACXOJNFX-OGCOBRASSA-N 453.567 5.368 50 40 JKGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)c(C)c2)NC2=C1C(=O)CCC2 2312553 WDNFVRKOIBDGSJ-SANMLTNESA-N 487.625 5.503 50 40 JKGB C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 2553455 WQQOZAWIEHFUBB-LICLKQGHSA-N 470.381 6.151 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4Cl)c32)ccc1OC1CCCC1 8382654 GEDXVNOXCUJLOC-OAQYLSRUSA-N 462.937 5.278 50 40 JKGB COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)c1nc2ccccc2s1 9281556 XGNUAVJISWKFNG-JQIJEIRASA-N 452.495 5.169 50 40 JKGB C/C(=N\NC(=O)c1ccc(C(=O)N/N=C(\C)c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1 20158865 XIFUCMWXSKOHBE-WXGDAXOSSA-N 498.586 6.301 50 40 JKGB N#CC1=C2SCN(Cc3ccco3)CN2C(=O)C[C@H]1c1ccc(OCc2ccccc2)cc1 20533202 VSZIQDDCVSISRD-QHCPKHFHSA-N 457.555 5.074 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1 33569173 IQHYEQYBCBEHSP-ODLFYWEKSA-N 465.303 6.009 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 35315685 NSZVJVOBNXNBHV-IWIPYMOSSA-N 467.500 6.785 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1C 59202179 BZVAXVLIHUXCTG-UDWIEESQSA-N 474.391 7.159 50 40 JKGB C/C(=N\NC(=O)CSCc1cccc(Cl)c1)c1ccc(NC(=O)c2ccccc2)cc1 59473038 TXMWTWCKUYYKAE-WPWMEQJKSA-N 451.979 5.366 50 40 JKGB COc1ccc(/N=N\C(=N\NC(=O)c2ccccc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 104315742 YCACDEIXRLGQNS-FUJDESFPSA-N 493.571 5.513 50 40 JKGB CC(C)N1c2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2[C@@H](C)CC1(C)C 223563914 GXCSJYSURZEFLX-FVHJOOJJSA-N 454.618 5.934 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1cccc(C(=O)O)c1 408541164 FCCXYZSNWUFCGC-NHDPSOOVSA-N 477.900 5.778 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)cc1OC 408582715 PKEPNGCQMQYOJV-LDADJPATSA-N 455.919 5.189 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccccc1C#N 408794484 JGOOHAOFIZMKBS-WSDLNYQXSA-N 471.944 6.043 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl 408806251 ILYKUHPHRAUPBN-MHWRWJLKSA-N 492.189 7.425 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccccc4[N+](=O)[O-])cc3)cs2)cc1 408843786 NTLTZSFTMRVZAU-AFUMVMLFSA-N 457.515 5.534 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1cc2cc(Br)ccc2o1 408850086 FMQWGOILCVSOIG-VROXFSQNSA-N 487.693 5.571 50 40 JKGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)cc2)CC1 408860414 VDLVGUHANISDPM-STBIYBPSSA-N 497.426 5.088 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 408870319 WEYZSJDJLPBUDM-LPYMAVHISA-N 460.961 6.344 50 40 JKGB CCCCOc1c(Br)cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OC 408971402 NWPZSMOYKWISKJ-ZMOGYAJESA-N 475.339 5.155 50 40 JKGB CCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1OCC 409007369 OFZDMQCBBCVTGQ-UUYOSTAYSA-N 484.188 5.163 50 40 JKGB C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 409048742 SZSCQQXYBJYXIX-OQLLNIDSSA-N 476.168 5.631 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1OCc1ccccc1Cl 409070139 NBGIKZIJDWJRLQ-KGENOOAVSA-N 474.944 5.907 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1ccccc1Cl 409189740 SDWXFUIMFHYWDP-YVLHZVERSA-N 489.797 5.656 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409238448 DFRUCULYTOCNCS-ULJHMMPZSA-N 485.540 5.228 50 40 JKGB CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)cc(Cl)c3)=C2C#N)cc1 409320947 DMYNYWFXBVWWPJ-SFHVURJKSA-N 476.385 5.103 50 40 JKGB N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 1790096 DUTBBNPJXUJFSB-JSIHEXFSSA-N 477.948 5.544 50 40 JKGB CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc(C(C)(C)C)c1O 3254418 RNNPLJJAAIMPGY-LFIBNONCSA-N 455.396 6.295 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3c(s2)CC[C@@H](C)C3)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 3389403 CKQXKGCTZDCLRV-PSPWXJSPSA-N 493.982 6.717 50 40 JKGB CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1OC 9292167 IAKCSTNKQMNXMZ-GOSISDBHSA-N 457.317 5.009 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1cccc(O)c1 13552833 YSRDHRIMDADZKW-BUVRLJJBSA-N 480.640 5.322 50 40 JKGB CCO[C@@H]1Oc2ccc([N+](=O)[O-])cc2C(=O)/C1=C\Nc1nc2cc(C)c(SC#N)cc2s1 16687945 HLVZLORZLIHCGB-CBHXRGPZSA-N 468.516 5.020 50 40 JKGB CCOc1ccc(/C(C)=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 20240637 QJIYLJDFTYMKPO-UQRQXUALSA-N 469.629 5.694 50 40 JKGB Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 20348097 NYFMPDGNIDLECG-QHCPKHFHSA-N 498.435 6.103 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 20763827 CRAXCCBATLWIJE-VULFUBBASA-N 487.781 5.844 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccncc2)cc(Br)c1OCc1ccccc1Cl 32138837 MEJHEKVQSXRLON-ZMFRSBBQSA-N 488.769 5.239 50 40 JKGB COc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2OC)cc1 33438211 ZLEBPXGNXGCSPW-WOJGMQOQSA-N 493.903 5.347 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccccc1 33445891 KAJYELAHSRHZOQ-NDENLUEZSA-N 488.385 6.676 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc2c(c1)OCO2 59335581 BTSRELVDHLTPPA-JMIUGGIZSA-N 490.943 5.901 50 40 JKGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 59474993 LVEUAKORBJYXSY-YVLHZVERSA-N 488.325 5.027 50 40 JKGB CCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103527888 UEVFHBGQGJQHEG-YFKPBYRVSA-N 466.072 6.084 50 40 JKGB C[C@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)/C(C#N)=C1/Nc2ccccc2S1 104815682 HOOSTRWUNPNIPD-WMEZLHQCSA-N 489.072 6.319 50 40 JKGB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@@]21C 118915918 XDHSPKUJYNEBHS-MVLKMTHUSA-N 481.471 5.308 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1OC 408582400 NTWYKTKRHQTDSA-XDHOZWIPSA-N 469.946 5.498 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 408746328 RUBYIKAPOMRMIT-MOSHPQCFSA-N 477.358 5.891 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cccc(I)c1 408766796 RXOKNLYLYLZNDY-GXDHUFHOSA-N 474.685 5.750 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(F)cc1 408771788 JARGRPKYPZKQQO-UNOMPAQXSA-N 495.348 6.112 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1 408799381 YXHDDFUIEAFIPP-NYYWCZLTSA-N 470.548 5.425 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl 408805952 CYGNIOQAJZBEKC-KGENOOAVSA-N 468.940 6.632 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC 408807030 CNSIJHGCATZKHS-HAVVHWLPSA-N 456.542 5.999 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)c(OC)c1 408866775 IWCFQHYHEXRYIH-CIAFOILYSA-N 492.959 5.168 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Cc2ccccc2Br)c1 408874294 ZWRFZJYJUROWPE-LPYMAVHISA-N 475.386 6.211 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc4ccccc4c3)c2C)ccc1Br 408904582 LUBJZIPQZLBFCK-DICXZTSXSA-N 475.390 6.474 50 40 JKGB COc1c(Cl)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1Br 408904961 RDEDXORXSIZUTI-ZBKNUEDVSA-N 475.568 5.338 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3Cl)c3ccccc23)cc1Cl 408986068 ZHSWFDQEVWQFSK-UNOMPAQXSA-N 460.364 6.851 50 40 JKGB Cc1cccc(Cn2cc(C=NNC(=O)c3cc(-n4c(C)ccc4C)ccc3Cl)c3ccccc32)c1 408996836 NHMIBWROHRSVEI-UHFFFAOYSA-N 495.026 6.823 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Cl)c1OCc1cccc(F)c1 409097918 NXPAQSITMBHBSS-XMMPIXPASA-N 494.906 5.404 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc2ccccc2c1 409131994 KIICRYXACWLNOR-MUUNZHRXSA-N 464.521 5.741 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)C(=O)NC1CCCC1 409195884 WYTHQLARPFIJLH-SXGWCWSVSA-N 477.761 5.786 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccccc1C 409257192 OUUANKMEJGLQGK-MOSHPQCFSA-N 459.933 5.520 50 40 JKGB CCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)[nH]c12 409397561 LFPJBJXOKDPZAI-UHFFFAOYSA-N 477.520 5.973 50 40 JKGB Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 2312462 OIROWCGRMIHWBG-UXHLAJHPSA-N 475.504 5.786 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 2357836 ZBEUEOJQQVFSHO-AUEPDCJTSA-N 468.134 5.545 50 40 JKGB CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 3375333 DRCVWGWSFDFDQG-QNKGDIEWSA-N 485.591 6.087 50 40 JKGB Cc1cc(SCC(=O)N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)c2ccccc2n1 4091510 GJBAVGHIMUPWEI-FDAWAROLSA-N 491.616 6.518 50 40 JKGB O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)C(c1ccccc1)c1ccccc1 8398761 ZGEXQNPNKGYLCG-UHFFFAOYSA-N 457.357 5.132 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)Cc2ccc(Br)cc2)cc1 9204814 XCYFIUFWXHHMAD-STBIYBPSSA-N 487.397 6.183 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1ccc(Cl)c(Cl)c1 9292672 FUQVHVXDJKEDRO-QFIPXVFZSA-N 489.362 6.181 50 40 JKGB Cc1cccc(C[C@@H]2S/C(=C(\C#N)C(=O)c3c[nH]c4ccccc34)N(c3ccccc3)C2=O)c1 11851789 GEKLLKZHXSSATN-RMNOPMHCSA-N 463.562 5.786 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC(=O)c3cccc4ccccc34)c2)cc1 12590871 LADOQEHQVOLOEZ-LTGZKZEYSA-N 478.504 5.622 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1ccccc1Br 20761087 NWFKAEWRCGOIKA-DHRITJCHSA-N 477.318 5.124 50 40 JKGB O=C(CCCCCCCCC(=O)N/N=C/c1ccc2c(c1)CCC2)N/N=C/c1ccc2c(c1)CCC2 25691654 FOUVZCAFPUVDLK-RWRHWQIFSA-N 486.660 5.385 50 40 JKGB COc1cccc(C(=O)N/N=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1 32138833 DHCWYDFFKUZTPP-WKIKZPBSSA-N 452.341 5.769 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 33688992 GLANYGIHDFGQGV-IWIPYMOSSA-N 484.508 6.063 50 40 JKGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 33827336 MDGYLUPNZBTUFQ-RAXLEYEMSA-N 468.365 6.611 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)c3ccc(Br)cc3)c2)cc1C 34794441 WJMNFRNQBPCJOQ-BKUYFWCQSA-N 461.359 6.148 50 40 JKGB COc1cc(/C=N\NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc(Br)c1OC 36245411 UBZDBKMVJINONP-PKJSSPIUSA-N 459.384 5.018 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccccc1 59332932 WAWRNRUFDPGKOY-QQTULTPQSA-N 460.581 5.254 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OCC 206853734 NHKLUBCLGADKGY-BKAYVGFPSA-N 455.352 5.197 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 207149712 OPUZJYOWJSPINY-LDADJPATSA-N 453.325 6.127 50 40 JKGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)cc21 208248617 APACRXPASKHNQP-HIWDBDMKSA-N 468.812 5.898 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4c(Cl)cccc4Cl)c3)CC2=O)cc1 408606030 LASRVXQUYHSKCC-KRWDZBQOSA-N 484.383 5.377 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408735849 YMVXGTFDSDWLNT-UDWIEESQSA-N 491.931 6.080 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 408756781 XFBONKAUFABIHB-GZTJUZNOSA-N 467.308 5.767 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(I)c1 408760628 BYIBTEWULYAZCX-GXDHUFHOSA-N 474.685 5.750 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc4ccccc4c3)cc2)c1 408765074 ZEDLQPBJGDGJFC-PXLXIMEGSA-N 484.533 5.162 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1C 408797352 RIDPUGFSOJOSSG-UDWIEESQSA-N 495.804 6.844 50 40 JKGB N#C/C(=C\c1ccccc1Cc1ccccc1Br)C(=O)Nc1cccc(C(F)(F)F)c1 408871904 ZGQKQQGACHRQSV-CPNJWEJPSA-N 485.303 6.604 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OC(=O)c1ccccc1 408881840 MTFUWVSXWKDRQU-QGOAFFKASA-N 481.335 6.157 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 408887672 QHXMHAJHCLMSAF-LICLKQGHSA-N 458.776 6.908 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1cccc(I)c1 408897548 XVYLEZOLXCUBRU-ZMOGYAJESA-N 490.728 5.288 50 40 JKGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408914286 UJQGWDPNUZZHON-UVHMKAGCSA-N 457.357 5.718 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1cccc([N+](=O)[O-])c1 408961413 CAUNMCIBURXVIC-CCVNUDIWSA-N 487.434 5.355 50 40 JKGB CCOc1c(Br)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Br 408962700 JJXDXTMDZBNGSS-NUGSKGIGSA-N 494.105 5.393 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3C(=O)OC(C)C)o2)c1 409190259 QXVVFYDTIJDTMM-LDADJPATSA-N 462.933 6.328 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(C)c1 409195172 RWLAOOVLYGHRLN-MZJWZYIUSA-N 457.357 6.043 50 40 JKGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1 409224227 JDFTWJVYJYIZAZ-NTFVMDSBSA-N 487.899 5.168 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc(F)c2)cc1OCC 409314878 SXGHRGROHADWLQ-QRQIAZFYSA-N 450.510 5.356 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1OCC 409321367 FZMXIABWBAJFOG-MWLSYYOVSA-N 482.939 5.786 50 40 JKGB CCOc1cc([C@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(Cl)c(Cl)c1 409368777 LXUDRDLTOYZLAE-OAQYLSRUSA-N 490.456 6.314 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1cccc(C(F)(F)F)c1 716000 FRWQPPFGOBETGW-JOCHJYFZSA-N 470.447 5.108 50 40 JKGB N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@H]1c1ccc(F)cc1 2414679 IEBCRUXRLVVAIG-NRFANRHFSA-N 454.555 6.208 50 40 JKGB O=C(NCCSCc1c(Cl)cccc1Cl)[C@H]1Cc2ccccc2[C@H]1C(Cl)Cl 2577710 ODWHGOCRXCLUDO-KBXCAEBGSA-N 463.257 6.103 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1 2682638 YAEOXZNALZZRAW-NDWLXSOOSA-N 452.945 5.977 50 40 JKGB CCN(CC)c1ccc(/C=C2\CCC(/C=C(\C#N)c3nc4ccccc4s3)=C2N2CCOCC2)cc1 3185327 ZTJOUKDDAYRXCL-DJCYKTPPSA-N 496.680 6.513 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccccc2Cl)c(Cl)c1 8438238 NOISPEWQGVVQES-JOCHJYFZSA-N 469.368 6.023 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1CSc1nc2ccccc2o1 8873222 OELDPHWHYDADNR-DHRITJCHSA-N 451.935 5.546 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1 9057343 HDOPSAYHIBQMLL-RVDMUPIBSA-N 452.264 5.471 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1 9259545 ILDDACJFKWWHDF-RMORIDSASA-N 455.750 5.920 50 40 JKGB CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)c1 9454008 UCYBXJXISSALJG-NKFKGCMQSA-N 473.580 6.669 50 40 JKGB O=C1O[C@@H]2[C@H](Br)[C@H]3C[C@@H]2[C@H]1[C@H]3C(=O)Nc1ccc(Oc2cccc3ccccc23)cc1 9581280 ZUSLMGRVOGXUNI-RODBXUTMSA-N 478.342 5.142 50 40 JKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Br)c2OC)cc1 10059542 AZKQQMRITIIJAP-DOQYOOLYSA-N 498.215 5.263 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1O 12555944 YPVZUTDJGUXRGX-CPNJWEJPSA-N 499.910 6.232 50 40 JKGB Cc1cc(/C=N/NC(=O)CCc2ccccc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 14134454 SNBHEVUFTGNDOJ-VUTHCHCSSA-N 466.541 5.752 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)NC(SCCCC#N)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 20348186 ABLFAOAYABABQW-NRFANRHFSA-N 474.542 5.028 50 40 JKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)NCCOc2cc(C)cc(C)c2)cc1OC 27562945 BBISIADYPJJDFT-HAVVHWLPSA-N 450.579 5.373 50 40 JKGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 33415198 IHUAOJNRAGFYOA-ZRGSRPPYSA-N 476.291 5.313 50 40 JKGB CN(NC(=O)[C@H]1C[C@H](c2ccccc2)N(c2ccccc2)O1)c1ncc(C(F)(F)F)cc1Cl 35352159 QFOKLZMNDZWBGK-WOJBJXKFSA-N 476.886 5.173 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1Cl 40846868 LTEQCLMHQJHECL-DHRITJCHSA-N 473.754 5.454 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 408534512 VUJLSUCBBWVCTP-AMVVHIIESA-N 450.464 5.271 50 40 JKGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1 408569667 PIEODUXSXFCQII-LQKURTRISA-N 489.622 5.145 50 40 JKGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 408612918 XKWQHCSSYMMIPX-MZJWZYIUSA-N 470.356 5.224 50 40 JKGB O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br 408689518 SBGNIKIVFOLWBX-GNWGRXFHSA-N 478.342 5.142 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccc(Br)cc1 408737535 CSQSPJOUJUSYKW-PDGQHHTCSA-N 456.181 6.683 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(N(C)C)cc1 408745872 WBNNVQFAELVUFY-RGEXLXHISA-N 463.379 5.468 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc([N+](=O)[O-])c1 408797738 SSLXNXDMNGKJAJ-YBFXNURJSA-N 488.456 5.026 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)C(=O)Nc1cccc(Br)c1 408810202 JDESZVUZASKDRA-SFQUDFHCSA-N 494.320 5.151 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)c(Cl)c3)c(C)c2)c(C)c1 408851583 LLHXJLWLGXFQBM-WSDLNYQXSA-N 479.407 7.352 50 40 JKGB O=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1)c1ccccc1-n1cccc1 408901057 ZROFEBLELJCFSB-LQKURTRISA-N 464.352 6.127 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1cc(-c2ccccc2)nc2ccccc12 409040977 ZIUWTZOAZMOVNX-FMFFXOCNSA-N 480.571 6.669 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1 409186624 FRWXRFGTSILJBX-YUMHPJSZSA-N 462.958 6.280 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(Br)c2ccccc12 409194334 KCWGVVQNMAGUIQ-ACSPXDACSA-N 478.390 5.212 50 40 JKGB COc1cc(C(=O)N/N=C\c2cccc(OCc3ccc(C)cc3)c2)ccc1OCc1ccccc1 409312744 MDPZRQXWYGTYFB-DXJNIWACSA-N 480.564 5.926 50 40 JKGB CCOc1cc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1c(Cl)cccc1Cl 409373899 VSBBIQSPSBVASY-OAQYLSRUSA-N 474.388 6.149 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cn(CC(=O)NCc2ccco2)c2ccccc12 883523 VBLFMHNDXPZZTM-LDADJPATSA-N 472.932 5.058 50 40 JKGB CC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2C)=C(C#N)[C@H]1c1ccccc1Cl 1097696 KDGKMHPVWXWYKJ-XMMPIXPASA-N 466.006 5.614 50 40 JKGB CCOc1cc(/C=N/c2cc(Cl)c(O)c(Cl)c2)ccc1N(CCCl)CCCl 1705632 TVLGRKWRDDDXTC-WYMPLXKRSA-N 450.193 6.132 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 1767382 RZQLYSLZVRDXBP-SFQUDFHCSA-N 490.928 6.101 50 40 JKGB C=CCOc1ccc([C@@H]2C(C#N)=C(N)N(Nc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1OC 2170045 QTWLTIDRJGUISM-RUZDIDTESA-N 470.573 5.023 50 40 JKGB CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 2339271 VHAGWDIAONPIMR-JVWAILMASA-N 476.005 5.393 50 40 JKGB C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 3083533 ZTIINULQFKVIJT-FRDWBBKPSA-N 460.537 5.610 50 40 JKGB O=C(NN=C1c2ccccc2-c2ccccc21)c1cccc(NN=C2c3ccccc3-c3ccccc32)c1 12563822 AJBNNLVMBDOTGQ-UHFFFAOYSA-N 490.566 6.694 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc(Cl)c(C)c1 13894149 UHGRUVYGCUDCJR-XSFVSMFZSA-N 480.948 5.321 50 40 JKGB Cc1cc(Br)c(OCc2ccc(C(=O)NN=C3CCCCC3)cc2)c(Br)c1 14014071 XFVCQGISAMAFFU-UHFFFAOYSA-N 494.227 6.149 50 40 JKGB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(\C#N)S(=O)(=O)c1ccc(Cl)cc1 14358974 FSCOTDOCXAHNEI-LICLKQGHSA-N 452.750 5.479 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c(C)n1-c1c(C#N)sc2c1CCCC2 15018740 SYAKUVCNEFYKBJ-WCMJOSRZSA-N 492.604 6.569 50 40 JKGB CC(C)(C)c1ccc(Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2[N+](=O)[O-])cc1 15979177 GSIRBKPTRLIXEJ-QGOAFFKASA-N 475.932 6.884 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3c(OCc4ccc(Cl)cc4)ccc4ccccc34)[nH]c2cc1C 33675501 XYMOQAOYMJJJLN-PXLXIMEGSA-N 463.968 7.630 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1cccc2ccccc12 34857705 JOFLOPFSRPWRKI-UXHLAJHPSA-N 481.552 5.540 50 40 JKGB N#CC(=C\c1cn(CCOc2ccccc2)c2ccccc12)/C(O)=N/c1nc2ccccc2s1 41120691 ALIWXUNJFMBKEH-KNTRCKAVSA-N 464.550 6.525 50 40 JKGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 58894688 DLAXKBUUDZAXKK-LYAXJZIPSA-N 455.558 5.052 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1cc(Cl)ccc1Cl 58913303 VRUPYCPJAXDJDW-IPBVOBEMSA-N 497.304 5.509 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(C(C)C)cc1 59104295 VVOGIZCAWCSQQG-XYGWBWBKSA-N 450.586 5.965 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Cl)cc1Cl 59254486 WOJJZJHACSZJOG-DEDYPNTBSA-N 451.353 6.680 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 59255412 PNISXDFGHRLYHK-LDADJPATSA-N 456.851 6.483 50 40 JKGB CCCCCCCCCCCCCCCCCC[C@@H]1C(Cl)=C(Cl)C(=O)C(=O)[C@@H]1Cl 101463448 SGDOMZCMJWILBP-TZIWHRDSSA-N 465.933 8.703 50 40 JKGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2C(C)=CC1(C)C 208517604 GWIQJGYXCYSZQO-ZDLGFXPLSA-N 454.401 6.869 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Cl 408536752 AWXDUWXRJRPAKP-ZHZULCJRSA-N 459.417 7.587 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408549744 YBQLGZFMBSZMDE-MTJSOVHGSA-N 467.437 6.521 50 40 JKGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 408611347 QRGCOPFCMHYDKI-FJEPWZHXSA-N 498.410 5.462 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccccc1Cl 408726538 SNCUVGIOLZWEEO-UYRXBGFRSA-N 467.352 6.517 50 40 JKGB COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)[C@@H](C)Sc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 408751309 CUAKYQREAMMQOY-ITBGWPNZSA-N 497.664 6.543 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1C 408788169 BPHPGDKWOWEJQI-VXLYETTFSA-N 485.798 7.388 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408790668 QOMUESYQVNHPDV-UDWIEESQSA-N 491.931 6.080 50 40 JKGB COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 408792527 KNWJVMMDBFXRJY-WOJGMQOQSA-N 453.325 6.127 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c1 408793607 FVTCGMGMQKXDJC-VXLYETTFSA-N 485.798 7.388 50 40 JKGB N#C/C(=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)Nc1ccccc1F 408855803 FABLKZQVWNWLKT-HMMYKYKNSA-N 467.456 6.012 50 40 JKGB N#Cc1ccccc1COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1 408855809 FMTHVHBODJBYBQ-VYYCAZPPSA-N 474.314 5.410 50 40 JKGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(CSc2ccccc2)cc1 408994068 FLIWJVXCRXIJFU-YZSQISJMSA-N 462.575 5.497 50 40 JKGB Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 408998490 UUYZJYOWTNSTPG-RHANQZHGSA-N 457.961 6.090 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1 409045775 HYUHZTMLQGVGDQ-DEDYPNTBSA-N 477.358 5.929 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C/c3ccc(-c4ccc(Br)cc4)o3)cc2c1 409184277 JZRGWOQPAZUJBV-ZMOGYAJESA-N 453.292 5.618 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1cccc2ccccc12 409249160 JRGSLKVTAMAKFG-STZFKDTASA-N 459.471 6.812 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1OC 409316576 ZOKLBLAHMQQNAZ-QDTIIGTASA-N 491.346 5.883 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccccc2)c(Br)c1)C(c1ccccc1)c1ccccc1 409393413 XAXHEXSCEVFIJS-FSGOGVSDSA-N 499.408 6.310 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)cc1 870819 ZBWUOYVAHZMTNG-HSZRJFAPSA-N 464.949 5.378 50 40 JKGB COc1ccc(/C=C2\SC(=S)N(/C=C(\C#N)C(=O)c3ccc4ccccc4c3)C2=O)cc1OC 1637585 DIJOXUCFKHURBM-MUAXHQNSSA-N 486.574 5.349 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)nnc1-c1ccc(C(C)(C)C)cc1 2336662 YVLKMSRNAZCEST-CCVNUDIWSA-N 489.567 5.524 50 40 JKGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(C(F)(F)F)cc1 2337063 UPLXONUBSBYXBV-RWPZCVJISA-N 481.503 5.196 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 2670740 HBQZQRXZBNZNBG-GZTJUZNOSA-N 490.928 6.101 50 40 JKGB N#CC1=C(N)OC2=C(CCC/C2=C\c2ccccc2Br)[C@@H]1c1ccccc1Br 8783209 SYQZYJOPPGHJHC-NKSQBSFPSA-N 498.218 6.541 50 40 JKGB CCn1c(SCC(=O)N/N=C(/C)c2ccc(Cl)c(Cl)c2)nnc1-c1ccc(C)cc1 9235608 UZIKYWCAFKWUOR-OYKKKHCWSA-N 462.406 5.213 50 40 JKGB COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)c1OC 9428584 MUWPNDWGMWDGGG-JVWAILMASA-N 493.633 5.018 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OCc1ccc(Cl)cc1 12585976 KCGVPHMQYDQHPI-CAOOACKPSA-N 487.770 6.780 50 40 JKGB CC[C@H]1CCc2sc(C(=O)N/N=C/c3ccc(Oc4ccc(F)cc4)c([N+](=O)[O-])c3)cc2C1 13129613 RITHCOJJGZURNU-IXORVSQSSA-N 467.522 5.867 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@H](C)Sc3ccccc3)c2C)c(C)c1 20243741 HPFWUCSJIGEFPI-FOGHPNEFSA-N 484.463 6.104 50 40 JKGB COc1ccc(C(=O)N/N=C/c2c(Br)c(C)n(-c3c(C)cccc3C)c2C)cc1OC 20243869 LBNNLKXWTAFFJE-LGJNPRDNSA-N 484.394 5.255 50 40 JKGB COc1ccc(-c2n[nH]c3c2[C@H](c2cccc(OCc4cccc(C)c4)c2)C(C#N)=C(N)O3)cc1 22573650 MMFAPAKZQWCHJZ-XMMPIXPASA-N 464.525 5.191 50 40 JKGB N#CC1=C(N)N(c2ccc(OC(F)(F)F)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2[nH]ccc2c1 31819801 DMEDGEIVBLGMIA-JOCHJYFZSA-N 464.447 5.371 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(I)cc3)o2)cc1Cl 33615697 RFXSFBZEANRGJC-SSDVNMTOSA-N 464.690 5.277 50 40 JKGB CCCCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(OC)cc1 33671685 GOKVQSBWORSQDK-JXAWBTAJSA-N 457.368 5.962 50 40 JKGB Cc1cc(C)cc(OCCOc2ccc(/C=C(C#N)/C(O)=N/c3nc4ccccc4s3)cc2)c1 41108885 DGWKNKNEIKAIQP-LTGZKZEYSA-N 469.566 6.566 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1cccc(F)c1 59335732 KVNMGWWSSFJESW-IWIPYMOSSA-N 470.544 6.386 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 59484050 CFXIDWKOELCCGD-NDENLUEZSA-N 477.358 5.891 50 40 JKGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccccc2CC)N=C2CCCC(O)=C21 102538523 AVTRPIUPMZJQOY-AREMUKBSSA-N 487.625 6.289 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408581150 GSZILHLCZGKIHT-VXLYETTFSA-N 488.798 7.697 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3)n2)cc1OC 408724410 JWSASHFYEBUMDT-NDZAJKAJSA-N 476.536 5.474 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(OCC)cc3)c2C)cc1 408746482 ZMBNTGCMIOTFFK-JWGURIENSA-N 457.530 5.215 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1cccc2ccccc12)c1ccc(Cl)cc1 408756292 RDJGTJQNQVOOTG-RWPZCVJISA-N 493.788 6.599 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(C)cc1 408758163 HBEZKIBLYAPDCT-HAHDFKILSA-N 487.397 6.611 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1cccc2ccccc12 408766258 SXPXNYYOOIZUPN-NLRVBDNBSA-N 484.555 7.126 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 408791503 YIUZVWLSVYVIKV-YBFXNURJSA-N 494.906 5.399 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1 408793080 CYBSOAKKNNWONR-LPYMAVHISA-N 475.386 6.499 50 40 JKGB Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1C 408815202 PRFOKWYQNXRRKW-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccccc1C#N 408840921 GLTYLYXGKVODAB-QQXSKIMKSA-N 463.537 5.098 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(CSc2ccccc2)cc1 408842003 NFQSYWOSPUKJDU-RWPZCVJISA-N 481.404 7.310 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1Cc1ccccc1Br 408873482 UREIGENXXBNUOZ-DEDYPNTBSA-N 495.804 6.638 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1F)C(=O)Nc1cccc(Cl)c1 408876208 JXRHMIFJSMUKBS-WOJGMQOQSA-N 469.741 6.378 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)ccc1Br 408905551 ZECLPRWTUHVACG-MXAYSNPKSA-N 482.334 5.190 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(Cl)cc2)cc1 408926290 WUZHHJJLPRJEEF-JVWAILMASA-N 478.957 5.333 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)c2C)c1 408965053 GAEHARDZKPWIGJ-MZJWZYIUSA-N 463.921 5.434 50 40 JKGB CCOc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(C)cc2)cc1OCC 409219376 MDPXNNOFABYVMF-NTFVMDSBSA-N 480.948 5.429 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3Cl)c2)cc1OC 409310934 XJPABOGZQCFZPL-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccc(F)cc1 4196379 XWMZYBPHSBXEMH-VCHYOVAHSA-N 456.286 6.379 50 40 JKGB O=C(Nc1ccccc1)NN(C(=O)Nc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 8754349 COSBQWTUKYCDSU-UHFFFAOYSA-N 463.950 6.239 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1F 10130202 UHGRLFZZHRCIEE-PDGQHHTCSA-N 493.922 5.441 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)c(C)c1 13174459 BMMGIQHMUPVDTP-DEOSSOPVSA-N 478.017 5.758 50 40 JKGB N#C/C(=C\c1ccc(OCCCOc2ccccc2)c(Br)c1)C(=O)NCc1ccco1 13881188 USYGLSIHMMQPOK-XMHGGMMESA-N 481.346 5.113 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1Cl 13922465 RGJSIJYUXGMCBZ-KKMKTNMSSA-N 490.774 5.623 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 20197299 BSXLPSBGSGYKDB-WGOQTCKBSA-N 467.363 5.581 50 40 JKGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C(C)=O)=C(C)N1 20347728 ZVSWKGOMWPGADH-XMMPIXPASA-N 466.006 5.559 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccc(C(=O)O)cc1 34704872 DJLCZQYPYGUVEI-OCSSWDANSA-N 498.535 5.288 50 40 JKGB O=C(N/N=C\c1ccc(-c2cccc(Br)c2)o1)C(O)(c1ccccc1)c1ccccc1 35404899 XPXPLJCAWGVSPY-PKAZHMFMSA-N 475.342 5.095 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1O[C@H](C)CC 108928328 LMWYQKXBNXKXIC-LFWZTCNZSA-N 475.954 5.803 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\NC(=O)COc3cccc(Br)c3)cc21 223479616 VQMNWEVYHAVUQF-WGARJPEWSA-N 470.411 5.389 50 40 JKGB Cc1ccc(Sc2ccc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)o2)cc1 408568397 JIBKJBCXMYYJIV-ZVHZXABRSA-N 470.641 5.747 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)ccc1OCc1ccc(Cl)cc1 408720145 UDQYJBAXFRXPTE-NLTKLDOMSA-N 469.006 5.949 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1cccc2ccccc12 408734877 LAFKSVNTQJHHGF-HYARGMPZSA-N 468.940 6.626 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 408788970 GUHJAXRASDZMKH-RQZCQDPDSA-N 471.315 6.266 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408795820 NFQRIPFWHQBBDE-XDHOZWIPSA-N 497.378 6.525 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)cc1 408811156 MCJNLPPOYIVXAP-UUYOSTAYSA-N 476.960 5.468 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1ccccc1F 408818000 OPFYLNLNSNTKCB-SXGWCWSVSA-N 459.279 6.396 50 40 JKGB Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)cc1 408838091 CAQCXGXMZRLQFI-UHFFFAOYSA-N 498.391 5.844 50 40 JKGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 408847869 VNTNNLVNZALRBS-RPPGKUMJSA-N 477.929 5.300 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2Cl)c(C)c1 408865881 FDFHDRCFXOZDOC-FYJGNVAPSA-N 479.805 6.856 50 40 JKGB N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1)C(=O)Nc1cccc2ccccc12 408878563 ANOCESBRZGJQOX-HMMYKYKNSA-N 499.504 5.061 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408892660 BQDOPEKPKDXYML-LGJNPRDNSA-N 488.327 5.643 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1ccccc1 408904669 MVYJCMXPSNACGD-VYYCAZPPSA-N 493.903 5.736 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OC)c1OCc1ccc(C(=O)O)cc1 409069712 VNBSGGCYLFFTKD-HZHRSRAPSA-N 468.509 5.247 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(Cl)cc1 409191394 GJYKMILXORIXMC-WYMPLXKRSA-N 488.725 5.354 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)cc1 409213716 UJQPSECPGNZHBH-VULFUBBASA-N 469.994 5.167 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c2)c1 409272087 OKURTQSCPIGLQE-UCQKPKSFSA-N 453.542 5.483 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cccc(OCc3ccc(F)cc3)c2)ccc1OCc1ccccc1 409309579 JFVKSDIGHPQEEY-MZFJOGFUSA-N 498.554 6.146 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1OC 409324457 SXHAHHOBEZSENT-RHANQZHGSA-N 480.536 5.365 50 40 JKGB Cc1ccc(C)n1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 409387625 RVHZKLOWUKYUCE-XDHOZWIPSA-N 463.368 6.092 50 40 JKGB Cc1ccccc1[C@H](N[S@](=O)C(C)(C)C)c1ccccc1P(c1ccccc1)c1ccccc1 1857795068 JTIQRCCAEXVYNU-ZBWWXOROSA-N 485.633 5.894 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3C)C(=O)N2c2ccc(Cl)cc2)cc1 935244 GBTSLOAKFWVWSE-FYAMCCBRSA-N 488.012 6.022 50 40 JKGB CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 1794207 VYUQWMMUEOWVHS-JVWAILMASA-N 492.004 5.229 50 40 JKGB O=C(COc1ccc2ccccc2c1Br)N/N=C/c1cccc(Oc2ccccc2)c1 3088052 RLQPNMAEQFFARP-JVWAILMASA-N 475.342 5.924 50 40 JKGB Cc1ccc(/N=N/C(=N/NC(=O)c2ccccc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 5580232 HMZARWJBXATASW-HHTJONBPSA-N 477.572 5.813 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccc4ccccc4c3)c2)cc1 8860879 LHRWSDJCMPBNDK-HZHRSRAPSA-N 468.534 5.462 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1F 9262662 PRRYERPZNPGUOS-XDHOZWIPSA-N 450.897 6.002 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)c2cc(C)n(C3CCCC3)c2C)c(C)n1-c1ccc(Br)cc1 12560831 DPVXUMQTBIRQKO-PXLXIMEGSA-N 490.445 7.180 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccccc1 20347848 KCCTYGUUMJKVBD-QHCPKHFHSA-N 464.974 5.381 50 40 JKGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1 27520703 SBAJLPZBVCGAEC-JVWAILMASA-N 455.518 5.174 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(Br)c1OCc1ccc(C)cc1 28217998 QPBSELSKWYBKAP-LGJNPRDNSA-N 487.781 5.762 50 40 JKGB Cc1cc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)ccc1Cl 32581106 XTGBCTPPDXLMHU-MUFRIFMGSA-N 472.928 5.550 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1ccccc1F 33739876 WCVGNSQSYQFQGO-YVLHZVERSA-N 456.286 6.379 50 40 JKGB CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccs2)c1C 34718481 XEQNBSGSHRAVAF-AQTBWJFISA-N 470.554 5.512 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)NCCc1c[nH]c2ccccc12 59104998 PAJMCQGUYRHUCX-BKUYFWCQSA-N 490.390 6.320 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2)c1 59201300 HENWHYCXFDUQJX-FYJGNVAPSA-N 461.359 6.191 50 40 JKGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)c1 59249216 RWDJGKFLCDTSSH-WKULSOCRSA-N 488.975 5.617 50 40 JKGB CCCCCCCC[C@@H](Br)C(=O)c1cc(C)cc(Br)c1OC(C)=O 100932595 DYXMNQFRJBOFQG-MRXNPFEDSA-N 462.222 6.380 50 40 JKGB FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COCCCl 103538792 WWRPZYZRCPYHIR-UHFFFAOYSA-N 494.597 5.954 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)c(Cl)c1 108076974 GYTQECCDLGRYHL-GRSHGNNSSA-N 469.324 6.943 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N4CCCC4)o3)o2)cc1 108135130 BORCVGSCLUISAW-QRQIAZFYSA-N 472.545 5.223 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OC 408579067 CWKRWSJQVBWKDG-OQLLNIDSSA-N 451.158 6.073 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccccc1 408579664 JHSKBFSPFHPXFM-RQZCQDPDSA-N 489.196 7.408 50 40 JKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 408599395 GWWYQQSJYJLIFD-BIZUNTBRSA-N 459.593 6.904 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3C)n2)cc1OC 408725435 OYMICYSKGUTQNF-ZCTHSVRISA-N 490.563 5.782 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(I)c1O 408758621 NYFFHJAVLNUSLZ-MHWRWJLKSA-N 484.293 5.094 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408792768 CMRNGOIAMHFQRU-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc(Cl)c1 408796944 PWAYGGCOGJZPQZ-LICLKQGHSA-N 457.744 6.771 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(Cl)c2)c1 408798105 UWEYEHJQQVCOHG-AFUMVMLFSA-N 466.968 7.235 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 408800112 KPDGIHINLFYCBB-KGENOOAVSA-N 468.940 6.632 50 40 JKGB CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC 408807012 NWEUBHIJHJTPDK-RIYZIHGNSA-N 496.732 5.288 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408900007 SFIQZFGJRBIZCY-GZTJUZNOSA-N 468.296 6.026 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccc(C)cc3)o2)cc1 408911962 PDHCCIUGVRPNFO-ATVHPVEESA-N 467.388 6.610 50 40 JKGB O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1 409069799 AIYCWWCSCSUZEW-ZMOGYAJESA-N 475.795 5.783 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccccc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409089898 KZYDTKNXBMHVDR-LICLKQGHSA-N 465.849 6.412 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1OCc1ccc([N+](=O)[O-])cc1 409092766 WMCPJVNYNJFBJN-AQTBWJFISA-N 463.877 5.381 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1NC(=O)c1ccccc1 409203014 UQDGEBZTKQSYMZ-WQRHYEAKSA-N 453.329 5.341 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3c(OCc4ccc(Cl)cc4)ccc4ccccc34)[nH]c2c1 409393250 WLDRLLQDWQTKTL-ZHZULCJRSA-N 465.940 7.021 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)OCO3 664316 LHCWHCROHUMTLK-QHCPKHFHSA-N 467.308 5.519 50 40 JKGB Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3sc4ccccc4c3Cl)cc2)c1 671310 GKTXLFPFWMAKDJ-UHFFFAOYSA-N 463.946 5.190 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccncc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 1818177 BNPKTUFWQLSPQW-STBIYBPSSA-N 484.629 5.178 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2O)cc(Br)c1OCc1ccccc1Cl 1950347 OZUOJXJAKGPCCT-BRJLIKDPSA-N 489.753 5.160 50 40 JKGB O=C(O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccccc1)N2 6473952 GEQGUCRYYIPLPX-JYTHNSPOSA-N 480.973 6.332 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)o1 9057402 NRQGBFQPHZPKPP-UKTHLTGXSA-N 452.810 5.271 50 40 JKGB Cc1c(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc2n1Cc1ccc(C#N)cc1 9204919 YKFIOUSHGUUQNM-MUFRIFMGSA-N 485.385 5.325 50 40 JKGB O=C(N/N=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2cccc3ccccc23)cc1)c1cccnc1 9308370 WAPZXPYHUXWSQN-OXMOZHKQSA-N 495.586 6.354 50 40 JKGB CCOc1ccc(-c2[nH]nc3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)cc1OC 9308807 HBOCLTNJQHEWQX-QGZVFWFLSA-N 457.317 5.009 50 40 JKGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(C#N)=C(N)O3)cc1 9357909 FIISZJIFLPSMFY-JOCHJYFZSA-N 486.616 5.994 50 40 JKGB CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1 12419844 PYZASTCRWCPDDQ-MNDPQUGUSA-N 466.603 5.918 50 40 JKGB O=C(NNc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccc(Br)cc1 13382130 BVYUGHUTWOXECL-UHFFFAOYSA-N 450.361 5.997 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2 14152195 XOUMAYSHMSRQKU-CPNJWEJPSA-N 480.568 6.186 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1Cl 28216316 DRHOTPSJQGMQJU-OPEKNORGSA-N 450.753 5.583 50 40 JKGB CC(C)c1ccc(/C=N\NC(=O)CSc2nnc([C@@H](C)Nc3cccc(Cl)c3)n2C)cc1 28632644 YKANXRPZKGGWMS-UOKWBDCBSA-N 471.030 5.007 50 40 JKGB Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 33785753 PXIPRDQVLOCEOQ-HKWRFOASSA-N 479.536 7.264 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccncc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 83314924 OFXFSIFAIQKLCZ-RAWMCFOBSA-N 464.736 5.393 50 40 JKGB Cc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2c(C)cccc2C)N=C2CCCC(O)=C21 100703074 LFPYKGOOESNUCL-DEOSSOPVSA-N 457.599 6.253 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 108005280 PYBIBFXEZARAKK-YSMPRRRNSA-N 491.635 6.813 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1Cl 408566534 HJCFZRVYTJHDDM-UXHLAJHPSA-N 479.020 6.308 50 40 JKGB CCOc1ccc(/C(C)=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 408779338 CYLGVYVDTHKMOQ-ZSUWKCOKSA-N 473.598 5.014 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(C)cc1 408793312 DTXDMWMTDZKFAS-FYJGNVAPSA-N 491.385 6.281 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 408795898 WOOBRNBVNOHYIP-GZTJUZNOSA-N 468.296 6.026 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C 408804661 GHRAAPBKNLGAJJ-WOJGMQOQSA-N 491.016 6.114 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2C)c1C 408806176 ASJDIANSTNVJMU-WOJGMQOQSA-N 454.357 6.264 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccc(C)cc1 408854693 BJLFURIYFRYLBQ-UDWIEESQSA-N 464.924 6.311 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)cc3Cl)c(C)c2)cc1 408855561 GCWFFKJRWKLJPC-FYJGNVAPSA-N 495.406 7.134 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1Cc1cc(C)cc(C)c1 408870088 UVAWRMLYVZMPLU-RGVLZGJSSA-N 465.380 6.755 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2)ccc2ccccc12 408924676 NNSWHEYYYYRURF-RCCKNPSSSA-N 479.492 5.881 50 40 JKGB O=C(Cn1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c2ccccc21)Nc1ccc(F)cc1 409023843 JXCGOBOTSUHZFW-DBFSUHOCSA-N 488.906 5.583 50 40 JKGB CC[C@@H](C)Oc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC 409035267 PGYLSGKMJHDNRK-WWSGVFNASA-N 453.542 5.852 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Cl)c1OCc1ccc(F)cc1 409054206 SNRURYKWPRIUTK-KKMKTNMSSA-N 461.320 5.792 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(C)c2)c1 409267153 SQZNDOTYKLHIJP-FYJGNVAPSA-N 473.960 5.828 50 40 JKGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccc(I)cc1 409368286 RGBYFIZVLITNFY-LCYFTJDESA-N 476.657 6.177 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCC(=O)Nc2ccc(C)c(C)c2)c1 409378880 SXYIEKIZVFWCPR-HAHDFKILSA-N 453.542 5.429 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccccc1Br 1805751 MUPWUETUNZKCFZ-FMIVXFBMSA-N 495.682 6.927 50 40 JKGB Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(C(C)(C)C)cc3)s2)cc1Cl 2553658 YGMODWBXGNHVBR-YBFXNURJSA-N 450.007 6.539 50 40 JKGB COc1ccc2c(c1)[C@@H]1C(=S)SS[C@H]1C(C)(C)N2C(=O)Nc1ccc(Cl)c(Cl)c1 3193829 JXDRAZZSUFJDHZ-DLBZAZTESA-N 485.483 7.007 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3cc(OC)c(OC)cc3C(C)=O)n2)cc1OC 9057818 DXUNWRTXNKUGNZ-FOWTUZBSSA-N 465.531 5.024 50 40 JKGB Cc1cc(SCC(=O)N(/N=C/c2ccccc2)c2cccc(C(F)(F)F)c2)nc2ccccc12 13112829 PDDRAZVVSVSFOM-OKCVXOCRSA-N 479.527 6.721 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)o2)cc1 13387957 UXUXZDNKKYDRMM-LFIBNONCSA-N 465.849 5.231 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 16216773 DLJLGMIIXPXYTA-PDGQHHTCSA-N 497.429 5.638 50 40 JKGB CCCOc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)cc1 20595463 PPWMZOPOMSWKGV-RUMWWMSVSA-N 465.597 6.968 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1 33659362 DTWPDXUSYPLUJE-ZCTHSVRISA-N 460.533 6.345 50 40 JKGB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 38204531 QQWNMDXUQINVJH-FYJGNVAPSA-N 470.959 6.046 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 207155751 ZWCMLKCBDDYKOP-NDENLUEZSA-N 467.352 5.804 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc2c(cc1C)N(C)C(C)(C)C[C@@H]2C 208215499 NCGZSSHZXNJQFZ-SQAVSUBZSA-N 458.400 5.252 50 40 JKGB COc1cc(/C=C(\C#N)c2ccccc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 408542805 NYEKONSWLXZPFV-NLRVBDNBSA-N 452.554 5.964 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3cccc(C)c3)n2)c1 408725849 QHRFFWVKJXAMFD-NDZAJKAJSA-N 460.537 5.773 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OC)c1OCc1ccc(Br)cc1 408768212 CVZNDFJLNRCVHP-NDENLUEZSA-N 469.379 5.197 50 40 JKGB CSc1ccc(S(=O)(=O)N(CC(=O)N/N=C(\C)CCc2ccccc2)c2ccc(C)cc2)cc1 408779294 UPCQYVQWDPUUQX-SZXQPVLSSA-N 495.670 5.037 50 40 JKGB CC(C)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1 408807466 COJSMLFMLFRAHT-NTEUORMPSA-N 464.157 5.544 50 40 JKGB N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)C(=O)Nc1ccccc1F 408811236 AFIMYCFGBJWGMH-LHLOQNFPSA-N 483.546 7.496 50 40 JKGB Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1 408814954 ZXKNBRBULPBYCN-HZHRSRAPSA-N 466.968 7.235 50 40 JKGB Cc1cccc(NC(=O)N/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1C 408820140 VNNVDUKEIXIMHC-KSEXSDGBSA-N 478.799 6.619 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3)o2)cc1 408846978 KVZJJQUOKAUMJX-DXJNIWACSA-N 479.967 7.130 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1cccc(Cl)c1 408869280 QKBGLTDDPAWALX-RQZCQDPDSA-N 471.315 6.266 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1Cc1cccc(F)c1 408873450 UGAUNRNIYZDZPS-RQZCQDPDSA-N 483.312 5.872 50 40 JKGB N#C/C(=C\c1c(Cc2cccc(F)c2)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 408874477 CGVXNNGXBPMZDB-XSFVSMFZSA-N 475.350 7.422 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 408880880 LETMVVNHWOARFF-SFQUDFHCSA-N 487.364 5.615 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1OCc1cccc2ccccc12 408886010 CRPRHMCRZVGDRJ-AJBULDERSA-N 475.548 5.982 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccccc2Cl)cc1 408892765 CHUWPYZBRWYMAR-KGENOOAVSA-N 490.943 5.650 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cccc(OCc2ccc(Br)cc2)c1 408925210 QMSSUOSCLZMGBQ-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB CCOc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c2ccccc12 408978537 IZTYUGJMABYVQS-RLBBTWETSA-N 465.553 5.250 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1C 409262968 KWIVZGMEWSOKMJ-MBTHVWNTSA-N 479.964 5.137 50 40 JKGB COc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)cc2)ccc1OCc1ccccc1 409322842 LGOASEQHEXVZRX-DXJNIWACSA-N 480.564 5.926 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccc(C)cc1 409394085 VJQIQRCWZYXNQE-JMIUGGIZSA-N 452.323 6.548 50 40 JKGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 1439534 KLDBPGUGULSCKR-UYRXBGFRSA-N 476.916 5.260 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2727084 ZORZYOGBZLKHQZ-UKTHLTGXSA-N 461.783 6.073 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@@H](NC1CCCCC1)c1cc(Br)ccc1O 3083161 ZNQKSVVAZRNXSB-RUZDIDTESA-N 484.374 6.090 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)c1cc2c(ccc3ccccc32)o1 8437544 LTJWJYGZKIFGDN-WGARJPEWSA-N 459.299 6.372 50 40 JKGB N#C/C(=C\Nc1ccc(Cl)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 9065251 MNLFJQLNJFXHJC-JLHYYAGUSA-N 450.863 5.455 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCc1ccccc1 9075288 JCAORHOZUDKKQG-ODLFYWEKSA-N 493.415 7.769 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(OCc4ccc(Cl)cc4)cc3)c2C)c1 9311788 BPDRCLOJYJHEGV-KOEQRZSOSA-N 496.010 7.181 50 40 JKGB O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1)c1ccc(Cl)cc1 10060112 QQXXFGOUZKXTHR-ZMOGYAJESA-N 457.711 5.086 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 10475931 BPGKYECBBVMCDB-CCVNUDIWSA-N 491.802 6.317 50 40 JKGB N#C/C(=C/Nc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2cc3ccccc3oc2=O)cs1 13659335 YZXROKXYLBQPMX-RAXLEYEMSA-N 473.863 6.565 50 40 JKGB Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C(\C#N)C(=O)Nc1cccc2ncccc12 14358029 YAPQWOYWQMJIGQ-RVDMUPIBSA-N 481.865 5.947 50 40 JKGB CCCCOc1c(Cl)cc(C(=O)Nc2sc(/C(C)=C\C#N)c(C)c2C(=O)OC)cc1Cl 16807779 HBMVFMOFOFYSOE-GHXNOFRVSA-N 481.401 6.508 50 40 JKGB COc1ccc([C@H](C)/C=N/NC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)cc1 20550415 UNLQILWURIOAEM-UZOOHMMHSA-N 451.570 6.553 50 40 JKGB C=CCc1cccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)c1O 30750307 DOBQYKORANNDJC-KSEXSDGBSA-N 491.063 5.160 50 40 JKGB CC[C@@H](C)Oc1c(I)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OC 33572802 QUUFTXVVCUILLB-SLVCOGOPSA-N 487.341 5.726 50 40 JKGB CCOC(=O)COc1cc(Br)c(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OCC 34828316 ZWEUDXQTWZPUGE-SXGWCWSVSA-N 484.350 5.039 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(OCc4ccccc4)cc3)c2C)cc1C 58913727 LIPPKWJTKRJLMX-FDAWAROLSA-N 494.595 5.379 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccs2)cc(Br)c1OCc1ccccc1Cl 59197952 HJJFCCYIMRRDSD-WYMPLXKRSA-N 493.810 5.906 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cccc([N+](=O)[O-])c1 59336027 NWVGWSBCUKJEIM-YBEGLDIGSA-N 455.301 5.855 50 40 JKGB CCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103528198 RWWLQFHGAGIOAN-SNVBAGLBSA-N 486.200 7.399 50 40 JKGB FC(F)(F)C(F)(F)[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103528901 RGKZIPXARJRKOZ-UWTATZPHSA-N 491.988 5.846 50 40 JKGB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NCCCl)CC[C@]4(C)[C@H]3CC[C@@]21C 118923221 QWMAVRKIDZNMQT-LKHYOGBDSA-N 450.195 8.305 50 40 JKGB C[C@H](CCCI)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118925995 HBAQUSMBLAIDOW-OBUPQJQESA-N 456.496 7.887 50 40 JKGB CCN1c2cc(C)c(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2[C@@H](C)CC1(C)C 223583979 LDBHKNFQZFGJDA-FKSSYULRSA-N 482.422 6.380 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc(Br)c(Cl)c1 408541611 DNRUFXKBLQEHNO-MFOYZWKCSA-N 498.764 5.754 50 40 JKGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408606779 AYDUXDDJTNRJNH-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB CCc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4Cl)cc3)CC2=O)cc1 408611373 WAMCOPXXCKXQLP-IBGZPJMESA-N 498.410 5.631 50 40 JKGB O=C(O)c1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1 408733449 XRCXUDXAHUPHOL-RUMWWMSVSA-N 485.543 6.273 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 408744202 DJWAQBQAVQFTMH-PDGQHHTCSA-N 497.776 6.236 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 408744437 FQYGJRJVFSBAPN-ODLFYWEKSA-N 467.352 6.435 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c2C)sc2c1CCCC2 408780601 FYJZWKFJHVUQEC-AQTBWJFISA-N 494.016 6.020 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)cc1 408790776 YMKAYJVDIXSITF-FYJGNVAPSA-N 457.917 5.735 50 40 JKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)cc2Cl)c1 408792971 CKNKKXNRGXLQTB-UDWIEESQSA-N 451.353 6.735 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1Cc1ccccc1F 408869226 PVRVJJOTBFJWKK-RQZCQDPDSA-N 488.868 6.643 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1c(Cl)cccc1Cl 408885233 YMRRDGGYZSIZTP-MHWRWJLKSA-N 492.189 7.425 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccccc1Cl 408897321 RLKGFSFBROYHBA-LUOAPIJWSA-N 498.193 6.652 50 40 JKGB O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cc(-c2ccccc2)nc2ccccc12 409032537 JFCOZCQHBZNANK-QRQIAZFYSA-N 462.465 5.834 50 40 JKGB N#C/C(=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)C(=O)Nc1ccccc1 409078028 HIUAFDQZLIQJPP-WJDWOHSUSA-N 453.376 5.952 50 40 JKGB COc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 409192994 ADXQYIDNOVMOBS-CZMJTDGBSA-N 468.340 5.338 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)c1ccccc1 409235410 PLMAUYPDXHGOSR-SXOHWRJOSA-N 476.363 6.228 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCCC)c(OCC)c2)cc1OCC 409314793 TXBYRNOTXALNFE-QQXSKIMKSA-N 462.974 5.479 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(I)cc1 409373635 YBIDHLNXBHJHQI-UNOMPAQXSA-N 471.725 6.588 50 40 JKGB O=C(CNc1cccc2ccccc12)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 409393740 ZSOZJGGVYYKGAD-WCMJOSRZSA-N 466.972 6.058 50 40 JKGB Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(F)cccc3c2-c2ccccc2)c1 409397767 NVSYMKOWGVDVTH-UHFFFAOYSA-N 491.522 6.266 50 40 JKGB COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(CSc2ccc(Cl)cc2)c(C)cc1C 650889 MVIKBCWWWKTBQK-QFIPXVFZSA-N 454.979 5.504 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccccc1Cl 949284 TYDKPXNFTPNXMD-FMIVXFBMSA-N 451.231 6.818 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 2730245 UEGZWNOUOQXWNS-BUVRLJJBSA-N 475.979 7.350 50 40 JKGB COc1ccc(/N=N/C(=N\NC(=O)c2ccccc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 8665786 YCACDEIXRLGQNS-VNJLCCJNSA-N 493.571 5.513 50 40 JKGB N#C/C(=C\c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)c1nc2ccccc2s1 9210610 AWEFFRJHMKVDJQ-FYWRMAATSA-N 456.914 5.814 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)OCO3 9805438 RTJZSTFGGUDJSI-HSZRJFAPSA-N 492.318 5.391 50 40 JKGB Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)Sc3ccccc3)c2C)c1 20243748 BFCKKBULBIOUDN-YMSFFTPVSA-N 484.463 6.104 50 40 JKGB CCc1ccc(-c2cc(C(=O)N/N=C(/C)CCc3ccc(OC)cc3)c3cccc(Cl)c3n2)cc1 22743520 ZJRJXIGCNQDHOO-MZFJOGFUSA-N 486.015 6.865 50 40 JKGB O=C(CCl)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C[C@@H]1c1ccco1 23055278 SZWSDQSOKMRSLK-LJQANCHMSA-N 466.324 5.358 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(-c3ccccc3)[nH]c3ccccc23)c(C#N)c1C 33743969 XOCBQXRKSDENHJ-CPNJWEJPSA-N 479.561 5.972 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccccc4F)c(Br)c3)[nH]c2c1 34689744 IERIEWGXTRIDAP-MFOYZWKCSA-N 496.767 7.070 50 40 JKGB CCCCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1cccc(C(F)(F)F)c1 408540502 SOTITRXTCLJDTI-NTFVMDSBSA-N 499.371 6.971 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OCC)c1OCc1ccc(C)cc1 408544821 XSRZSVDDQNPBBX-QQXSKIMKSA-N 453.538 6.464 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1cccc2ccccc12 408581544 IVJLIVWPMYXHRF-ZVHZXABRSA-N 499.994 7.552 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3ccccc3O)cc2-c2ccc(-c3ccccc3)cc2)cc1 408726674 SOKOANPDCUBAGN-AJBULDERSA-N 472.548 5.984 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc2c(c1)OCO2 408744913 NZXDJAOLKVNETJ-MTJSOVHGSA-N 456.498 5.247 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1cccc(Br)c1 408751912 AIRWGMDWDJBWOZ-PDGQHHTCSA-N 451.295 5.713 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c1 408764060 IGEPVDWGMLMAEW-SFQUDFHCSA-N 481.335 6.157 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc2ccccc2c1 408775194 ZPBRQKAAQTYRST-OYKKKHCWSA-N 489.413 6.341 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1C 408799131 YEFRFBGJEBDUMC-UDWIEESQSA-N 479.349 6.330 50 40 JKGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2OC)c1 408806083 AELIHYKKILDUCB-YBFXNURJSA-N 492.959 5.799 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc(C)c(C)c1 408814752 WEKPKQKQUWPQBA-LPYMAVHISA-N 460.961 6.480 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)cc1 408817997 ONOINPWCLCYTPK-LGJNPRDNSA-N 488.327 5.643 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)cc3Cl)c(C)c2)cc1 408853333 NQFCHAYLNSOFHS-CIAFOILYSA-N 465.380 7.043 50 40 JKGB COC(=O)c1cc(-c2ccc(/C=N\NC(=O)c3ccc(Cl)cc3Cl)o2)ccc1Cl 408880225 FIMKUECWXXHARV-VROXFSQNSA-N 451.693 5.457 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c(C)c1 408910595 XHBJHXUVNFFLLL-OGLMXYFKSA-N 450.966 5.709 50 40 JKGB Cc1cccc(Cn2cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c3ccccc32)c1 408966044 MNMRXQDSWQFRBQ-MZJWZYIUSA-N 452.470 5.416 50 40 JKGB O=C(N/N=C/c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12)c1ccc(Cl)cc1 409065809 UJGYRXZNSUOFBA-LUOAPIJWSA-N 455.276 5.632 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Cl 409264415 LFURCUWZHMALQA-LICLKQGHSA-N 498.341 6.004 50 40 JKGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 409372100 OIURGZDGMFRVML-OCSSWDANSA-N 451.957 6.189 50 40 JKGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccc(F)cc1 1896051 YACRNSQBQCOJCZ-WYMPLXKRSA-N 468.604 5.365 50 40 JKGB Cc1c(/C=N/NC(=O)[C@H]2COc3ccc(C(C)(C)C)cc3O2)c2ccccc2n1Cc1ccccc1 2310510 RPOOVOFKNAOZCK-NVNXYZKKSA-N 481.596 5.586 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 2670830 HBZQFTRHQSSLBE-MHWRWJLKSA-N 498.366 6.985 50 40 JKGB Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1c2ccccc2cc2ccccc12 3085779 PWPAHMXCGYNTFS-MZJWZYIUSA-N 461.359 5.901 50 40 JKGB O=C(CNc1ccc(Br)cc1Br)N/N=C/c1ccc(Cl)cc1Cl 3092521 QXLOLCSXGMVCKO-QPSGOUHRSA-N 479.987 5.081 50 40 JKGB CCOC(=O)/C(C#N)=C/c1cc(Cl)c(OCCOc2ccc(Br)cc2)c(OCC)c1 9059299 LZIOAZXXSKEMSZ-LFIBNONCSA-N 494.769 5.429 50 40 JKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)cc1OC 12578299 IESCQZKHDIETJH-XMHGGMMESA-N 464.550 6.230 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1ccc(Cl)cc1 13338322 SALFOEYRAFVXPJ-XDHOZWIPSA-N 462.889 5.171 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@H]1c1ccc(C)cc1 20057976 VDKAZUWLYUIPEX-RUZDIDTESA-N 487.625 5.409 50 40 JKGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C(\C)c3ccc(C(C)(C)C)cc3)cc2)CC1 20240553 JBRYPPIGDWYDJE-AWSUPERCSA-N 498.671 5.469 50 40 JKGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)c1 28213670 AOSNHBYTJKSJKT-CCVNUDIWSA-N 496.032 5.358 50 40 JKGB CCOc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)ccc1OCc1cccc(C)c1 41120617 LWHZSRKWUKSYTN-KGENOOAVSA-N 469.566 6.778 50 40 JKGB COc1ccccc1-c1cc(C(=O)NN=C2CCN(Cc3ccccc3)CC2)c2ccccc2n1 55082686 HLOZSHSNBUDAAH-UHFFFAOYSA-N 464.569 5.292 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1cccc(Cl)c1 59117266 ODSLRHNLVSWMRB-WOJGMQOQSA-N 453.325 6.127 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc(Cl)c1Cl 59336041 KAFWKIUMQNTPAD-YBEGLDIGSA-N 492.189 7.425 50 40 JKGB CN1/C(=C(/C#N)C(=O)COC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)Sc2ccccc21 102954764 FHMYXJXDRJDCPV-CJLVFECKSA-N 484.455 5.669 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1OC 408583281 TXFJXJXOSUYYLH-GZTJUZNOSA-N 490.364 5.842 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Cl)cc1Cl 408725966 NPCTXVDBMYPZDC-ODLFYWEKSA-N 467.352 6.435 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 408743953 IOYCAOICFAKLNJ-UNOMPAQXSA-N 495.348 6.112 50 40 JKGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1cccc(OCc2cccc3ccccc23)c1 408758506 LGTTVZFMJFHIJZ-KBVAKVRCSA-N 462.471 6.130 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OCc1ccccc1 408759560 HCORLOGDSKNRHP-LQKURTRISA-N 489.369 5.954 50 40 JKGB CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2c1 408774523 PDZGMJUEXZCKSI-WJDWOHSUSA-N 455.341 6.490 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)Nc1ccc(Cl)cc1 408788552 DLUGZILVNDUXJS-YBFXNURJSA-N 492.760 6.099 50 40 JKGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Br)cc2)c2ccccc12 408802989 KAXYHCNSBGERSB-CXDFQFJYSA-N 450.380 5.582 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1ccc(Br)cc1 408804136 WGPZQZYIBYGGMM-LDADJPATSA-N 467.750 6.227 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(OCc2ccc(Cl)cc2Cl)c1 408807433 CWGRCPHLOBWUMN-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1cccc2ccccc12 408808581 QHUSRRMMTUBQPP-HZHRSRAPSA-N 482.967 6.935 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cc1cccc(F)c1 408866538 GTDOENQODCAEAU-UDWIEESQSA-N 468.450 6.380 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1Cc1ccccc1F 408871720 ZHLMBQMXWKGKQZ-XDHOZWIPSA-N 465.322 5.733 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1OCc1ccc(C)cc1 408885165 YBVIWRXISNOIJI-OEAKJJBVSA-N 474.988 6.734 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OC)c1OCc1cccc(Cl)c1 409069491 DDOISPWMSMZHLC-HYARGMPZSA-N 488.971 6.210 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 409229783 VAGDFAGEAUZKMD-CTPANLQCSA-N 464.924 5.851 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 409369729 FMMWQXIPEKZAKP-GRSHGNNSSA-N 470.356 5.677 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])[nH]c2c1 409389973 BIARDHHZAZUXCH-ZDLGFXPLSA-N 456.458 5.131 50 40 JKGB C#CCOc1c(C=NNC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cccc1OC 409405983 VQBSWIURIRNUKS-UHFFFAOYSA-N 497.551 5.051 50 40 JKGB COc1ccccc1OCCCC(=O)Oc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC 1903381 CNGSMJVECLVBES-LTGZKZEYSA-N 477.944 6.186 50 40 JKGB N#CC1=C(SCC(=O)Nc2cc(Cl)ccc2Cl)NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 2229504 ZSFKCMGFIRWYRD-FQEVSTJZSA-N 474.369 5.387 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)ccc1OCc1cccc2ccccc12 9028316 VTDYUKAPYUPSKQ-NDZAJKAJSA-N 468.553 5.519 50 40 JKGB C=CCc1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2OC)c(OC)c1 9434562 VFZBUAWJDNCHQC-JJIBRWJFSA-N 498.579 5.744 50 40 JKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3cccc4ccccc34)ccc2O)cc1 10059253 CFMQSNZUDDQALA-WVAOYBFNSA-N 480.568 7.003 50 40 JKGB COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c2C)c1 14134355 JCIISKPGADSTNO-OGLMXYFKSA-N 468.513 5.442 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2ccc(Cl)cc2)cs1 16669814 YEEOUURWJHQCQG-NTEUORMPSA-N 468.321 7.349 50 40 JKGB Cc1ccccc1[C@@H](C#N)/C(=N/NC(=O)c1cc2ccccc2cc1O)C(=O)Nc1cccc(Cl)c1 17191900 KJHDIKSMXUGIOK-FYHWBTKBSA-N 496.954 5.539 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c(C)c1 28467575 NPFKYMBSNOMZCA-NKFKGCMQSA-N 476.580 6.491 50 40 JKGB CCOc1cc(COc2ccc(/C=N\NC(=O)c3ccccc3)cc2)ccc1OCc1ccccc1 34736948 JKUZDGMVLJYLGD-GTWSWNCMSA-N 480.564 6.007 50 40 JKGB O=C(NNc1cc(-c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(Cl)cc1Cl 51330885 BITQKUYUYUUCAR-UHFFFAOYSA-N 480.311 5.783 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 59233080 XIDRVPSLSYWKRA-HMMYKYKNSA-N 463.449 5.513 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1ccccc1F 59306253 WMHLIQMIZUAEHA-JAIQZWGSSA-N 495.348 5.399 50 40 JKGB CCOc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)CCl)[C@@H]3c2ccc(OCC)cc2)cc1 96400885 KOZISSCPCOFRQW-JCIKJAKISA-N 452.982 5.846 50 40 JKGB CCCCOC(=O)CSC1=C(C#N)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1 100882071 IBEZGJMXPABSJP-LJQANCHMSA-N 465.402 5.499 50 40 JKGB CC(C)=CCC/C(C)=C\C[C@]12OC(C)(C)[C@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 105468535 BCPWMPCOEAOEDD-XZWLNURNSA-N 481.416 6.082 50 40 JKGB CCOc1cc(/C=C(\C#N)C(N)=S)cc(I)c1OCc1ccccc1Cl 107963452 ITAXSGHGOCCHRT-VGOFMYFVSA-N 498.773 5.115 50 40 JKGB COc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(Cl)cc1Cl 408580307 OEGQCQKKLZRJMY-ONNFQVAWSA-N 461.968 6.591 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)cc2Cl)cc1 408676062 DIIYSHJNIRQXBW-STBIYBPSSA-N 490.991 5.030 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccccc1Cl 408676614 LKCJATMYNVEIGA-MUFRIFMGSA-N 498.410 5.945 50 40 JKGB N#C/C(=C\c1cc(Br)cc(Br)c1O)C(=O)Nc1cccc(Cl)c1 408734190 FOIBWQOSPZGTNG-ONNFQVAWSA-N 456.521 5.116 50 40 JKGB O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1ccc2ccccc2c1 408742616 WVNVDFKROOPAFC-JWHWKPFMSA-N 491.594 7.728 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)c1 408745050 PATFPUIJSCBWJI-XKZIYDEJSA-N 487.386 7.580 50 40 JKGB Cc1c(Cl)cccc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(C)(=O)=O 408768270 DOUSNMBBAWXONV-UHFFFAOYSA-N 456.052 5.191 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2cc(C)cc(C)c2)cc1 408774911 YQHZOKZVWAXKMP-OGLMXYFKSA-N 477.630 5.081 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 408776127 UJBXDGCWIJMREO-APSNUPSMSA-N 467.780 6.056 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccccc1C#N 408787183 UBGDGUCVKGGYIG-NHDPSOOVSA-N 464.363 5.060 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)cc1 408792157 IUXTZRNOAQDUKU-GIJQJNRQSA-N 471.771 7.080 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1cccc(Cl)c1 408857003 KFSILUOCRQXNTN-RQZCQDPDSA-N 471.315 6.266 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1Cc1ccccc1Cl 408868643 PGVUBLKMCFRZJJ-LICLKQGHSA-N 499.767 6.387 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3F)ccc3ccccc23)c(C)c1 408882466 OJKSIEDAKHGHBC-XQNSMLJCSA-N 450.513 6.720 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1ccc2ccccc2c1 408900069 SODWWDJWXWPXQY-IPPBACCNSA-N 483.782 7.143 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(C)n1-c1cc(Cl)cc(Cl)c1 408925521 UMECAOXGMLHLNR-JFLMPSFJSA-N 451.357 5.956 50 40 JKGB CC(C)(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1 408997019 FZFVFCSVAOAHTI-STBIYBPSSA-N 489.641 5.177 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1OCc1ccc(F)cc1 409070760 OVTCBTVSBPZJIH-KGENOOAVSA-N 476.935 6.341 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1Oc1ccc([N+](=O)[O-])cn1 409213854 VKOIWIBXGKKPMI-UNOMPAQXSA-N 458.474 5.343 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 409246326 BBYBGRBTHQCTLJ-WQFTWXBESA-N 478.951 6.241 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(Cl)c2)cc1OC 409326957 PATAKDNEAUPIRF-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc3ccccc3s2)[C@@H]1c1ccc(Cl)cc1 2147908 WNUYVGYBPAQSLC-OAQYLSRUSA-N 471.010 6.722 50 40 JKGB CCCCCCCCCN1C=C/C(=C/C(C#N)=C2C(=O)c3ccccc3C2=O)c2ccccc21 3079472 KUHKRMPCHBTMSI-XDOYNYLZSA-N 450.582 7.054 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1C 9259164 IPRXOBWOZWCQBL-ROTLSHHCSA-N 495.333 5.583 50 40 JKGB Cc1ccc(/N=N/c2ccc(O)c(/C=N/NC(=O)Cc3ccc(Br)cc3)c2)cc1C 9289435 QEDQIZVQXUFJEI-VEVCQMGESA-N 465.351 5.880 50 40 JKGB COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 16438659 FWNDOIBLYKYXIO-VGOFMYFVSA-N 464.157 5.383 50 40 JKGB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=C2CCCCCCC2)cc1 20233400 UHBPGEYGJRYZLM-UHFFFAOYSA-N 462.015 5.136 50 40 JKGB CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c(OC)c1 27563375 CELHQUJIDANYEZ-ZDSZAHSWSA-N 496.563 5.326 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 33915796 FWTMRZLNGPBGQY-DHRITJCHSA-N 465.918 5.806 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cc(Cl)ccc1Cl 59117366 WLVXDLVHSAUZRR-LICLKQGHSA-N 457.744 6.771 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1 59245179 HBQOHYATNCERGJ-LDADJPATSA-N 497.776 6.236 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1Cc1ccc(Cl)cc1 59332933 WHZSELRSPDGCGN-CLCOLTQESA-N 495.026 5.907 50 40 JKGB O=C(c1ccc(-c2ccccc2)cc1)[C@H](Br)[C@H](Br)c1ccc([N+](=O)[O-])cc1 98042965 MBTSUOGHHPLZHK-WOJBJXKFSA-N 489.163 6.344 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 209487375 YJRFOXVMDNSGMK-KEBDBYFISA-N 472.799 7.997 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(OCC)c1OCc1ccc(C)cc1 408544490 UEYXWTKZIPIMRA-MYYYXRDXSA-N 496.563 5.945 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cccc(Cl)c1 408598868 KPCCFSROGYMJTJ-ZDLGFXPLSA-N 469.722 6.654 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3cccc(C)c3)n2)c1 408725356 ODSSBPWABZAIQJ-NDZAJKAJSA-N 460.537 5.773 50 40 JKGB CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC 408726631 ULYDDVOSOADCQS-ATVHPVEESA-N 473.367 5.581 50 40 JKGB O=C(N/N=C\c1cccc(Br)c1)c1ccc2c(c1)CN(c1cccc(C(F)(F)F)c1)C2 408727231 DSOBGWCRROPIER-NVJOKUIPSA-N 488.307 5.752 50 40 JKGB N#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc(I)cc1 408756005 STQGOQMYIDUPJX-LGMDPLHJSA-N 466.278 5.629 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 408763445 FEKPPEZOTZCPLT-BOPFTXTBSA-N 487.364 5.615 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)c1nc2ccccc2[nH]1 408790987 SGOBJZPUGYXJGS-ZROIWOOFSA-N 484.821 7.000 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)cc1C 408809489 HFDSQMFCBKODOS-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(I)c1OC(C)C 408817321 VNEYHSMONCEGGK-MHWRWJLKSA-N 476.314 5.023 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccc(C)cc1 408857928 QGFPOMSIXPSBQE-VYYCAZPPSA-N 493.357 5.855 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Cc2cccc(F)c2)c1 408871162 YCZRKBYPIVUASJ-XDHOZWIPSA-N 454.423 5.990 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1ccc(Br)cc1 408889703 FYKJDXDBLFSUGZ-JFLMPSFJSA-N 497.389 5.508 50 40 JKGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1 408892781 CKXPPUOTYRJKRV-RPPGKUMJSA-N 463.748 5.755 50 40 JKGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 409182420 MACBSPKBWHMLBO-KKMKTNMSSA-N 497.338 5.677 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OCC)c1OCc1ccc(C)cc1 409250265 QFUQDWXSTQAMTB-BRPDVVIDSA-N 494.635 6.357 50 40 JKGB CCOc1cc(Br)c(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1OCC 2162347 GKRTUNANMBHMIJ-VULFUBBASA-N 481.346 5.910 50 40 JKGB Cc1cc(C(=O)N/N=C/c2c3ccccc3c(Cl)c3ccccc23)c(C)n1-c1ccc(F)cc1 3226719 ZIOULDNHAFXLFG-WCMJOSRZSA-N 469.947 6.957 50 40 JKGB CCOc1ccc(/C=N/NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)cc1OC 3281780 SMXALXYISKABDN-AJBULDERSA-N 480.564 6.104 50 40 JKGB O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc(F)cc1)N2 6445731 CWVCHWPJVBGHNO-FPVDIDMMSA-N 499.951 6.681 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OCc3ccccc3Cl)[nH]n2)cc1OC 9014959 CSNZXGCUUBAZRD-RWPZCVJISA-N 490.947 5.090 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)ccc1O 9428735 LMKGSZRPIJJCMF-JVWAILMASA-N 493.633 5.105 50 40 JKGB N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@@H]1c1ccc(OCc2ccccc2)cc1 9693584 KSKNZSGGQPYHKP-XMMPIXPASA-N 453.567 5.485 50 40 JKGB N#C/C(=C\c1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2cc3ccccc3oc2=O)cs1 16361899 LNCWAICXSTWCOZ-UDWIEESQSA-N 473.513 6.789 50 40 JKGB N#C/C(=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 34719566 XIXOQGLNILOJEM-WJDWOHSUSA-N 484.314 5.696 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)c(Cl)c1 59513169 QSIACXRPMTZQGQ-BRJLIKDPSA-N 474.300 5.253 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1 59920984 FSWUQJWNXCFXQD-XODNFHPESA-N 462.855 5.710 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCc1ccc(C)cc1 209484109 XIXDCTBKMCOAGQ-WSDLNYQXSA-N 495.360 6.560 50 40 JKGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc2[C@@H](C)CC1(C)C 223584201 SVGWTEUJGLPIIW-FVHJOOJJSA-N 454.618 5.854 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OCc1ccccc1 408541964 GGZICOQSEXQOJA-RGVLZGJSSA-N 488.385 6.594 50 40 JKGB N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 408543699 SEYZEFIJZOPPLK-UNOMPAQXSA-N 455.901 5.587 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OCC)c1OCc1ccccc1Cl 408544440 TWJLPCPOTVDBNL-IWIPYMOSSA-N 473.956 6.809 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccccc1OCc1ccc(F)cc1 408570184 SOKHHMYVGVITQS-JFLMPSFJSA-N 482.602 5.412 50 40 JKGB C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(Cl)cc1Cl 408579204 DQVFRLBZJVDBRC-WUXMJOGZSA-N 488.006 7.147 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=C(\C#N)c3ccc(Cl)cc3)cc2Cl)cc1 408581513 XLYYZWYVQIVDIZ-LICLKQGHSA-N 478.784 6.787 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(Cl)cc1Cl 408724511 FERVLLBDHWQFFI-YVLHZVERSA-N 469.324 5.832 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1F)C(=O)Nc1ccccc1Cl 408798303 VYWHHVUKSXSKQL-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1 408802404 DTQQWRAEEQUSKV-WSDLNYQXSA-N 460.961 6.399 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 408808477 MFLUACJPMPXUCT-SXWGQQAXSA-N 480.439 6.907 50 40 JKGB Cc1ccc2c(Cl)c(C(=O)NNC(=O)c3ccc(NC(=O)Cc4ccccc4)cc3)sc2c1 408839319 QOUBFWNJNCPKAT-UHFFFAOYSA-N 477.973 5.119 50 40 JKGB O=C(O)c1ccc(COc2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc2Br)cc1 408852577 UKFYQIHQQJDNDX-ZMFRSBBQSA-N 493.313 5.236 50 40 JKGB Cc1cc(C)cc(Cc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1 408867955 KUTGZZHOJNUFIQ-ZVHZXABRSA-N 473.414 6.819 50 40 JKGB Cc1ccc2ccccc2c1COc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 408870591 TZHXFSDELBUTTM-PXLXIMEGSA-N 486.493 7.292 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Cl)c1 408870943 XZOUMFFZDLWLNV-LFVJCYFKSA-N 466.968 7.180 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1Cc1ccccc1Cl 408874142 ZBWZBNWJRVAANT-LICLKQGHSA-N 471.771 6.792 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3Cl)ccc3ccccc23)cc1Cl 408881321 KTJZKJAZISKHNT-PXLXIMEGSA-N 471.387 7.592 50 40 JKGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408886604 HLVBYDPMBSLFGT-WUXMJOGZSA-N 497.132 5.775 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OC(=O)c1ccc(C)cc1 408890037 MXMPOLUXSXRBBI-CPNJWEJPSA-N 495.362 6.465 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cn(Cc4ccccc4F)c4ccccc34)cc2c1 409187102 MBWOOLRZUQUSKB-FDVSRXAVSA-N 455.489 5.738 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)cc1 409187549 RTLFUPLTNVEKKH-CVKSISIWSA-N 455.543 5.479 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc(C(=O)O)c1 409208105 AWYGMHVYSPMUCN-JAIQZWGSSA-N 478.888 5.988 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3Cl)c2)cc1OCC 409301798 GKGKSUYVOGKMAV-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1cc(C)n(-c2ccccc2C(F)(F)F)c1C 824373 GANZHWLEGGBEQX-IPBVOBEMSA-N 473.886 5.486 50 40 JKGB O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 3375260 BEPPJHZELKGLQE-ALQBTCKLSA-N 495.504 7.352 50 40 JKGB COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1 6183045 BIRRZFCJDCASJP-NKFKGCMQSA-N 493.994 7.673 50 40 JKGB CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1OC 9292166 IAKCSTNKQMNXMZ-SFHVURJKSA-N 457.317 5.009 50 40 JKGB CC1(C)[C@]2(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)CC[C@@]1(C)C(=O)[C@H]2Br 9427551 WJVDGQHEYIHWJJ-JDIJROHKSA-N 454.368 6.199 50 40 JKGB O=C(Cc1csc(-c2ccccc2)n1)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 13128523 IJWASFLIWVEYQF-UHFFFAOYSA-N 494.041 5.760 50 40 JKGB CC(C)c1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 20247265 LTXOHZBUBSKKHA-QVWXPNIWSA-N 457.599 5.348 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccccc1F 23723619 MGPBEZGFXHMDFJ-FMIVXFBMSA-N 456.227 5.302 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1 59116784 BBUQQVQJXPUPKO-GZTJUZNOSA-N 469.285 5.852 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(F)cc1 59921709 OEZNXTIWCKTKBS-MZJWZYIUSA-N 495.601 5.656 50 40 JKGB Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3C)N=C3CCCC(O)=C32)cc1 102597523 KMUFXJZZYLJEPY-XMMPIXPASA-N 478.017 6.598 50 40 JKGB CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(O)CCCC2=N1 103708452 MKLDPKALTPZVMT-RUZDIDTESA-N 474.582 5.831 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1Cl 106245473 JFTXVTHLWNYQKN-KGENOOAVSA-N 459.417 6.956 50 40 JKGB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)[C@H](Br)[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)OC(C)=O)C1 118923874 AADCNQYPXUSRGN-AEEOODOKSA-N 497.470 5.081 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 408580317 OHJPMNVNPWJVJM-GZTJUZNOSA-N 457.744 6.728 50 40 JKGB CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 408775335 PKUAJLUHPPOJIQ-RZNTYIFUSA-N 458.172 6.311 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C)c(C)c1 408798893 JGYNESUHUNHJPR-CIAFOILYSA-N 457.486 5.345 50 40 JKGB CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1Cl 408838689 HCXYPNBUXLOQAZ-RWPZCVJISA-N 491.016 6.678 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c(OC)c1 408875148 DLKIRSGWXDHTIA-RGVLZGJSSA-N 497.378 5.813 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)cc2)cc1 408882122 LGPPRYIXLLCXOT-CJLVFECKSA-N 489.369 5.762 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OCc2ccccc2F)c1 408893771 FOLIKHIWPHIAPD-WOJGMQOQSA-N 470.422 5.978 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1ccc(F)cc1 408894289 HIZACFRQYSERQA-DEDYPNTBSA-N 460.461 5.047 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1cc(C)cc(C)c1 408894343 HPSPIVNCLLPDMG-UFFVCSGVSA-N 495.406 7.052 50 40 JKGB COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1ccccc1C#N 408904732 NSZYYLVHQGJWIF-VYYCAZPPSA-N 493.361 5.372 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc2ccccc2c1)C(=O)NCCc1c[nH]c2ccccc12 408952313 NENMBOIWXOGTCN-IMRQLAEWSA-N 471.560 6.166 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1cccc(C)c1 408965306 VMQTZHWAWCEELH-AMVVHIIESA-N 490.909 6.409 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)cc1 409044155 BAZVNROSMZDQSK-LICLKQGHSA-N 487.770 6.780 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409084895 QYQDQYISQNTZCO-MHWRWJLKSA-N 462.374 5.276 50 40 JKGB Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)COc2ccc(Cl)cc2)cc1 409118745 PZINKNHDRGXQQJ-CFRMEGHHSA-N 455.923 5.237 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(C)c(C)c2)c(C)c1 409255457 KQKVJYJMQJAHKM-HZHRSRAPSA-N 453.542 5.483 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1OC 409317587 QLLOQWPPSBHGIA-LQNQUEJISA-N 488.971 6.243 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(Br)c2)cc1OCC 409323211 ZJNRWRIDXDOKJH-YUMHPJSZSA-N 497.389 5.589 50 40 JKGB COc1cc(/C=N/NC(=O)CNc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 409383401 XMTKERKCQXTHIM-UVHMKAGCSA-N 458.345 5.143 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(C)cc4)c(OC)c3)[nH]c2c1 409389887 AWCHNHQSRINLCX-GRSHGNNSSA-N 459.933 6.185 50 40 JKGB N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 1790413 KJQCBCHYCFPONY-YMGIJWJESA-N 473.985 5.083 50 40 JKGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1 2637289 DIAHTAZPHIATRI-ZCTHSVRISA-N 496.563 5.722 50 40 JKGB Cc1ccc(S(=O)(=O)n2cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)c3ccccc32)cc1 8861435 OPNNBEJWPIQQEA-NBVRZTHBSA-N 475.957 5.386 50 40 JKGB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C\c1cccc([N+](=O)[O-])c1 9137467 HHBXBPXWPLVSCP-YBEGLDIGSA-N 465.462 5.185 50 40 JKGB CC(/C=C/c1ccccc1)=N\NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 9312346 DESNOGRPZUKFEY-JNDKSOAWSA-N 498.568 5.140 50 40 JKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)cc1 10059240 UZXGJEQPGUJEJN-OPKDQHMBSA-N 453.586 6.041 50 40 JKGB N#C/C(=C\c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1nc2ccccc2s1 12599860 DUBWIRWHBQEEIN-ZBJSNUHESA-N 453.570 7.971 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)OCO3 12629242 RTJZSTFGGUDJSI-QHCPKHFHSA-N 492.318 5.391 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Cl)cc4)c32)ccc1OC1CCCC1 12951395 QGGQUJGEMGNHQI-OAQYLSRUSA-N 462.937 5.278 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1ccc(Cl)cc1Cl 13058099 CTXPHGSCYXIRHP-VCHYOVAHSA-N 497.334 5.825 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(I)c1OCC 15229384 ANCRNEPCZMQJEH-ZVHZXABRSA-N 488.325 5.006 50 40 JKGB CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)cc1 15980547 INTAMBBWVKNYTJ-NDWLXSOOSA-N 480.637 6.200 50 40 JKGB CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)cc1 20150245 LBXCXLPDTRAQTL-FXBPSFAMSA-N 476.602 5.294 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1F 35044630 ZVJHLBMNWWENMI-ZHZULCJRSA-N 473.504 5.096 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cccc(-n3cccc3)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 35105236 DCRADWQXIFHWTF-NTFVMDSBSA-N 486.597 5.287 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OCC#N 59336447 ZJMZIZSQJGXONX-JYRVWZFOSA-N 450.709 5.494 50 40 JKGB COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 59473341 VCKUIERPEVPEIL-DHRITJCHSA-N 489.822 6.167 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@@H]1C[C@@H]2[C@H](c3ccccc3)Nc3ccc(Cl)cc3[C@@H]2[C@H]1Cl 101147898 XZHNHHBEPYCAEN-DHMZULSFSA-N 471.409 7.287 50 40 JKGB CCN1c2ccc(/C=N/NC(=O)c3cc4cc(Br)cc(OC)c4o3)cc2C(C)=CC1(C)C 208502185 FOIUTJHQGVXFNS-MZJWZYIUSA-N 496.405 5.990 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(I)cc1)c1ccc(C(=O)O)cc1 408540587 AFDGSBGMTBCTTI-MOSHPQCFSA-N 481.289 5.633 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)c1 408746037 QJNZVAJQIWHJDP-ODLFYWEKSA-N 480.923 6.011 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1cccc(Br)c1 408761009 BVRMGYVNCYNCAX-WQLSENKSSA-N 472.682 5.816 50 40 JKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(I)cc3)o2)c1 408781474 AUSXXCZZSGBGIZ-ATVHPVEESA-N 498.320 5.884 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Cl 408787505 BAPWAYMCYOCOIR-LICLKQGHSA-N 487.770 6.780 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Br)c1O 408791644 AEPFDDJELWJKBV-WOJGMQOQSA-N 479.330 5.288 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc(C)cc1 408794021 HCBBXNBTYOTRCE-UDWIEESQSA-N 462.933 5.877 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1C 408809357 HKXSKAAULCIWFM-XQNSMLJCSA-N 466.968 7.235 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 408810462 JBWHLTDPJAEQIW-MTJSOVHGSA-N 462.933 5.160 50 40 JKGB O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)o2)cc1Cl 408817509 NKLANXBVPDPOJA-LQKURTRISA-N 458.901 5.580 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cc(Cl)cc(Cl)c1 408923535 JIRIGMCMDZWFPA-VIZOYTHASA-N 479.194 7.253 50 40 JKGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)c2C)cc1Cl 408945653 XINGHKJVAQXTJM-KBKYJPHKSA-N 493.778 5.152 50 40 JKGB Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c3ccccc32)cc1 408954648 SCXLYDRMNCBEQE-JLPGSUDCSA-N 458.565 5.745 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccccc1 408988396 DIFDYFRUVQSOGA-YGYFLSRZSA-N 467.610 5.315 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 409025248 SJQTWYRUIDTGOC-VFCFBJKWSA-N 498.048 5.395 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1 409057080 OUOUUHHMTSJQRE-XDHOZWIPSA-N 492.329 5.747 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OC)c1OCc1ccccc1F 409068615 BEXZEWDAILSKPI-HZHRSRAPSA-N 456.517 5.996 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Br)c1OCc1ccc(C)cc1 409138277 ZKBRVQKWHHNKBH-QFIPXVFZSA-N 495.373 5.160 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 409215119 WSHWZNFBCREEGL-WQRHYEAKSA-N 480.274 5.909 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3C)c(Br)c2)cc1 409261193 BTSORLDXKSJZNK-VYYCAZPPSA-N 494.389 5.156 50 40 JKGB Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)c1 409396764 AXLZSLNITITMBX-UHFFFAOYSA-N 487.559 6.435 50 40 JKGB Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(Cl)cc1 647866 XSCUTEYQQOSMGU-XMMPIXPASA-N 462.977 5.987 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1OCc1cccc2ccccc12 2143433 DRUUZZFHUITTKM-HKBQPEDESA-N 498.582 7.189 50 40 JKGB Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)c(C)c1 3232150 LKZMMUMOJHIRME-KGENOOAVSA-N 489.369 6.139 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 4196182 GIBYQTPGQQETIT-NDENLUEZSA-N 481.379 6.825 50 40 JKGB C/C(=N\NC(=O)c1cc(Br)ccc1O)c1ccc(OCc2ccc(Cl)cc2)cc1 8386319 UFFNEZSYHYSFGZ-AFUMVMLFSA-N 473.754 5.541 50 40 JKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccn(Cc2cccc(Br)c2)n1 8781374 AXQCYERBIRBEMI-LQKURTRISA-N 483.369 5.764 50 40 JKGB Cc1ccc(Cn2cc(/C=N/NC(=O)Cc3ccc(Br)cc3)c3ccccc32)cc1 9203299 ZEHOXOVNVCRXNP-JFLMPSFJSA-N 460.375 5.453 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 9905730 XHCXYOGHGBMQPN-PGGKNCGUSA-N 458.128 6.089 50 40 JKGB O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(I)cc1 10476137 UQMDZRYVTUXGBL-LSHDLFTRSA-N 485.108 5.622 50 40 JKGB O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)[C@@H](Br)Cc1ccccc1 11692871 CMLJHXNCPGCMTC-KRWDZBQOSA-N 480.225 5.441 50 40 JKGB Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccccc5)cc4)CC(=O)N3C2)cc1C 12251048 PAYRSULVKUSDQA-AREMUKBSSA-N 481.621 6.102 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1cccc(C(F)(F)F)c1 12565983 YNXOYVJHLQHGIF-STBIYBPSSA-N 495.530 5.586 50 40 JKGB O=C(NNC(=O)c1ccccc1Cc1ccccc1)c1ccc(COc2cccc3cccnc23)cc1 13134574 CRNKWPIWMBEDOE-UHFFFAOYSA-N 487.559 5.479 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1OCc1ccccc1 13388094 GCJAVUONDDEKCL-WOJGMQOQSA-N 497.429 5.747 50 40 JKGB Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 13586132 ACGDSPNFJQSCPK-ZMOGYAJESA-N 468.307 5.009 50 40 JKGB CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)sc2c1CCCC2 13658784 BSUIELPIGALVOF-HMMYKYKNSA-N 485.634 7.057 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1c(Cl)cccc1Cl 16439541 KIWJNPRHCNEBNG-DHZHZOJOSA-N 462.676 6.361 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1ccc(N2CCOCC2)cc1 16525435 NMCZJAVORPMNIZ-OQKWZONESA-N 480.543 5.211 50 40 JKGB Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 20086111 NZQJSTUFKNVWFW-OAQYLSRUSA-N 457.574 5.057 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCc1cccc(Cl)c1 20195232 HPJAYSBKHYKLKC-WKULSOCRSA-N 485.411 6.281 50 40 JKGB COc1ccccc1OCC(=O)N/N=C/c1c(Br)c(C)n(-c2ccc(C)c(C)c2)c1C 20243730 NKDWODPOMZDRTL-LGJNPRDNSA-N 484.394 5.011 50 40 JKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cc1 33792272 WXVJTJXMLQGCRL-HKWRFOASSA-N 450.498 5.102 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1cccc2ccccc12 59447323 DLKIPRXBLVQPJQ-OKCVXOCRSA-N 493.390 6.888 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 105065877 IBZHVTKQQRQDQJ-KKMKTNMSSA-N 493.774 5.764 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3c(O)ccc4ccccc34)o2)cc1 108975429 DCSLHGITJIEFQT-LQNQUEJISA-N 479.536 5.889 50 40 JKGB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](OC(=O)CCl)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@@]21C 119167370 JYFIEJVIHNYZAE-FUSYAKOJSA-N 463.146 7.868 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3cn(Cc4c(F)cccc4Cl)c4ccccc34)[nH]c2cc1C 408543489 PKHZTKSGIABJBW-LDADJPATSA-N 454.936 7.039 50 40 JKGB Cc1cccc(COc2ccc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)cc2Br)c1 408568359 SXTAFCKDCYANJL-ZDLGFXPLSA-N 462.322 6.416 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)c3cccc(C(F)(F)F)c3)c2C)sc2c1CCCC2 408776355 ZHDSWDDWUMQQLC-UNOMPAQXSA-N 484.543 6.904 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 408789950 SUYAQDFWKLJXET-HYARGMPZSA-N 490.987 6.571 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1cccc(F)c1 408794961 KPWSHDSHYJNSBA-CIAFOILYSA-N 478.951 6.565 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2Br)cc1C 408813616 OLKYBYJIGJWOHE-YDZHTSKRSA-N 489.413 6.807 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCc1ccccc1C#N 408814431 PLJRFRSTNDGNEI-IWIPYMOSSA-N 481.527 5.949 50 40 JKGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OCC 408833608 RXJTXXYFCDPLMX-CJLVFECKSA-N 486.955 5.875 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Br)C(=O)Nc1cccc(Cl)c1 408866914 KAEFIMFZMBNPBW-WOJGMQOQSA-N 486.196 6.892 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2cccc(F)c2)c(Br)c1 408877418 RMKOOROICXAJNB-FYJGNVAPSA-N 463.350 6.287 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Br)c1OCC 408898598 XHLFPZNJDBLBDG-OVCLIPMQSA-N 474.311 5.009 50 40 JKGB O=C(N/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1 408963354 NKLHVXDOYFEDJX-XKJRVUDJSA-N 497.351 6.189 50 40 JKGB Cc1cccc(COc2ccc(/C=N/NC(=O)c3ccc(C#N)cc3F)cc2Br)c1 408966969 OLAPDUBYSIEYMI-UVHMKAGCSA-N 466.310 5.111 50 40 JKGB CCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(C)cc23)c2cccc(C)c21 409031207 GUWUQFKKRGUDNG-KYHGBAKBSA-N 495.026 7.219 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1F)C(=O)Nc1ccc(Cl)cc1 409047517 OEEKCXQJEQTKGB-CXUHLZMHSA-N 475.734 6.911 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1cccc(F)c1 409229187 KXAPLMZHJBQIPD-WKIKZPBSSA-N 489.316 5.008 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 409247790 NWBPGAMDFMVOLE-QLTNSANVSA-N 495.406 6.755 50 40 JKGB N#C/C(=C\c1cccc(OCC(=O)Nc2ccccc2Cl)c1)C(=O)Nc1ccccc1Cl 409261553 CZCXNPNBWIBXHL-SFQUDFHCSA-N 466.324 5.557 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)cc1OCC 409317887 WLPHNTPYVVBDBP-QRQIAZFYSA-N 466.965 5.870 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)c1cccc(F)c1 409394074 VFWIHLWJVCBPON-MFOYZWKCSA-N 477.160 7.538 50 40 JKGB Clc1cccc(P(c2ccccc2)c2ccccc2)c1C1=N[C@H](Cc2ccccc2)CO1 1857775636 YKKZTRJLFJYJDL-JOCHJYFZSA-N 455.925 5.486 50 40 JKGB N#CC1=C(N)OC2=C(CCC/C2=C\c2c(Cl)cccc2Cl)[C@@H]1c1c(Cl)cccc1Cl 2111010 VADFOVBANLKNIZ-XETPZZHUSA-N 478.206 7.629 50 40 JKGB O=C(Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 3168217 RDKPLFABLUEYAU-JFLMPSFJSA-N 473.872 5.385 50 40 JKGB O=C(N/N=C/c1ccc(Br)cc1)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1 4062617 WICATTDUTWIQBC-AFUMVMLFSA-N 477.387 6.080 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)c1nnc(NC(=O)c2ccccc2)s1 6446042 OXRWVPOSCDHXLU-XSFVSMFZSA-N 495.995 6.511 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc(Cl)c1OCc1ccc(F)cc1 8811159 DYPPAGYYGLFKAM-CCVNUDIWSA-N 486.927 5.238 50 40 JKGB CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C2CCCCC2)cc1 8927180 WKOGSLFNGPQJGV-JVWAILMASA-N 497.068 5.412 50 40 JKGB N#C/C(=C\Nc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 9059292 UFHXFQRNUIHJMW-FMIVXFBMSA-N 450.829 6.367 50 40 JKGB Cc1ccc2nc(/C(C#N)=C/c3cc(Cl)c(OCc4ccc(C(=O)O)cc4)c(Cl)c3)[nH]c2c1 9263492 YFZHGNHMLDONPG-GIJQJNRQSA-N 478.335 6.520 50 40 JKGB Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(-c2ccccc2)cc1 9311003 BGADTRMKGJJWSK-XSVYLIDLSA-N 499.614 6.147 50 40 JKGB CCCCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCc3ccccc3)N(c3ccccc3)C2=O)cc1 12273767 FEQOLZOWRZRLTK-VOEFLUBFSA-N 495.648 5.772 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(CC)cc3)cs2)sc(C(=O)OC)c1C 13749974 ACTZYPVPVGGPKL-ATVHPVEESA-N 481.599 5.682 50 40 JKGB COC(=O)N/N=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 13940022 MDVAFAILEXLKJE-ODCIPOBUSA-N 462.127 5.033 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)c(C)n1-c1ccc(Cl)cc1Cl 28215996 VTWRGWJZLIBGIS-KBKYJPHKSA-N 480.848 6.438 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)c1ccc(C(=O)O)cc1 34838425 QLDAGQABYRJZTH-NVMNQCDNSA-N 486.724 6.583 50 40 JKGB Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 59245213 GGQZDWJHYPBVGV-YBFXNURJSA-N 470.878 6.792 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 59281712 ZUWLVBALCBWMKT-LICLKQGHSA-N 468.296 6.026 50 40 JKGB C=CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 59336554 XVVJJFNVMUOYJR-AQTBWJFISA-N 457.357 6.231 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCc1ccc(F)cc1 59435274 QQIUZRDWHZNAFM-RPPGKUMJSA-N 491.744 5.593 50 40 JKGB CCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F 103528590 NDIDPYZCJQDJHR-GOSISDBHSA-N 498.402 9.249 50 40 JKGB CC(=O)c1cccc(-c2ccc(C=NNC(=O)N/N=C/c3ccc(-c4cccc(C(C)=O)c4)o3)o2)c1 257345314 BNBADTOSDLPYFD-GJQIEGAISA-N 482.496 5.279 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1 408580904 FFPHZFWSSAPNRA-GZTJUZNOSA-N 470.403 6.487 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)c(Cl)c1)c1ccc(Cl)cc1Cl 408581068 UAQWMZPLHQHQCQ-UDWIEESQSA-N 464.779 8.443 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccccc1Cl 408586428 BZBWINGEFUEYOB-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB C/C(=N\NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 408786151 FRJAARLBTTZDEI-LUJVFJMUSA-N 485.653 5.912 50 40 JKGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 408788572 DOJPWSPOTGFFOB-XNTDXEJSSA-N 461.743 5.612 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1cccc2ccccc12 408809030 HIXWQPDXRJAYDS-ONUIUJJFSA-N 492.575 6.049 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1Cl 408813351 PHXINSLYBQQSLE-FOWTUZBSSA-N 498.366 6.669 50 40 JKGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1OC 408831237 OYSWPJNCMKAFFA-FYJGNVAPSA-N 476.960 6.180 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(Br)cc1OC 408860052 XOHHPNBEIWBEKS-YVNNLAQVSA-N 496.155 5.129 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3Br)ccc3ccccc23)cc1C 408872409 MSXAQMCTKKKBDR-JJIBRWJFSA-N 495.420 7.356 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cc(C)cc(C)c1 408889827 JOYNBEFFZXNEHR-YDZHTSKRSA-N 474.988 6.789 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Br)c(Cl)c1)C(=O)Nc1ccc(F)cc1 408891251 NMRDTLSQJBUWRP-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 409134179 NAUXUWBSYSMGRU-UBXTYJAUSA-N 482.005 5.297 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Cl)cc1 409219311 LDWDEGIQOYPZHM-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl 409221032 JQMQTQQMTQHGGE-WKIKZPBSSA-N 461.320 5.413 50 40 JKGB N#C/C(=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)NCCCc1ccccc1 409232211 OYRAPHPUXCSHHP-QJOMJCCJSA-N 464.525 5.254 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1 409259043 YZQUYRGCFKEYGP-PXLXIMEGSA-N 499.567 5.274 50 40 JKGB N#C/C(=C/c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12)c1cccc2ccccc12 409315137 HXKBUOBMPACFGN-RGEXLXHISA-N 451.888 7.432 50 40 JKGB COc1ccc2ccccc2c1/C=N/NC(=O)CSc1nnc(SCc2ccccc2)s1 1824559 QNXUYRBNRFJHQD-ZMOGYAJESA-N 480.640 5.235 50 40 JKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3I)n2)cc1 2282047 GKQRAEAJXOPKNS-FOWTUZBSSA-N 457.340 5.954 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc2n1Cc1ccccc1Cl 15012560 PETFVDKXHHGXNE-UYRXBGFRSA-N 460.364 6.851 50 40 JKGB CC1(C)[C@H](c2nc3ccccc3[nH]2)CC[C@@]1(C)C(=O)N/N=C/c1ccc(Br)cc1 16740805 KOYLXBQSRCOEFD-ZNAWXXFOSA-N 453.384 5.386 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(I)cc3)cc2)c(C)c1 20195047 DMUASUIKECVHFW-CVKSISIWSA-N 498.364 5.180 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)COc3ccccc3)c2C)c(C)c1 20243705 HDXWFTKKGYGLTR-DHRITJCHSA-N 454.368 5.003 50 40 JKGB CCOc1cc(/C=N\NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccco1 30738536 YFUPGVWZDDSBPC-KBJHCALZSA-N 474.557 5.449 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1ccc(F)cc1 35124732 OLUTWOYHNRGNES-ODLFYWEKSA-N 461.924 6.706 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 40846818 ILUNTUUDUZGRPY-LGJNPRDNSA-N 459.329 5.110 50 40 JKGB COc1ccccc1-c1cc(C(=O)NN=C2CCN(CCc3ccccc3)CC2)c2ccccc2n1 55082704 NVNGDJZNPGZCPK-UHFFFAOYSA-N 478.596 5.335 50 40 JKGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@H](Br)C2=O 100834646 NGZWVRXNRXLQKS-YGOYIFOWSA-N 488.809 5.668 50 40 JKGB Cc1cc(C)c(/N=C(\O)CSC2=C(C#N)[C@@H](c3ccc(C)o3)C3=C(O)CCCC3=N2)c(C)c1 103698440 VONMTJQDPKAWNW-QHCPKHFHSA-N 461.587 6.804 50 40 JKGB CCOc1cc(/C=C(/C#N)C(N)=S)cc(Br)c1OCc1ccc(Cl)cc1Cl 107615636 FIPSYBSQAQWVLO-ACAGNQJTSA-N 486.218 5.927 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 207156798 BOYVFECPFXPBSQ-WBRURWICSA-N 451.353 6.357 50 40 JKGB O=C(N/N=C(\COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1)c1ccccc1 408734041 FTNZVZCGSWAMNA-UUDCSCGESA-N 464.609 6.368 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1ccccc1C#N 408745343 LXNDRSSSPBQIRQ-HMAPJEAMSA-N 453.498 5.090 50 40 JKGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccccc1OCc1cccc2ccccc12 408752764 JZGOWCYZAQPIKT-KBVAKVRCSA-N 462.471 6.130 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)C(=O)Nc1ccc(O)cc1 408789469 JLEJRHDBMGNFQK-LPYMAVHISA-N 499.364 6.433 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccccc1F 408814313 SMNHRZSWVPABMV-SXGWCWSVSA-N 475.734 6.911 50 40 JKGB Cc1cccc(COc2ccccc2/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1 408820130 VKLYWDIQEXBOQZ-WGARJPEWSA-N 463.331 5.847 50 40 JKGB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)N/N=C/C=C/c4ccccc4)cc3)sc2c1 408838896 JVCXODPWRVMPCW-OZEOTOAESA-N 473.985 6.544 50 40 JKGB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)NNC(=O)c4ccc(Cl)cc4)cc3)sc2c1 408842361 JJEUEWHGKPTGSO-UHFFFAOYSA-N 498.391 5.844 50 40 JKGB COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)o2)c1 408846498 KDNXAKUCZQPRII-LCYFTJDESA-N 475.715 6.239 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(C)c1OCc1ccc(Br)cc1 408849915 ATXFIUUVFXCOKC-OEAKJJBVSA-N 475.386 5.868 50 40 JKGB COc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Cc1ccccc1 408850854 SGXVMPSVIQKHTG-XSVYLIDLSA-N 499.614 6.816 50 40 JKGB Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cc(C(=O)O)cc(C(=O)O)c4)c3C)[nH]c2cc1C 408857445 OETQFGNXPDFDFA-ZBKNUEDVSA-N 454.486 5.048 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Br)C(=O)Nc1ccccc1 408865223 CFJROYWBSTWCLS-CPNJWEJPSA-N 496.202 6.348 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 408884484 YDIONWJGJPXSNK-UDWIEESQSA-N 481.379 6.689 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)c(Cl)c1 408900148 SYPWLZHDBDEUPD-CXUHLZMHSA-N 455.301 5.855 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccccc1-n1cccc1 408924045 NATJSFCFWOLMHD-WPWMEQJKSA-N 474.358 5.583 50 40 JKGB Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)N/N=C\c3c(C)[nH]c4ccc(C)cc34)c2c1 409033710 OYWXJAOGYDANGV-MNDYBZJGSA-N 466.972 6.726 50 40 JKGB CCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)c2cccc(C)c21 409037372 NGTXWRUJAYGKLI-MNBJERMJSA-N 476.580 6.266 50 40 JKGB CCOc1c(Cl)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Cl 409038143 OQKMGJWFWDUTQT-MBTHVWNTSA-N 464.352 6.371 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1 409068660 URQGLJLRWCVXFG-OBGWFSINSA-N 482.945 5.052 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)c(Sc3nc(C)cc(O)n3)o2)c1 409100655 VZXBRZUHLATADM-RIYZIHGNSA-N 485.363 5.160 50 40 JKGB Cc1ccc(COc2ccc([C@H]3C(C#N)=C(N)Oc4cc5c(cc43)OCO5)cc2Br)cc1 409104325 CVIYRAZYBKVQBO-XMMPIXPASA-N 491.341 5.283 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccccc1C 409273237 WMIIOJVKBLPVHR-JCMHNJIXSA-N 469.541 5.265 50 40 JKGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(C(F)(F)F)c3)=C2C#N)cc1Cl 409321722 JBOUUAROQZWYFT-HNNXBMFYSA-N 495.910 5.078 50 40 JKGB Cc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Br)cc1 409391009 GTDTZMDKBCBUDF-RDRPBHBLSA-N 486.413 6.139 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Br)c1OC(C)C 409391515 JLXWPXIDGVSUQP-NVNXTCNLSA-N 456.340 5.584 50 40 JKGB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C/c1ccccc1OC 1247081 YEVBBURVOGUJHI-SFQUDFHCSA-N 450.491 5.285 50 40 JKGB Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)(F)[C@H](F)Cl)n2)cc1C 1745875 YGFFXSKHGPSDAJ-HZBHDWBUSA-N 463.912 6.910 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cccc([N+](=O)[O-])c1 2301791 BKACWUUVISXIBD-WYMPLXKRSA-N 481.306 5.275 50 40 JKGB C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2Cl)cc1 2672716 BUXCGBZAEJZHAB-HAVVHWLPSA-N 494.982 5.981 50 40 JKGB COc1cc(C(=O)N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc(OC)c1OC 3248985 VZFJRXDUABOMKN-TWKHWXDSSA-N 481.552 5.946 50 40 JKGB N=C(CSSCC(=N)NCC12CC3CC(CC(C3)C1)C2)NCC12CC3CC(CC(C3)C1)C2 5217834 OULNLBKZTPZSEI-UHFFFAOYSA-N 474.784 5.934 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCCOc2c(C)cccc2C)cc1 9553780 AGCIBJZKPBKJFQ-FYJGNVAPSA-N 495.406 6.922 50 40 JKGB CC(C)Sc1nnc(N2C(N)=C(C#N)[C@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)s1 12401694 XWJRAQLYJOBDDG-INIZCTEOSA-N 457.650 5.041 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccc1F 13063191 YEBNHTNTVHIEQB-UXHLAJHPSA-N 454.501 5.748 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)[C@@H](C)Sc3ccccc3)c2C)cc1 20243734 LBVKNCNEXNNIFQ-VBYICHLGSA-N 470.436 5.796 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 26786578 AADRPBMIPJYSCJ-XFXZXTDPSA-N 496.932 5.093 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)cc2)sc2c1CCCC2 33923600 HLHXOYUZROZWAS-PGMHBOJBSA-N 486.593 5.928 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117497 LVVWMGKIHMCTPN-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 59292090 HLYXJTZEOCILCC-RIYZIHGNSA-N 483.284 5.811 50 40 JKGB CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)cs1 71805674 PZVDYQCZZLXARF-YVLHZVERSA-N 462.987 6.669 50 40 JKGB CCCCCCCCCCCCCCCCCC(=O)NNC(=O)Nc1ccc([N+](=O)[O-])cc1 104380296 APLVJXODOJWFSV-UHFFFAOYSA-N 462.635 7.009 50 40 JKGB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@]4(C)CC(=O)[C@H](Br)C[C@]4(C)[C@@H]3CC[C@@]12C 299754820 VJESLMVYXPLTHU-SPCFDUGLSA-N 479.587 8.440 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1cccc(C(=O)O)c1 408566911 BKSHFBTVAFOLOA-NVMNQCDNSA-N 491.906 6.095 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1Br 408581648 YJQCETFKARMCAO-RIYZIHGNSA-N 451.545 5.941 50 40 JKGB CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc1OCC 408726140 QACOOKXSLFSVBT-PDGQHHTCSA-N 457.368 5.745 50 40 JKGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br 408745504 NACKXYOUIGPZHH-JYRVWZFOSA-N 494.570 5.423 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(Cl)c1 408753389 MIPAHFAUGNOXFF-SFQUDFHCSA-N 466.324 5.557 50 40 JKGB CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 408785234 VCZXYLQINQOCAG-CHHVJCJISA-N 496.174 5.361 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(F)cc1 408795740 NACUTQBUVUCRHP-RGVLZGJSSA-N 464.924 6.229 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1 408799935 JMCAUNLDIXOZEX-KMYAOZERSA-N 453.973 6.436 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1Cl 408801587 WESGQCUFOSCNOZ-KGENOOAVSA-N 487.386 7.580 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2c(C)ccc3ccccc23)cc1 408809381 HAHTVXVWOBCNGK-JJIBRWJFSA-N 492.575 6.680 50 40 JKGB O=C(N/N=C/c1ccc(F)cc1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 408847067 SKAZRHLNAWAPAZ-LGJNPRDNSA-N 451.910 5.710 50 40 JKGB O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1 408847917 VVFOESMXDDOECU-UXHLAJHPSA-N 497.938 5.575 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Cl)cc1Cl 408849760 YSPYUIBLVJJFFH-MUXKCCDJSA-N 483.351 6.481 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(C(=O)O)cc1 408853454 SQXLZYOUIXBKJA-ROTLSHHCSA-N 480.318 5.065 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(Br)cc1OCc1ccccc1 408859447 WXLFWUHCPXDINY-XDHOZWIPSA-N 495.348 6.112 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)Nc1ccccc1F 408866445 FVOFYZUDMBJPNS-GZTJUZNOSA-N 451.841 5.512 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1C 408926580 XBTPMFYGSQPHHO-RGVLZGJSSA-N 491.931 6.080 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCC#N 408982624 INBONVFIWTUGLQ-OQLLNIDSSA-N 474.742 5.258 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Br 409047568 OKQLRFXIYMUKMS-MDWZMJQESA-N 461.157 5.941 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OCC)c1OCc1ccc(F)cc1 409078957 JMULUITWWZIILZ-XQNSMLJCSA-N 456.517 6.078 50 40 JKGB Cc1ccc(COc2c(Cl)cc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2Cl)cc1 409137398 WFWBAWRLEQLEQS-OAQYLSRUSA-N 455.341 5.696 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 409179877 OXLCJMRLSZRKSH-WKULSOCRSA-N 485.411 6.281 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)NC1CCCC1 409189544 HRUNNTHLLRYMHY-HKWRFOASSA-N 475.386 6.147 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)[C@@H](O)c1ccccc1 409264087 JOUPRYVLSMXGJX-LWVVSQLESA-N 452.341 5.180 50 40 JKGB CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(C(F)(F)F)c3)=C2C#N)cc1 409325011 VXNJSMMBLIDDCN-QGZVFWFLSA-N 477.533 5.138 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 1767409 PFFSYHYVSWBNNY-SFQUDFHCSA-N 490.928 6.101 50 40 JKGB O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 3218607 IHDQNCUWRXXQBN-AFUMVMLFSA-N 475.302 5.336 50 40 JKGB N#CC1=C(N)Oc2c(sc3ccccc23)[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 3230006 NPKYOVWUTFJNAB-NRFANRHFSA-N 452.564 6.034 50 40 JKGB N#C/C(=C\Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 9065107 XDGWJCSBJDXKDZ-NBVRZTHBSA-N 459.933 6.810 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(F)cc1 9259166 RDZPTBOPFRVOIO-XFXZXTDPSA-N 477.742 6.531 50 40 JKGB O=C(N/N=C1\C(O)=Nc2ccc([N+](=O)[O-])cc21)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 9562037 HTIIUFUDMRDLKR-UHFFFAOYSA-N 471.860 5.199 50 40 JKGB Cc1cc(C)cc(OCC(=O)N/N=C\c2cc(/N=N/c3cccc4ccccc34)ccc2O)c1 12859609 DCXGBSZQEIJWIU-SPNMRACUSA-N 452.514 6.107 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1 13660985 UCJSQLXOICPSGB-ZIQTWHDPSA-N 467.594 5.677 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2cc(/N=N/c3cccc(Br)c3)ccc2O)cc1OC 18163553 FGZVHDQXFNHBCA-VEVCQMGESA-N 497.349 5.280 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@@H]1c1ccc(C)cc1 20080607 RDENSMPYRACRGB-DEOSSOPVSA-N 494.016 5.446 50 40 JKGB Cc1cccc2c(-c3ccccc3)c(-c3ccccc3)n(CCC(=O)N/N=C\c3ccccc3O)c12 26571023 KROAACRQXHONLQ-QXPFVDMISA-N 473.576 6.530 50 40 JKGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC 83314755 NCBYPWHWBXRXEC-ZMFRSBBQSA-N 459.329 5.354 50 40 JKGB CCCCCCCCCC(=O)Nc1ccc(C(=O)N(NC(=O)c2ccccc2)c2ccccc2)cc1 98001390 UZSPFKFNVZNLTO-UHFFFAOYSA-N 485.628 6.758 50 40 JKGB biogenic Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](C)CC(C)(C)N2C(C)C 223606410 YMYQIWLUBBZICO-KLSKMWHSSA-N 470.444 7.348 50 40 JKGB CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1OC 408538947 RWYROHJASWKNJT-QQXSKIMKSA-N 451.592 5.850 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)c1ccc(C(=O)O)cc1 408540559 ABBKELIYSSYMFN-OYKKKHCWSA-N 484.349 6.944 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)Nc1cccc(C(=O)O)c1 408543681 SAZUJCCTHPCCEJ-IWIPYMOSSA-N 471.516 6.087 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)c1ccc2ccccc2c1 408549794 ZCNFSIYGIVMNDI-IWIPYMOSSA-N 487.340 7.088 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 408552336 RRAKOEDNFNNKAU-XDHOZWIPSA-N 484.537 5.531 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)c1nc2ccc(F)cc2[nH]1 408566908 BKRZVQBZOXRGSK-DHDCSXOGSA-N 464.859 5.576 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2Cl)cc1Cl 408578778 AUAUOHIJLIBWIL-VCHYOVAHSA-N 471.771 7.037 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc(F)c1)c1ccc(Br)cc1 408579559 HVBIBHPZIZPWPW-WOJGMQOQSA-N 487.166 6.994 50 40 JKGB N#C/C(=C\c1cc(Br)c(O)c(Br)c1)Sc1nc2ccccc2[nH]1 408598878 KRBWGVVYLDVUGU-BJMVGYQFSA-N 451.143 5.450 50 40 JKGB CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(C(C)(C)C)c1O 408790657 XOMBLQYUJHSHQR-XQNSMLJCSA-N 482.624 7.112 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC#N)c(Br)c2)cc1 408798243 VNMKAPCSOVPPOC-OQLLNIDSSA-N 489.167 5.222 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)Nc1ccccc1Cl 408803874 UGOBQYRNGKPDMX-LICLKQGHSA-N 457.744 6.771 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)c(OC)c1 408823865 FRWBJCCJWSXRMA-CPNJWEJPSA-N 493.357 5.591 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1 408887358 PZNFLHOLNONLAG-HAVVHWLPSA-N 494.522 6.280 50 40 JKGB Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nc3cccc(I)c3)c2)cc1 408893342 FBOPFGDRZHZJQA-UDWIEESQSA-N 494.332 5.724 50 40 JKGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)c(Br)cc1OCc1ccccc1 408911886 KWTBMNYVSFHDIN-MZJWZYIUSA-N 497.389 5.183 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OC)c1OCc1ccc(Cl)cc1 408966545 MCKFYBQSIJZPJJ-FJEPWZHXSA-N 477.923 5.431 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccc2ccccc2c1 409051486 DJBIGJXARUMXAZ-MUFRIFMGSA-N 458.945 6.153 50 40 JKGB CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2cccs2)CC(=O)N1 409131228 MMZHYIKSNYWIOK-HNNXBMFYSA-N 490.448 5.092 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1ccc(C)cc1 409189672 MRFMGPYEDWYUEO-ODLFYWEKSA-N 469.379 5.311 50 40 JKGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)o2)ccc1Cl 409216224 GHDAWZUGRKNIKN-WKULSOCRSA-N 486.911 6.440 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1OCC 409314302 FPEVZLMOMPWNFW-PKAZHMFMSA-N 477.517 5.125 50 40 JKGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1 409359962 CRBQWEJLNWGVQI-LGJNPRDNSA-N 472.770 5.244 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc4c(c3)OCO4)c2[C@H]1c1ccccc1OCc1ccc(Cl)cc1 664421 DIDFUKBBXLBNSO-QHCPKHFHSA-N 498.926 5.256 50 40 JKGB Cc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccccc2)cc1C 832023 ZXVUFFGNBLKTLI-UHFFFAOYSA-N 469.651 5.207 50 40 JKGB CCOc1ccccc1N[C@H](c1ccc(OC)cc1)P(=O)(c1ccccc1)c1ccccc1 1744079 MQPCULPBSNHQSD-NDEPHWFRSA-N 457.510 6.219 50 40 JKGB CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 2553543 DEATYYNYIYBQAJ-GZTJUZNOSA-N 472.397 6.374 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1cccc([N+](=O)[O-])c1 9261821 QKYPJOAZYFFFSM-XDHOZWIPSA-N 461.449 5.257 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(I)o1 9262412 XKEPHMTWYUVEKC-RUDMXATFSA-N 491.510 5.154 50 40 JKGB CCCCCCOc1ccc(/C=C/C(=O)Oc2cccc(/C=C(\C#N)C(=O)OCC)c2)cc1OC 27563877 NRRLGTXGLIFBBQ-LRXQLKOGSA-N 477.557 5.743 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)cc1 59146117 YDUKTVYNJROMES-LNVKXUELSA-N 472.342 5.220 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1 59201229 WNKQPEHEDQTPPZ-XMHGGMMESA-N 486.369 6.006 50 40 JKGB CCCCCCCCc1csc(C(=O)NNC(=O)c2cc(CCCCCCCC)cs2)c1 68568867 AAQJASSPVDBNDH-UHFFFAOYSA-N 476.752 7.690 50 40 JKGB C#CCOc1c(I)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OC 408579632 IVWXHSWDKFHKPW-OQLLNIDSSA-N 494.126 5.138 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc(Cl)cc3Cl)cc2)cc1Cl 408581624 XZMQBCASJXWJLK-LICLKQGHSA-N 471.771 7.037 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccc(C)cc1 408725241 KEMFEAOYEZJRNF-MTJSOVHGSA-N 491.385 6.199 50 40 JKGB COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2cccc(C)c2)n1 408725863 QJBWYWUZBFVIER-RUMWWMSVSA-N 486.575 6.287 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)ccc1OCc1cccc2ccccc12 408763788 OWSRBIJWPOSFCM-UQQQWYQISA-N 490.559 6.566 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccc(Cl)cc1 408783083 JVHXGYBTHDBXEJ-PXNMLYILSA-N 463.759 5.122 50 40 JKGB C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1 408787914 AVMCWKYMHNAWNQ-ZTKZIYFRSA-N 495.620 5.167 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1 408792284 AFHNKPSBTCIKOH-FYJGNVAPSA-N 491.385 6.281 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)c1C 408795293 LLINJIBAHZWLIT-KOEQRZSOSA-N 455.561 7.005 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1 408802839 IBWAYFGHKLCSQG-JJIBRWJFSA-N 476.532 6.060 50 40 JKGB Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 408805350 AIYKYIJOIBAESN-UDWIEESQSA-N 451.353 6.735 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1Cl 408806546 BETHMRBKSOYQON-LFIBNONCSA-N 498.366 6.669 50 40 JKGB N#C/C(=C\c1c(Cc2cccc(F)c2)ccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 408871038 VGWZIOBSCLTDML-RCCKNPSSSA-N 451.457 6.024 50 40 JKGB N#C/C(=C/c1cc(Br)c(I)o1)c1cccc(Br)c1 408955131 WONCPBWOWMGLCC-UITAMQMPSA-N 478.909 5.473 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(C(C)(C)C)cc1 408966982 OOQXVKKHXXIPMK-MUXKCCDJSA-N 472.416 6.228 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 408982123 GBKJQZJXANVJEM-UYRXBGFRSA-N 470.916 6.105 50 40 JKGB COc1cc2c(cc1/C=N\NC(=O)c1ccc(-c3csc(Nc4ccc(C)cc4)n3)cc1)OCO2 409052324 RVVYNZCYDIIXTN-WKIKZPBSSA-N 486.553 5.363 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc5ccccc5c4)c(OC)c3)cc2c1 409186362 AWTDHZQUNCGEPG-MNBJERMJSA-N 494.547 6.336 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(OC)c(O[C@H](C)CC)cc3Br)cc2c1 409186883 JBJNZNKSFPUICL-VLKICEKPSA-N 489.366 5.544 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)C(=O)NC1CCCC1 409191984 RQAHSYPKXPHSHF-HMAPJEAMSA-N 475.386 6.147 50 40 JKGB Cc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1 409222365 BZFHQONCMQMXFU-MWLSYYOVSA-N 491.975 5.616 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1 409222909 FDONJBNBSGBOEU-SFQUDFHCSA-N 496.350 5.565 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1C 409250962 OCEJAKQRZLVFBR-LPYMAVHISA-N 473.960 5.198 50 40 JKGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 409366807 YPWGGYAQDHBSEK-XKJRVUDJSA-N 485.802 6.212 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 409369938 HYFCKFRULRTAKE-JAIQZWGSSA-N 484.383 6.067 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3C)C(=O)N2c2ccc(C)cc2)cc1 935035 ZNLHRHBTFXMODL-UZEPBSNMSA-N 467.594 5.677 50 40 JKGB COc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3Cl)N(c3ccccc3)C2=O)cc1 2336243 SYRMFWINOJYXLC-BDPHVXEFSA-N 489.984 5.414 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(I)cc3)c2C)cc1Cl 10118557 XVOBAESMDURTCC-WYMPLXKRSA-N 491.760 5.424 50 40 JKGB CCOCCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 12659649 IVDYKBVFQBAQOO-NLRVBDNBSA-N 470.569 5.294 50 40 JKGB Cc1cccc(OCCOc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2Br)c1 13881185 TZXYZVXMLCGSJB-CPNJWEJPSA-N 481.346 5.032 50 40 JKGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2ccc3ccccc3c2)=C(C#N)[C@H]1c1ccc(C)cc1 16974723 ALMSSVLBODOHOG-DNQXCXABSA-N 485.565 5.098 50 40 JKGB COc1cc(/C=N/NC(=O)CCl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 28217944 LMNQQGPFDVBEPO-GZIVZEMBSA-N 480.573 5.032 50 40 JKGB C/C(C=O)=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O 38658474 PIOYBULRRJNPSG-GPEQXWBKSA-N 454.695 6.837 50 40 JKGB biogenic,in-vitro Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1F 59297156 ISMMGMDDFRAFTO-VCHYOVAHSA-N 499.767 6.675 50 40 JKGB Cc1ccc(-c2nc(/C(C#N)=C\c3ccccc3[N+](=O)[O-])sc2NC(=O)c2ccco2)cc1 102862924 NJVXGDUTOMQCTL-AQTBWJFISA-N 456.483 5.936 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3nc4cc(C)ccc4[nH]3)cc2Cl)cc1 107726634 VCMJKONVGIBKBV-UNOMPAQXSA-N 456.933 5.915 50 40 JKGB CC(C)(C)OC(=O)N[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1 169840673 GRNRPZDCHUOWOJ-HZPDHXFCSA-N 474.468 5.490 50 40 JKGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)COc3ccc(Br)cc3)cc21 208465015 UWRARVQMJNCAEK-BRJLIKDPSA-N 476.802 5.263 50 40 JKGB CCCCC/C=C\C[C@H](Cl)[C@H](Cl)CCCCCCCC(=O)[C@H](C(=O)O)[C@@H](O)C[N+](C)(C)C 263583738 WZOYZEOQYHNNJM-OVEWQFTMSA-O 495.552 5.796 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408528256 HFIXJSOZULMCAR-YPXUMCKCSA-N 456.251 5.834 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408584014 ZIYXNEXQAWBOHU-UDWIEESQSA-N 454.353 7.044 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(Cl)cc1 408598900 KTVCUCWVXJQEQQ-OKCVXOCRSA-N 493.390 6.888 50 40 JKGB CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1Br 408760673 CVDXUENZTKYVCH-ODCIPOBUSA-N 494.998 5.681 50 40 JKGB COc1ccccc1C(=O)N/N=C/c1cc(C)c(OCc2ccc(Cl)c(Cl)c2)c(C)c1 408856541 QIAVOIXISPHNIT-UVHMKAGCSA-N 457.357 5.962 50 40 JKGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 408860113 SHFXJRVCABTQGA-LGJNPRDNSA-N 459.398 5.956 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2o1 408905361 XVFWKVMYMZNJCS-ZRGSRPPYSA-N 484.295 5.991 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2cccc(F)c2)c(Cl)c1 409052581 KUVSXQDNJZNZSW-RPPGKUMJSA-N 475.745 5.893 50 40 JKGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Br)c3)c2C)cc1Cl 409065466 SMALHOZSOVUYPC-WYMPLXKRSA-N 460.759 5.283 50 40 JKGB O=C(COc1ccc(Cl)cc1)N/N=C\c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 409110516 DHVUWILGRHLNSJ-MSXFZWOLSA-N 476.341 5.582 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccccc4)c(OC)c3)cc2c1 409187843 UZNWWPDODBQQBT-MBTHVWNTSA-N 478.932 5.836 50 40 JKGB Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)c2C)ccc1Br 409250591 RESCDXMVYHZDKO-QWQBBLJPSA-N 462.391 5.949 50 40 JKGB COc1cc(/C=N/NC(=O)CNc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409383385 XDUNIRNRRCKTHE-KVSWJAHQSA-N 492.790 5.797 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)ccc1OCc1cccc([N+](=O)[O-])c1 409391164 HMMLXTWULYHALC-ODLFYWEKSA-N 470.485 5.522 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1C#N)C(=O)Nc1ccc(O)cc1 1410916 KSIOPGOHYNHBDZ-YBFXNURJSA-N 474.314 5.151 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cccc([N+](=O)[O-])c1 1453967 MKFLZYIVBJGVCL-XYOKQWHBSA-N 461.783 6.073 50 40 JKGB CC(C)NC(=O)OCCN=C1c2ccccc2[C@H](Br)[C@@H](Br)c2ccccc21 1643743 GEDQZXAQISYCPQ-OALUTQOASA-N 494.227 5.544 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)ccc1OCc1c(Cl)cccc1Cl 2077296 HOZQPLABIHJDBB-MZJWZYIUSA-N 473.356 5.744 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)c(C)c3)nc3ccccn3c2=O)cc1 2414460 SPQBLORDMYBGAR-NBVRZTHBSA-N 470.916 5.303 50 40 JKGB Cc1cc(C)c([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(F)cc1Cl 2730533 PBROHSRWLHJUEW-RLWLMLJZSA-N 486.978 6.269 50 40 JKGB COc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 3169646 XBXWPWCANFRGAI-VULFUBBASA-N 475.427 5.701 50 40 JKGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1)c1ccc(Cl)cc1 3239367 HVDQHXNTPYSIOG-CCVNUDIWSA-N 466.875 5.558 50 40 JKGB CCOC(=O)C1=C(CSc2cccc(Cl)c2Cl)OC(N)=C(C#N)[C@@H]1c1ccc(C)cc1 8768109 LAGSYWOFSKRTFS-IBGZPJMESA-N 475.397 5.719 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)C(=O)Nc1cccc(Br)c1 8780970 UZLKZDBBLQFYJA-ODLFYWEKSA-N 477.314 5.272 50 40 JKGB COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccc(C(C)(C)C)cc1 8781420 JHIJILWLXCBLIT-SSDVNMTOSA-N 468.189 5.282 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)c1 8810995 KXAASUPVGSIOQE-UVHMKAGCSA-N 489.355 5.362 50 40 JKGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccc(Cl)cc1 9089233 YMAPAZTUAPUOLX-SFTDATJTSA-N 498.004 5.215 50 40 JKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 10059288 CKKGDTIOPPJIHW-CIRUFVMISA-N 492.488 5.338 50 40 JKGB C=CCN1C(=O)[C@]2(C(C#N)=C(n3cccc3)N(c3ccc(F)cc3)C3=C2C(=O)CCC3)c2ccccc21 12363535 LENNGJYOERAFMJ-PMERELPUSA-N 490.538 5.317 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)cc4)c32)o1 22709946 JXUGZQJVAMVKIP-FQEVSTJZSA-N 473.876 5.425 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1 27017681 HCQJLIWYEYSGMF-HKOYGPOVSA-N 462.553 5.551 50 40 JKGB CCCCOC(=O)c1ccc(-c2ccc(/C=C(C#N)/C(O)=N/c3nc4ccccc4s3)o2)cc1 41120793 YBPBZHJUTPSNDC-XDJHFCHBSA-N 471.538 6.708 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Br)c2)cc1 59335237 SDTWRTRSUCYKIZ-ZDLGFXPLSA-N 499.767 6.675 50 40 JKGB C[C@@H]1CN(c2ccc(NC(=S)P(=O)(c3ccccc3)c3ccccc3)cc2)C[C@@H](C)O1 95676391 UWARWWPGGWACSH-WOJBJXKFSA-N 450.544 5.011 50 40 JKGB Cc1c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc2n1Cc1ccccc1C#N 108080873 YSXDRZPSWGTQER-WKULSOCRSA-N 493.548 5.757 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)NCc1ccco1 408735496 SXYOKFVOKAOQDW-XSFVSMFZSA-N 487.353 5.998 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(F)cc1 408740992 GFOZUPKZIPODEP-WQRHYEAKSA-N 481.321 5.721 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccccc1F 408743973 IWIZJCLCMGHQER-PDGQHHTCSA-N 481.321 5.721 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Br)c1OC 408759343 CLCWHYCOHRMBTD-DHDCSXOGSA-N 476.168 5.494 50 40 JKGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 408784420 QZQPKYPZGOILNB-JWGURIENSA-N 473.548 5.805 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1 408797742 SSTOUDDSALIFBZ-XDHOZWIPSA-N 463.331 5.588 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408799575 ZXELJVJZZQYZGI-CPNJWEJPSA-N 467.352 6.517 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 408875310 JHIGCYSATSRMHN-YBFXNURJSA-N 485.798 7.334 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OC(=O)c1cccc(F)c1 408886999 KTQWYHJSLCUCGJ-LICLKQGHSA-N 450.853 5.253 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 408888882 CIIMEWZIHXVFEN-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OCC)c1OCc1ccccc1 408904678 MYPNCFXGTGXMHR-RHANQZHGSA-N 499.523 5.811 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 409039377 QRBMTCIRRVXMEE-JFLMPSFJSA-N 457.357 5.664 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1cccc(C)c1 409048447 SYOQKBFDQVPSHR-PXLXIMEGSA-N 469.541 5.265 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1 409077803 ABVIWKYIFJSMAI-BOPFTXTBSA-N 467.403 6.260 50 40 JKGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 409132698 LKNVTTNUJWXFLD-HXUWFJFHSA-N 459.304 5.526 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4ccc(Cl)cc4Cl)cc3)CC2=O)cc1 409264746 PVNPHVWUNBZNLM-ZVEFNMQLSA-N 496.394 5.384 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2)cc(I)c1OCc1ccccc1 409366719 XSHDXNAQSHBPLC-NDENLUEZSA-N 467.306 5.943 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1cccn1-c1ccc(Br)cc1 1052755 DZVIPJAXUHCCSR-WSDLNYQXSA-N 471.405 5.092 50 40 JKGB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=C2CCCC2)cc1 1059042 UDFKSSFOCPHAGW-UHFFFAOYSA-N 461.587 5.050 50 40 JKGB CCOC(=O)c1sc(SSc2sc(C(=O)OCC)c(C)c2[N+](=O)[O-])c([N+](=O)[O-])c1C 1570774 KTAAYGLXGZVVEW-UHFFFAOYSA-N 492.578 5.396 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 1887969 RKDWDPHLCUUFOK-NLTRVXJZSA-N 453.567 5.368 50 40 JKGB Cc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1Cl 2277390 CEGIKCRIYKXHCF-GXDHUFHOSA-N 498.789 6.617 50 40 JKGB Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccc(C(F)(F)F)cc3)s2)cc1 2307980 CQHBSSGKYCGIFE-YSURURNPSA-N 482.578 5.400 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1 2855147 UXLWZSHVBNWGAF-YBFXNURJSA-N 492.915 5.180 50 40 JKGB N#C/C(=C\c1c(Oc2ccc(Cl)cc2)nc2ccccn2c1=O)S(=O)(=O)c1ccc(Cl)cc1 9500293 ZABHLCXDKQMPTB-CPNJWEJPSA-N 498.347 5.132 50 40 JKGB Cc1ccccc1C[C@H](C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1 16157915 HQENGQFKTVDOGB-ZCGOLBPFSA-N 487.943 6.293 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1OCC 33467444 ORTBMXHIQYFYLA-DHDCSXOGSA-N 473.314 5.338 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N4CCCC4)cc3)o2)cc1 33526289 SHMNQVDLSQKGFV-FSGOGVSDSA-N 482.584 5.630 50 40 JKGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(OCc2ccccc2)c1)c1nc2ccccc2[nH]1 33629578 REFKTFVOGZCTDD-XIEYBQDHSA-N 493.570 7.059 50 40 JKGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 59101533 RTSKPECILAAHSL-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1 59201652 SZORCVCRFZABKU-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cccc(F)c1 59281394 QXDCSFWGWACHKB-RGVLZGJSSA-N 464.924 6.311 50 40 JKGB c1ccc([P+](Cc2c3ccccc3cc3ccccc23)(c2ccccc2)c2ccccc2)cc1 97976762 NCBVHKMMRRCFMI-UHFFFAOYSA-N 453.545 7.487 50 40 JKGB COC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 100935508 BLKACYKEWKUVFY-VKAVYKQESA-N 479.517 5.833 50 40 JKGB Cc1ccc(Oc2ccc(N3C(=O)[C@H]4C[C@@H](Br)[C@H](Br)C[C@H]4C3=O)cc2)cc1 103665183 YFBVFRGPUZJOKR-FCGDIQPGSA-N 493.195 5.214 50 40 JKGB Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2cccs2)C2=C(O)CC(C)(C)CC2=N1 103871354 DBQKHJOAFGWNET-QFIPXVFZSA-N 498.073 6.987 50 40 JKGB CN1P(c2ccccc2)(c2ccccc2)=NP(c2ccccc2)(c2ccccc2)=N[P@@]1(=N)N 104197101 ZQQSSFXBOHVSLM-UHFFFAOYSA-N 489.440 5.950 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccc(Cl)cc1 107931807 GQFLUONMDUYEAP-JFLMPSFJSA-N 465.937 5.040 50 40 JKGB N#C/C(=C\c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1)c1nc2ccccc2s1 408550864 HTXUVFHYAWLAQM-MHWRWJLKSA-N 480.376 6.685 50 40 JKGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1 408763665 GHOXGCURFBKLRI-MOSHPQCFSA-N 475.342 5.776 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OC(C)=O 408765059 WDRQBVIDGWDHEM-MLPAPPSSSA-N 498.160 5.626 50 40 JKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cc(Br)cc(Br)c1O 408771530 ITKSXDOSAKMZPJ-MLPAPPSSSA-N 450.130 5.080 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccc2ccccc2c1 408779592 ZENJJWVOMAAZLL-UUYOSTAYSA-N 493.401 6.012 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 408792285 ALLUMCCJGGGRFQ-XDHOZWIPSA-N 492.329 5.790 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408793400 FHDPNIJJHWJNRI-SRZZPIQSSA-N 490.943 5.788 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C)c(C)c3)c(OC)c2)cc1 408812479 LWQKZGRAVZJJFZ-CIAFOILYSA-N 476.960 6.099 50 40 JKGB Cc1c(Br)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1 408857066 RYWWSXYVSZRSGG-GDNBJRDFSA-N 489.200 6.709 50 40 JKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)cc2Br)c1 408872613 HJZCFDZCJYPQIH-WSDLNYQXSA-N 493.832 7.164 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OCc3ccc(Cl)cc3)c2)cc1 408881365 MVSJEEPIXQWCGT-KGENOOAVSA-N 490.943 5.650 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2Cl)cc1 408891321 ONTVTPKMFYRXHU-CPNJWEJPSA-N 466.946 5.270 50 40 JKGB CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)ccc1OCc1ccccc1Cl 408908357 RPANPLKNCADCKM-UXHLAJHPSA-N 495.019 6.108 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc2c(c1)OCO2 408985334 WNBYCIWLLJYOLR-UUYOSTAYSA-N 486.955 6.230 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OCC)c1OCc1ccc(C)cc1 409072573 WAYIYFCSTBNRJH-LFVJCYFKSA-N 486.999 6.900 50 40 JKGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1 409130679 XHAOERPVMZDATF-FLOSOGMCSA-N 482.005 5.297 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OCC)c(OCC)c3)cc2c1 409188794 GHODSTCYZTZTDU-CFRMEGHHSA-N 475.339 5.155 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCC(=O)Nc1cccc(C)c1C 409267780 WIGPUAZQWYOBOV-BKUYFWCQSA-N 473.960 5.828 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 409378767 RLNVYYMCGXQVSE-PDGQHHTCSA-N 463.896 5.351 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)c1cccc(F)c1 409392421 MLMBSWVYMWEHLD-GRSHGNNSSA-N 499.279 5.772 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1ccc(O)cc1 797862 ZWBJNFYRNOMEAJ-SFQUDFHCSA-N 462.336 6.248 50 40 JKGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NNC(=S)Nc1ccccc1 1804515 WJMMNPCGGQHVQN-UHFFFAOYSA-N 497.696 5.094 50 40 JKGB C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 1906013 KJWWXWCWLUEOSD-GZTJUZNOSA-N 470.381 6.151 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@@H](Nc1cccc(C(F)(F)F)c1)c1cccs1 3157653 GLZCFILEGRNGAY-HSZRJFAPSA-N 457.457 6.892 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 3177667 ROWLQJWMJOGENY-VWLOTQADSA-N 481.941 5.331 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OC(=O)c1cccc2ccccc12 3232295 FQMDVEZQCLXANU-XQNSMLJCSA-N 476.532 6.230 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C(=O)O)cc3)c(Cl)c2)c1 8721944 BXTGRVJXSIKUJI-GIJQJNRQSA-N 497.334 5.825 50 40 JKGB O=C(NNC(=S)Nc1cccc(C(F)(F)F)c1)c1[nH]c2ccccc2c1-c1ccccc1 8782284 IUGKGBQCQCFFDN-UHFFFAOYSA-N 454.477 5.485 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 9057427 UIXPTVYEQNFICY-MHWRWJLKSA-N 482.279 5.666 50 40 JKGB CC(C)c1ccccc1N/C=C(\C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 9327482 HGTDAYVZVPCKBT-FOWTUZBSSA-N 492.398 6.779 50 40 JKGB Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1 9614424 SQVHODPAOFHMNS-VULFUBBASA-N 467.363 5.174 50 40 JKGB C/C(=N\NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1cccc(C(F)(F)F)c1 12649402 IPXOXZYYQSGJSC-MUFRIFMGSA-N 458.509 5.559 50 40 JKGB O=C(COc1ccc(Cl)cc1Br)N/N=C\c1c2ccccc2cc2ccccc12 15134625 ZKZIDLUDSWDHDC-ZMFRSBBQSA-N 467.750 5.938 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 20197987 IKTDMKYSUAMDLB-OGLMXYFKSA-N 450.510 5.356 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)Sc1nc2ccccc2s1 33400531 KPNXRRKISQWXQG-XDHOZWIPSA-N 469.418 7.839 50 40 JKGB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3C[C@H](Br)C(=O)[C@@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 34909194 KPIZABGNNPKJMS-PASMNMMYSA-N 483.531 7.115 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 59473745 ORHNAOALNBZMKF-UXHLAJHPSA-N 487.024 6.975 50 40 JKGB Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C2=C(O)CCCC2=N1 100703119 NDQXZDFNJBYQAU-NRFANRHFSA-N 453.951 5.883 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc21 223491633 BYCGGPSWWWWIQU-VYYCAZPPSA-N 480.406 6.370 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc21 223512761 PSVOSRYTOFXWFT-JAIQZWGSSA-N 478.434 6.714 50 40 JKGB CCCCCCCC[C@H](Cl)[C@H](Cl)CCCCCCCC(=O)[C@H](C(=O)O)[C@@H](O)C[N+](C)(C)C 263583687 TYGGPHDVLKGGFC-DVKRWUGUSA-O 497.568 6.020 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12)c1ccc2ccccc2c1 408551578 NWNOUFKLXJDXNW-IMRQLAEWSA-N 455.513 7.334 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1Cl 408579584 IEQFBWLLHQAWKF-XNTDXEJSSA-N 464.757 6.479 50 40 JKGB COc1cc(/C=N/NC(=O)COc2cccc3cccnc23)ccc1OCc1cccc2ccccc12 408758099 GOSUIARKRUKZAQ-KCSSXMTESA-N 491.547 5.505 50 40 JKGB Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 408781660 CMSXAEFAXGKZNV-OPEKNORGSA-N 484.785 5.230 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 408787771 GAVWLOVDMWMKHC-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(C)c(C)c1 408809433 HNXUUPUOWBPUKQ-FSJBWODESA-N 474.988 6.707 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cccc(OC)c2)cc(Br)c1OCc1ccccc1 408874011 YNFJMKUKPYNMHY-YSMPRRRNSA-N 483.362 5.199 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)cc2)cc1Cl 408881807 MGQSVEVMHDKGOA-DEDYPNTBSA-N 465.778 6.547 50 40 JKGB Cc1ccc(Sc2oc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2Br)cc1 408913446 URCDJBAIXAIKKZ-AUEPDCJTSA-N 484.202 6.572 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccccc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408996944 KQDVXXQCYBYPPR-WQLSENKSSA-N 494.197 7.046 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)ccc1OCc1ccccc1Cl 409023461 NACIZSNLOFNHAN-MUXKCCDJSA-N 483.351 6.481 50 40 JKGB C[C@H](C(=O)NN=C1CCC(C(C)(C)C)CC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409026950 KMZVRNMAUKIBMG-FIWHBWSRSA-N 485.650 5.342 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)cc1 409187576 SBUVNHXBWSRJBL-PDGQHHTCSA-N 454.357 6.345 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)c1ccc([N+](=O)[O-])cc1 409213594 UMOOGDRTCWLHEY-JAIQZWGSSA-N 460.287 5.872 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc(C)c1 409218187 ZBZDOUIBOMTPQS-JAIQZWGSSA-N 479.330 6.318 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccccc1 409239597 HOUNLPOOUXSAQW-IWEBCOIVSA-N 485.798 7.010 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1)C(=O)NCc1ccccc1 409258300 VZZABKHVTOPKLK-XDHOZWIPSA-N 480.351 5.234 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1OC 409333060 ICRLUAJKIONGSB-RHANQZHGSA-N 480.536 5.365 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 409386350 MUDFXWJRXLZBDV-CCVNUDIWSA-N 472.372 5.533 50 40 JKGB O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccccc2c1-c1ccccc1)c1ccccc1Cl 409397544 LBVMVWYDXANPIN-UHFFFAOYSA-N 493.950 6.471 50 40 JKGB CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccs3)nnc2-c2ccc(Cl)cc2)cc1 1830662 KPEXAXTWJHRUAX-AFUMVMLFSA-N 498.033 5.290 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3F)N(c3ccccc3)C2=O)cc1 2351522 LIDSHIFKXLXQEB-RKZIHRPTSA-N 457.530 5.199 50 40 JKGB Cc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccccc1Br 2735671 DZXKTPFLYBKHPJ-FQEVSTJZSA-N 471.376 5.213 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 3275181 LQZUGCMBRAXMQW-FJEPWZHXSA-N 463.463 5.120 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@H]2c1c(F)cccc1Cl 9009303 OBFSHDURNPKMBW-FQEVSTJZSA-N 466.900 5.328 50 40 JKGB Cc1c(C(=O)N/N=C/c2cccc(Cl)c2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 12584156 UJXJDMORPCHTJV-NSKAYECMSA-N 479.936 6.769 50 40 JKGB C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C(\CC)c1ccccc1 13882061 WBXNMIBLHUAUEX-GQKAQOFESA-N 483.041 5.141 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 14152082 INAHDDBPRJZKNC-DEDYPNTBSA-N 483.549 5.321 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 16195572 PDWWYKIJTIKKGW-WQRHYEAKSA-N 463.877 5.381 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3c(Cl)cccc3Cl)nnc2-c2ccncc2)cc1 16804991 YFEDHWFPRBGPAH-UVHMKAGCSA-N 497.411 5.187 50 40 JKGB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccc(OC)c(OCc2ccccc2)c1 23739365 JMTFSSRYFMZEQR-FYJGNVAPSA-N 458.514 5.186 50 40 JKGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)cc1 59101535 COJXCWDJNVKOOQ-RWPZCVJISA-N 479.964 5.023 50 40 JKGB COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(/C=N/NC(=O)c2cccc(Cl)c2)c1 59417191 MDLCRBZKQSLRJR-KKMKTNMSSA-N 493.825 5.832 50 40 JKGB COc1nc(CC[C@H](O)CO[Si](C)(C)C(C)(C)C)ccc1NC(=O)OCc1ccccc1 195932209 UZRLXQBDNWHPGD-FQEVSTJZSA-N 460.647 5.154 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc21 223487079 KIJGAFKYCYNCNX-ZDLGFXPLSA-N 454.401 6.949 50 40 JKGB CC(C)N1c2ccc(/C=N\NC(=O)COc3cccc(Br)c3)cc2[C@H](C)CC1(C)C 260564998 GHUHGUPJXATVCH-IOFNULOHSA-N 472.427 5.479 50 40 JKGB CCCCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(-c2csc(C)n2)cc1 408537652 GQWZBVJGQFMXGF-QRQIAZFYSA-N 484.065 7.275 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1OC 408580312 OFAZMIGMQNWCCG-DEDYPNTBSA-N 450.332 6.109 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1ccc(Br)cc1 408581040 SXHHCWSJSMDXOM-VCHYOVAHSA-N 459.170 7.399 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(I)c1 408745660 UUKVECQYFOABAJ-MOSHPQCFSA-N 494.332 5.724 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)Nc1cccc(Cl)c1 408763698 JOHGLPUNISGEPX-KGENOOAVSA-N 488.952 5.807 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 408790194 UYDKKEIPJQHZBM-HZHRSRAPSA-N 470.525 5.305 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 408801197 SEDJQIYQPZGXLI-XSFVSMFZSA-N 467.456 6.012 50 40 JKGB N#C/C(=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 408802991 KBHQHTGXDQHSBX-XSFVSMFZSA-N 494.463 5.781 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)Nc1ccccc1F 408816035 KGIZXDNBIDKJGI-BOPFTXTBSA-N 485.740 6.366 50 40 JKGB O=C(N/N=C/c1ccccc1)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1 408840865 COJONLHMGCJAPG-DHRITJCHSA-N 478.917 5.479 50 40 JKGB C/C(=N\NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccc2c(c1)OCCO2 408861635 UCPHWNHKHGGYIV-DFKUXCBWSA-N 483.612 5.067 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Br)c(C)c1 408884179 XXTMDHHEQLUYOH-UDWIEESQSA-N 495.804 6.844 50 40 JKGB O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc(Cl)c(Cl)c1 408892839 CTENOMNNQRUBNX-RWPZCVJISA-N 463.320 6.130 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408900528 VULZDQRQSCNRKK-VCHYOVAHSA-N 497.334 5.825 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(C)n(-c2cccc3ccccc23)c1C)c1ccccc1 408978320 IDNGTULXBNWPNX-BPRIINSWSA-N 482.584 5.575 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)cc1 408987398 XIMNLFSEUCTOFA-IPBVOBEMSA-N 497.304 5.509 50 40 JKGB C=CCc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(OC)c1OCc1ccc(C)cc1 409023165 WTHPPDDVUPSBFR-CAQPMQTCSA-N 495.579 5.388 50 40 JKGB C=CCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br 409033120 DPGIIVOMVNLMMY-QRQIAZFYSA-N 486.369 5.993 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2F)c2ccccc12)c1cc(-c2ccccc2)nc2ccccc12 409036176 AGEAXZXAPBVGBZ-ALQBTCKLSA-N 498.561 6.808 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1-c1ccc(Cl)cc1 409037367 NEZBQWZTYMQFSB-FDAWAROLSA-N 478.983 6.727 50 40 JKGB O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 409175320 ZFMWYSYSHOBFNM-IBBHUPRXSA-N 476.536 5.134 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1OCc1ccc(C(=O)O)cc1 409187153 MUUMEOFGOAFKGP-WQRHYEAKSA-N 497.334 5.825 50 40 JKGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccccc1)c1ccc(Br)cc1 409217746 AZVCSPPSHFSWLF-CFRMEGHHSA-N 457.711 5.086 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1O 409247131 BHLFIDNVYVVGHH-SDQBBNPISA-N 455.230 5.118 50 40 JKGB Cc1ccccc1NC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Cl 409260406 PWSKVVSESDRJDU-LICLKQGHSA-N 498.341 6.004 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)c1 409269630 KXDMLYKTSRRDHF-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1OCC 409322940 MBHIODGHOVEYSE-RHANQZHGSA-N 494.975 5.655 50 40 JKGB COc1cc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1cccc(F)c1 716158 JYHVMBPVCLDVEK-BWKNWUBXSA-N 454.505 5.007 50 40 JKGB COc1ccc(/C=N/NC(=O)[C@H]2CC2(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1OC 2202808 HHYARNURSUTYDJ-KZJCWCHPSA-N 469.368 5.467 50 40 JKGB CC(C)Oc1ccc([C@H](CCN(Cc2ccc(Cl)cc2)C(=O)CCl)c2ccccc2)cc1 2343416 IOUAWEXMYYPXPR-AREMUKBSSA-N 470.440 6.917 50 40 JKGB Cc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 2393108 PHRRKXKRDYQMHO-BSSRNLCFSA-N 471.557 5.508 50 40 JKGB CN1C(=O)/C(=N\NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)c2ccccc21 3284203 ZFZFYNZAEKNOEX-IKPAITLHSA-N 461.521 5.043 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2o1 4106859 FUWMSIWSYYALBE-UVHMKAGCSA-N 472.888 5.761 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 4196138 HETPJZXUFMAXJY-WQRHYEAKSA-N 453.325 6.127 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1cccc(Cl)c1 5948606 DKOFXSYJUPWNRS-RDRPBHBLSA-N 473.960 5.872 50 40 JKGB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@H]3CC[C@@]21C 8761975 XUXXPLDKUZSGKH-LZHHRLKSSA-N 463.146 8.178 50 40 JKGB biogenic C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccc(F)cc1 8838115 VMHSIWPNJVFGNP-IMRQLAEWSA-N 459.550 5.014 50 40 JKGB O=C(CSCc1ccccc1Br)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 8843125 QXUZRXLSABZPAB-YSURURNPSA-N 498.229 6.399 50 40 JKGB N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)Nc1ccc(Br)cc1 9261786 LVBPLKFTSNMNLN-NBVRZTHBSA-N 499.368 5.588 50 40 JKGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2OC)cc1 12620955 OHVIXHCDLLTVEB-XSFVSMFZSA-N 495.535 5.301 50 40 JKGB Cc1ccc(NC(=S)NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1 16311292 PPSLZJKZLYRXKK-UHFFFAOYSA-N 494.690 5.177 50 40 JKGB COc1ccc(C(=O)N/N=C/c2c(Br)c(C)n(-c3cc(C)ccc3C)c2C)cc1OC 20243868 CVSCUEMVBUODGU-LGJNPRDNSA-N 484.394 5.255 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c(C)c1 28467559 ZKCNNZABIFVMRI-XFVSTGHKSA-N 484.600 5.229 50 40 JKGB CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(C(=O)OC)cc2)cc1 38683474 SQJLZXVLLXMSTJ-AREMUKBSSA-N 498.535 5.089 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cccc(F)c1 59224501 ZLYUADNJHOYNKE-VXLYETTFSA-N 450.897 5.921 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 59233121 POHBALMBSLIBKR-QNGOZBTKSA-N 460.505 5.748 50 40 JKGB CC1=C(/C=C/C(C)=C/C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(C)(C)CCC1 59590661 UJUZVVSRNMBGRO-RIPLDZIISA-N 465.641 8.010 50 40 JKGB in-vitro N#C/C(=C\Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 100843772 ADIGQHRMXMPAHF-FMIVXFBMSA-N 450.829 6.367 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408552447 PPRQHJJRLZCCRF-WKIKZPBSSA-N 486.355 5.092 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)c1ccc(Cl)cc1Cl 408579199 DPDQMQHPULXDCK-LICLKQGHSA-N 459.170 7.399 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccc2ccccc2c1 408676610 LIVHHMSCGLVFCS-RUMWWMSVSA-N 493.607 6.182 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2cc(Cl)cc(Cl)c2Cl)c(C)n1-c1cccc(Cl)c1 408759515 GIZAYYLXCIAZRX-NSKAYECMSA-N 485.198 6.237 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1 408792716 BOZOPTWAQJETMU-XDHOZWIPSA-N 464.880 5.390 50 40 JKGB O=C(N/N=C\c1cc(Br)ccc1OCc1ccc2ccccc2c1)c1cc2ccccc2o1 408855446 NBUOGDFTXQZCNG-MWLSYYOVSA-N 499.364 6.691 50 40 JKGB Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 408876626 MQYVEXPTMQLLFZ-LFVJCYFKSA-N 484.521 7.612 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC(=O)c3ccccc3)c(Cl)c2)cc1 408884563 XNHWOOITQFREBD-WOJGMQOQSA-N 451.309 6.067 50 40 JKGB Cc1cc(C)c(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)c(C)c1 408924215 LZZJTIXFURLLDJ-LFVJCYFKSA-N 480.995 7.543 50 40 JKGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(OCc2cccc(F)c2)cc1 408980731 STMISRNUTHVCCP-AWLRXGSOSA-N 495.554 5.416 50 40 JKGB CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 408992393 AZBBZSKRTRQTQG-AFUMVMLFSA-N 468.966 5.370 50 40 JKGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Br)c(Sc2ccccc2)o1 408999537 UVFZLMVFYIKZTR-SSDVNMTOSA-N 465.756 5.376 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1F 409051295 BQUXYHHOBLJHOH-XODNFHPESA-N 475.347 6.183 50 40 JKGB Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)cc1 409120916 WWFLXYURFLWGQK-VBYICHLGSA-N 470.436 5.796 50 40 JKGB N#CC1=C(SCCOc2ccccc2Cl)NC(=O)C[C@@H]1c1cccc(Br)c1 409314013 RIAZBXCTUFXFNX-OAHLLOKOSA-N 463.784 5.253 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1OC 409334034 QRQWJQLLVWEGCV-FDVSRXAVSA-N 498.938 5.404 50 40 JKGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(Br)cc1 409370838 BQMGEVMHADKHRA-YDZHTSKRSA-N 451.349 5.127 50 40 JKGB Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C1CC(C)(C)CC2=O 713628 JOLBAFOCXRXSDQ-HSZRJFAPSA-N 461.949 5.318 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1sc2c(c1C#N)CCCC2 1813399 CJOCHKKGTKSJQO-LICLKQGHSA-N 495.435 6.759 50 40 JKGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)NC2=C1C(=O)CCC2 2310836 HCVPVTDIBLKVNZ-XMMPIXPASA-N 494.016 5.540 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 9057345 LZLGURCPIMORQH-UKTHLTGXSA-N 497.261 5.380 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cccc([N+](=O)[O-])c1)C(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1Cl 9244842 ICVKHTJLCGGISX-NRFANRHFSA-N 483.355 5.842 50 40 JKGB CCOc1cc2c3c(c1)-c1c(sn(-c4ccccc4)c1=S)C(C)(C)N3C(=O)C2=C(C#N)C#N 9282096 CILVFZDZWFXMMU-UHFFFAOYSA-N 470.579 5.730 50 40 JKGB CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 12250260 WYZJLLCKXMRNAK-QFIPXVFZSA-N 472.397 5.650 50 40 JKGB O=C(NNc1nc2c(c(=O)n1-c1ccccc1)C1(CCCC1)Cc1ccccc1-2)c1ccccc1 12321030 VPRSIRAVECSPOV-UHFFFAOYSA-N 462.553 5.024 50 40 JKGB Cc1c(Cl)cccc1N/C=C(/C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 13774992 DTZLATYQORUPLH-UVTDQMKNSA-N 498.789 6.617 50 40 JKGB O=C(N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1cc(Br)ccc1O 14408618 BKFWVMBWFLGORX-WKULSOCRSA-N 498.380 6.075 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc(Br)c1OCC 16688361 CAPJJFJPKVNCGF-VULFUBBASA-N 481.346 5.910 50 40 JKGB CC1=C(C#N)C(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 16753093 RWLQIEVBOVHRDR-XYGWBWBKSA-N 462.553 5.383 50 40 JKGB CCCCCCSC1=C(C#N)[C@H](c2cccs2)C(C(=O)Nc2ccccc2OC)=C(C)N1 19805666 ZUCSLUDYUTXWAZ-HSZRJFAPSA-N 467.660 6.405 50 40 JKGB CCCCOc1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 20076480 PHYKWIGBEKGASV-MFKUBSTISA-N 450.366 5.431 50 40 JKGB CC(C)N1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 20528787 SDVIFSNPLNJRHI-KUDIEGTJSA-N 452.385 5.863 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1ccccc1Br 20760234 DFKJXVPUICRIPW-UFFVCSGVSA-N 493.111 5.144 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 26123759 XSWCRWAOOFXPTE-CVKSISIWSA-N 483.362 5.199 50 40 JKGB Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)cc2c1O[C@H](C)C2 27579561 NFHGQXGZDPYELG-AOMYKUFJSA-N 471.564 6.122 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Br)cc1 33569172 XEOPARUUWBKDFV-UNOMPAQXSA-N 465.303 6.009 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 59336397 IUFLYCHRJSCVKO-ATVHPVEESA-N 491.334 6.450 50 40 JKGB COc1ccc(CSCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 59473747 RQYFKBZTQOSNNN-VULFUBBASA-N 454.979 5.311 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl 59485162 HRSOTXBPQCNJLQ-JAIQZWGSSA-N 468.778 7.063 50 40 JKGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)c1 67192590 BDLCBPCVHYLFTF-LUOAPIJWSA-N 479.791 6.868 50 40 JKGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc(I)c1 71325865 XCFBHRSQOMZZNB-LSHDLFTRSA-N 485.108 5.622 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 207151266 VVMCUQUPMLEPTF-PDGQHHTCSA-N 463.434 6.393 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1OC 408539285 GMVUDVWRUYEIRV-QQXSKIMKSA-N 451.394 6.505 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 408692848 WVELKMBCAZGCNY-BRJLIKDPSA-N 459.775 5.072 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1)Nc1ccc(Cl)c(Cl)c1 408759420 DRPQMLXHKIHOQR-RPPGKUMJSA-N 476.747 5.428 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1cccc(F)c1 408765640 MVDOBMCJVDSDJD-BKUYFWCQSA-N 491.360 6.441 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)c1ccc(Cl)cc1 408777131 VRSADEOKCIGBRL-DHDCSXOGSA-N 479.241 7.777 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408790630 QIEPEZVTFDZRFH-CIAFOILYSA-N 490.943 5.870 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 408817536 VUAZEQXIAYBUBF-MDWZMJQESA-N 458.257 5.716 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)c1OCc1ccccc1Cl 408894694 KNONQKHEXNCIPD-QGOAFFKASA-N 462.889 5.171 50 40 JKGB Cc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)c(C)n1-c1ccc(Cl)c(Cl)c1 408897103 VRKQSKWZMQWQDW-OPEKNORGSA-N 473.385 5.785 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1Cl 408982620 IMQBIGNNJHMYJP-PXLXIMEGSA-N 477.391 7.155 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2)cc1Cl 409262511 FOJROHUJUAAZQZ-LDADJPATSA-N 463.896 5.351 50 40 JKGB COC(=O)COc1c(I)cc(/C=C(\C#N)c2cccc3ccccc23)cc1OC 409316748 ZRVCYQOOCFMCJD-LICLKQGHSA-N 499.304 5.069 50 40 JKGB C=CC[n+]1c(NNC(=O)c2ccc(Br)cc2)sc(C)c1-c1ccc(OCC)cc1 1786935 GCFXTFULDLECFI-UHFFFAOYSA-O 473.416 5.115 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccccc1F 2159707 PHFLEPXRBBNZRO-OKCVXOCRSA-N 468.484 6.077 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2c(Cl)cccc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 2354201 FMLBPPPESKZRGP-LGJNPRDNSA-N 490.460 5.812 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cc(C(F)(F)F)ccc1Cl)C(N)=C(C#N)[C@H]2c1ccsc1 3663107 KQHQFYVOCVOHJU-LJQANCHMSA-N 477.939 6.361 50 40 JKGB CCCCCc1ccc(-c2ccc([C@@H](Cl)[C@@H](Cl)C3CCC(CCCCC)CC3)cc2)cc1 8383592 GXPDMEOIZKZMPY-OXHYQFOYSA-N 473.572 10.360 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 8812691 CVAJZOMRZRLKIF-UVHMKAGCSA-N 496.792 5.878 50 40 JKGB COc1cc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c(C)cc1[N+](=O)[O-] 9313321 AMRFEFHCZOAGPG-GXDHUFHOSA-N 471.336 5.774 50 40 JKGB COc1ccc2ccccc2c1C(=O)N/N=C/c1ccccc1OCc1cccc2ccccc12 9323927 ATKMGWBPXLFPLL-ZCTHSVRISA-N 460.533 6.345 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccccc1Cl 12463761 CMQNGTJKBFXEFD-MFKUBSTISA-N 499.086 6.270 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1cccc(Cl)c1)c1cc(Br)ccc1O 14408653 ZNRFAIYIXYAMQA-WYMPLXKRSA-N 459.727 5.151 50 40 JKGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)o1 16227719 WTIYNVJYNUPUBU-UKTHLTGXSA-N 468.263 5.172 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1C 32636397 NLALJCNJCWBGTG-ITYLOYPMSA-N 481.577 5.751 50 40 JKGB N#C/C(C(=O)N1CCCCCC1)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 33423716 XUAYCJACQMRCOM-WTALZMIHSA-N 466.006 5.169 50 40 JKGB N#C/C(=C/c1cc(Br)c(I)o1)c1ccc(Br)cc1 33668771 MHZHDHATCLHBEZ-UITAMQMPSA-N 478.909 5.473 50 40 JKGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(O)cc1 35315171 CQKOGNHFERROFO-LFIBNONCSA-N 482.323 5.262 50 40 JKGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1 58912712 QHMGDFCKHWHICH-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 59245201 JEHIYRYHMZIROC-LICLKQGHSA-N 491.296 7.137 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(F)cc1 59336478 AVTCGZMTOAAPBF-ZHZULCJRSA-N 481.354 6.986 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)COc3ccc(-c4ccccc4)cc3)o2)cc1 67192534 RWUJCZHPVGTMEO-MIXAMLLLSA-N 468.509 5.319 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 83312568 HWEKRNLKEFESDF-WOJGMQOQSA-N 484.917 5.397 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)c1ccc(Cl)cc1Cl 106369907 CBHPHFXKUJZOGG-DHDCSXOGSA-N 475.734 6.868 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1ccccc1 209494780 WVYUBFJOAAHIGG-FYJGNVAPSA-N 491.385 6.238 50 40 JKGB CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)Cc2ccccc2)cc1OC 408538854 CNPLADXGCCPYKW-ITYLOYPMSA-N 475.427 5.890 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 408583402 UHFCULNMMVEKFT-XDHOZWIPSA-N 454.751 6.754 50 40 JKGB O=C(NNc1ccc(OCc2ccccc2Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408601264 AQHZSXNMFFCALK-INIZCTEOSA-N 488.346 5.208 50 40 JKGB O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1ccc(O)cc1 408740052 IAHNGOPWFXMUNM-NJZRLIGZSA-N 457.533 6.281 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1 408743870 CCNRMBQEEVGAJX-ODLFYWEKSA-N 467.352 6.435 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc1Br 408767640 ZIFJSAPLIGEHQR-MDWZMJQESA-N 480.156 5.165 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)c1 408791713 BGTDIAWPRIVQRJ-UFFVCSGVSA-N 476.363 6.607 50 40 JKGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OCC 408797907 TXHPMAMFIQPDHX-LDADJPATSA-N 454.910 5.026 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3OC)c2C)cc1 408807077 OCPNTEXAEJZDNG-DEDYPNTBSA-N 477.948 5.479 50 40 JKGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3C)cc2)c1 408810447 JUVZPULCBSVWIJ-CPNJWEJPSA-N 462.933 5.790 50 40 JKGB O=C(N/N=C\c1cc(/N=N/c2ccccc2)ccc1O)c1cc2cc(Br)ccc2o1 408852985 XYLVVJOWILQWGK-LFOKZAPISA-N 463.291 6.080 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Cl 408860112 SGHCJDIHIYZDDC-KGENOOAVSA-N 470.931 7.065 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2Br)c1 408886343 GJFLRSYVBMLOQF-YDZHTSKRSA-N 489.413 6.807 50 40 JKGB CSc1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 408969424 NJBOWQCEUHBKPN-VDNLUHFYSA-N 496.460 5.164 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Cl)c1C 409263936 CZWSIFCMZGDQKG-WKIKZPBSSA-N 470.356 5.392 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Cl)c1 409265322 HMFLDOPWFRRLHA-ZMFRSBBQSA-N 456.329 5.083 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc(Cl)c2)cc1OCC 409310143 QZCUWYKMTVUTHR-QRQIAZFYSA-N 464.949 5.646 50 40 JKGB O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1)c1ccccc1 409395012 IUSOBFRTBXPFDK-UHFFFAOYSA-N 493.950 6.471 50 40 JKGB COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2F)cc1Cl 606422247 FNAGFVUHJNURHD-QFIPXVFZSA-N 468.843 5.064 50 40 JKGB Cc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 1888105 JRXYBCVCCYDMTE-FYAMCCBRSA-N 488.012 6.022 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)ccc1O 1906207 VNPZHGGARILROJ-VGOFMYFVSA-N 460.342 5.301 50 40 JKGB CCCc1ccc(-c2cc(C(=O)N/N=C/c3cc4c(cc3Cl)OCO4)c3ccccc3n2)cc1 2109744 PCJJGGKWZBJVQP-WKULSOCRSA-N 471.944 6.000 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 2670908 RYACEFOMIUKHLG-KGENOOAVSA-N 495.991 7.346 50 40 JKGB CCOC(=O)COc1c(C)cc(SSc2cc(C)c(OCC(=O)OCC)c(C)c2)cc1C 4416927 MTTBMHLZCRAXGC-UHFFFAOYSA-N 478.632 5.603 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccncc1 9065425 KHVUIRYXQIXRHA-IWIPYMOSSA-N 465.629 5.011 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)n[nH]1)c1ccc(-c2ccccc2)cc1 12466565 RMVFNGPQJDFJHL-DXJNIWACSA-N 456.549 6.150 50 40 JKGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccccc1OC(=O)c1cccc2ccccc12 12586798 JPJPSBLWMKUSSR-HMMYKYKNSA-N 493.475 5.521 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2F)o1 13388068 YTPZQRBRDLMCNY-UKTHLTGXSA-N 470.254 5.611 50 40 JKGB CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3ccc(Br)cc3)ccc21 16162860 WKYOUCORYUCSMU-LQKURTRISA-N 491.389 5.711 50 40 JKGB O=C(N/N=C\c1c(O)ccc2ccccc12)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1 16493348 VLACLRDJTBYKBR-NTFVMDSBSA-N 464.550 6.176 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(C3CCCC3)C(=O)C(C#N)=C2C)cc1 16806584 FLRBFUACXOLURJ-ONUIUJJFSA-N 492.579 5.473 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C/C=C\c3ccco3)nnc2-c2ccc(Cl)cc2)cc1 19832997 BHMKBRLGVXJTRO-HMCJDLQRSA-N 477.977 5.397 50 40 JKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 20244101 RNIOZTWXXUZCHT-LQKURTRISA-N 463.965 5.419 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1cccc(Br)c1 20760481 CYMDOLJYEPWNNH-FSJBWODESA-N 475.184 5.383 50 40 JKGB CC[C@H]1CCc2sc(C(=O)NN/C=C3/C(=O)N(c4ccc(C)cc4)C(=O)c4ccccc43)cc2C1 33014751 KTRYOSUEEYONML-RPNTZMPASA-N 485.609 5.034 50 40 JKGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 59136564 NPUKCPUXWNVCAQ-OPEKNORGSA-N 496.239 5.329 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1P(=O)(c1ccccc1)c1ccccc1 103438715 QFKSDBYGNQVKML-WWPKSBKISA-N 496.527 6.182 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3ccccc3-n3cccc3)c3ccccc32)c1 408542864 OHCXCKPTAYNTOK-UXHLAJHPSA-N 476.536 5.031 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccc(Cl)c(Cl)c1 408586508 CIHBJRSVFCGBRW-RWPZCVJISA-N 450.369 6.247 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1Cl 408733807 ACXQGYYYNSAVCI-MDWZMJQESA-N 486.709 6.125 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OCc1ccccc1 408749611 RECVMIAWPZAUIH-VULFUBBASA-N 487.781 5.844 50 40 JKGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccc(Cl)c(Cl)c1 408759260 ASOMCVNYFLYTLJ-JFLMPSFJSA-N 499.375 5.678 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccc(C)cc2C)cc1 408784784 SRZJXIZAZNCCKO-OGLMXYFKSA-N 477.630 5.081 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc3ccccc23)c2cc(C)cc(C)c2)cc1 408786113 MKLCAIQTVJLGEP-RDRPBHBLSA-N 485.609 5.111 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)o1 408789784 LJJFBBHMGJBHBS-LTGZKZEYSA-N 479.492 6.288 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OCc2cccc([N+](=O)[O-])c2)c1 408801777 VTIZBTISFRORPR-FYJGNVAPSA-N 457.486 5.345 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(C)n1-c1sc2c(c1C#N)CCCC2 408807544 CQZLPEYZBURJTP-YVLHZVERSA-N 452.410 7.277 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1C 408818531 VVYAQWKURZHKSV-RGVLZGJSSA-N 495.804 6.844 50 40 JKGB COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)o2)cc1Cl 408846920 KQEMSRUZYNLTOE-PDGQHHTCSA-N 473.916 5.134 50 40 JKGB Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3sc4cc(C)ccc4c3Cl)cc2)cc1 408848922 XFTIETKVPOGGFY-UHFFFAOYSA-N 477.973 5.499 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OCc2ccc(Br)cc2)c1 408854073 WZMKFUPOOODDHF-LDADJPATSA-N 481.321 5.721 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)c(C)c1 408884465 ZKMMNUVGEOIUMK-XQNSMLJCSA-N 450.513 6.720 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 408884632 YOEQDMBYUVAWAW-VCHYOVAHSA-N 475.297 7.149 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 408965277 JTVPOGMLBAJEPT-MUFRIFMGSA-N 479.492 6.146 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 409045062 XZUSLSZTLUFRMM-GZTJUZNOSA-N 499.876 5.922 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OS(=O)(=O)c1ccccc1 409073982 OTGWEMWYIJAIOA-RCCKNPSSSA-N 476.554 5.016 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3cccc(Br)c3)c2C)cc1 409187243 NWYRTUIFDOXMJE-OYKKKHCWSA-N 455.356 5.411 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2cccs2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 409197782 OTHLSBMTGDPLEH-WGOQTCKBSA-N 490.610 5.908 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc4ccccc4c3)c2C)sc(C)c1C 409198072 WHYODTDKPUSVPH-YDZHTSKRSA-N 483.593 6.258 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 409233119 QNXSYLNCOLYPHX-FPJJECCMSA-N 478.951 6.241 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(I)c(OC(C)C)c(OC)c3)[nH]c2c1 409392472 PQDNQOSZGACCRJ-AUWJEWJLSA-N 489.313 5.036 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)sc2c1CCCC2 2209408 BPBURMLTFFNIJY-QINSGFPZSA-N 480.571 5.812 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccc(Cl)c3Cl)C3=C(CCCC3=O)N2)cc1 2359095 OENYQVQNRQVJRO-JOCHJYFZSA-N 498.435 6.103 50 40 JKGB O=C(N/N=C/C1=C(Sc2nc3ccccc3s2)CCCC1)[C@H]1COc2ccccc2O1 3191285 VIVVIFISLURYSM-NZYROCMPSA-N 451.573 5.159 50 40 JKGB CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 16735408 IZYWIYCXOBMXLY-FBMGVBCBSA-N 498.970 5.983 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(CN2CCc3ccccc3C2)cc1 19818086 KBZVIEJFXYVJOR-UZWMFBFFSA-N 475.592 5.588 50 40 JKGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 19868994 ADXJZWUOHPAVJV-YBEGLDIGSA-N 485.327 5.863 50 40 JKGB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1Cl 20348400 GWSLYRIAOXLLMJ-QHCPKHFHSA-N 482.005 5.279 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@@H]1c1ccccc1Cl 20348465 LHUHFEHGRCUOMR-DEOSSOPVSA-N 494.016 5.446 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)ccc1Oc1ccc([N+](=O)[O-])cc1C#N 33709573 OPJMYFLCJCJCND-VCHYOVAHSA-N 451.442 5.516 50 40 JKGB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3C[C@H](Br)C(=O)[C@@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 34909192 KPIZABGNNPKJMS-UFGVYSDASA-N 483.531 7.115 50 40 JKGB COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2c(F)cccc2Cl)cc1Cl 38700611 JOERJZMMXFUHBN-NRFANRHFSA-N 485.298 5.578 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1ccccc1Cl 40007470 NHGVIXRQZUQVOO-XQNSMLJCSA-N 460.961 5.584 50 40 JKGB N#C/C(=C(/Nc1cccc(Cl)c1)SCc1ccc(F)cc1)S(=O)(=O)c1ccccc1 56918339 IOWKENUSFSPHAU-QURGRASLSA-N 458.967 5.991 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc2c(cc1C)N(C)C(C)(C)C=C2C 208455747 HDMXUQHHGZTDTR-DHRITJCHSA-N 456.384 5.162 50 40 JKGB C/C(=N\NC(=O)[C@@]1(C)NC2(CCCCC2)Cc2ccccc21)c1ccc(Br)cc1 408734268 MNKPTSHWKBMLCX-OINMWHHXSA-N 454.412 5.053 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 408744969 OEVZBFZGZLTQQP-ODLFYWEKSA-N 467.352 6.435 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(OC)c1 408752663 JDBIHXFARMIEOD-XQNSMLJCSA-N 464.521 5.982 50 40 JKGB N#C/C(=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 408789285 IJCTWRMHSIXWAD-KGENOOAVSA-N 496.397 7.695 50 40 JKGB CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Br 408794792 KAZNBLQTEMMNDF-OVCLIPMQSA-N 463.759 5.754 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408797950 UNHUTOHGLZMYOG-CXUHLZMHSA-N 475.734 6.911 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(Cl)c1OC(C)C 408800277 LMCHGCYZCBDQDS-FYJGNVAPSA-N 476.960 6.260 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(O)cc1 408800809 PMUSCSNMWOGBIR-GZTJUZNOSA-N 483.749 5.933 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12 408808231 FPKVNXQZSZEZMT-XSFVSMFZSA-N 474.391 7.159 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccc3ccccc23)cc1 408811435 NSAQNQSWRCUSRY-JJIBRWJFSA-N 478.548 6.372 50 40 JKGB Cc1ccsc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 408839035 LWKFFENJVNAFEV-WYMPLXKRSA-N 452.992 6.341 50 40 JKGB Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 408867882 MLOLFSPMFCDTKT-PXLXIMEGSA-N 486.493 7.292 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(Cc2ccccc2Br)c1 408871240 YLZDMDXIZKOPSP-XDHOZWIPSA-N 465.322 5.733 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OCc1ccc(Cl)cc1 408881504 LLKQUCOMLAVYSB-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(I)cc3)cc2)cc1 408885683 DUKYDLXPGRBYHH-XSFVSMFZSA-N 494.332 5.724 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Cl)c1OCc1ccccc1C 408922216 FBCXWKPOXPXGLL-UVHMKAGCSA-N 495.988 5.620 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(C(=O)O)cc1 408923534 JIPQXXBRDWMYOH-CPNJWEJPSA-N 477.314 5.272 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2Cl)cc1 408984065 POPTVDXMPRWZSH-OCKHKDLRSA-N 485.798 7.388 50 40 JKGB C=CCOc1cccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)c1 409031568 HKQYRLKRHVTINS-LQKURTRISA-N 489.000 6.536 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccccc2Cl)cc1)c1cc(-c2ccccc2)nc2ccccc12 409035360 JRHKZIHYAVWUGS-MZFJOGFUSA-N 491.978 6.898 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1OCc1ccc(F)cc1 409075540 WUSKDEKSFBXYQD-KGENOOAVSA-N 460.480 5.827 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(OCC)ccc4o3)c2C)cc1 409187819 UPYPJSOSLDBIQN-NTFVMDSBSA-N 473.529 5.180 50 40 JKGB CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1 409247982 JDKSDZOHXDANPV-QNGOZBTKSA-N 480.534 6.505 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)cc1OC 409309502 IKQFGIXMSOYBGK-VYYCAZPPSA-N 473.356 5.744 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 409357644 BFDTWTKBTMCCBG-YSMPRRRNSA-N 467.363 5.038 50 40 JKGB COc1ccc([C@H](CCN(Cc2ccc(OC)c(OC)c2)C(=O)CCl)c2ccccc2)cc1 1296627 ATTHFEKWVPZFSA-XMMPIXPASA-N 467.993 5.502 50 40 JKGB Cc1ccc(-c2csc(N(NC(=O)Nc3ccc(Cl)cc3)C(=O)Nc3ccccc3)n2)cc1 1415239 LTQCWJQGQMUMOL-UHFFFAOYSA-N 477.977 6.547 50 40 JKGB Cc1cccc(N/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1C 2287438 CUADWWJSFDFEHF-WJDWOHSUSA-N 478.371 6.272 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)cc1 2310771 UUOYUKYJKSHZDD-QHCPKHFHSA-N 463.990 5.449 50 40 JKGB CCC[C@H]1Nc2c(C(=O)O)ccc([N+](=O)[O-])c2[C@H]2[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]21 6078131 COGRKLXBUHSTNJ-NNOFZCPDSA-N 491.953 5.667 50 40 JKGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Br)c1 8722722 VQPNGUTWDSRJRT-NGNZWAJUSA-N 453.380 5.630 50 40 JKGB O=C(N/N=C/c1cccc(Br)c1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 8762327 AYZDVDKBPZXFMC-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB CCOC(=O)C1=C(CSc2cccc(Cl)c2Cl)OC(N)=C(C#N)[C@H]1c1ccc(C)cc1 8768112 LAGSYWOFSKRTFS-LJQANCHMSA-N 475.397 5.719 50 40 JKGB C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccc(Cl)cc1Cl 8905272 IQSPKGGKPDDOMQ-NTFVMDSBSA-N 483.424 6.024 50 40 JKGB N#C/C(=C\Nc1ccccc1OC(F)(F)[C@@H](F)Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 9044960 LLTPCLKVQJZCOY-YFPIXMDGSA-N 480.855 6.201 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9057374 BAAARGSVVBFDLW-DHZHZOJOSA-N 462.676 6.361 50 40 JKGB C[C@]1(c2ccc(Br)cc2)CC(c2ccc(Br)cc2)=C(C#N)C(=N)C1(C#N)C#N 9086691 LKMFUZPFWRMTET-OAQYLSRUSA-N 494.190 5.904 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 9259114 OTYCMOSITOYVNE-BOPFTXTBSA-N 488.307 6.421 50 40 JKGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC 9263084 LRXZGGNXCCWAHL-OQLLNIDSSA-N 459.727 5.059 50 40 JKGB COc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCCOc1ccc(Br)cc1 9762102 HIIUKMBZOSIKLT-PCLIKHOPSA-N 484.350 5.071 50 40 JKGB CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C(\C)c2ccc3ccccc3c2)cc1 12411237 CONTTYJYNALHKE-AIJKEUIWSA-N 491.591 5.940 50 40 JKGB CC1(C)[C@H](c2nc3ccccc3[nH]2)CC[C@]1(C)C(=O)N/N=C/c1ccc(Br)cc1 16740807 KOYLXBQSRCOEFD-HQUHOLMRSA-N 453.384 5.386 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 27520114 BGMIPMDTXOESTI-AJBULDERSA-N 457.533 6.245 50 40 JKGB O=C(CCn1c(-c2ccccc2)c(-c2ccccc2)c2ccccc21)N/N=C\c1cccc(O)c1 33394977 YSUOYJUUDMSIKP-YQYKVWLJSA-N 459.549 6.221 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)c1C 59201463 KOXWILPORHDOFI-UDWIEESQSA-N 495.804 6.844 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)cc1Cl 59333620 PUNBZIGKOBJNDB-NSIKDUERSA-N 484.177 5.339 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccc([N+](=O)[O-])cc1 95100368 XVIMEBIKEZSTON-LDADJPATSA-N 486.509 5.338 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@H]1c1ccco1 100435666 MYMDUMYRULQKOB-QFIPXVFZSA-N 483.977 5.039 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)c2)cc1C 107676956 DPZWDMXCQLCULG-CCVNUDIWSA-N 475.932 5.484 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(Br)cc2)cc1OC 107952684 ZXIWTHJWFTZPDW-OYKKKHCWSA-N 467.791 5.834 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC 110376091 LZUKPCBXWOHRQS-PXLXIMEGSA-N 469.025 7.250 50 40 JKGB CCN1c2cc(C)c(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2C(C)=CC1(C)C 208518950 MLYSLDGFYPYNMN-VYYCAZPPSA-N 480.406 6.289 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCc1ccc(F)cc1 209484046 ODEDCQVSVGVRBQ-RGVLZGJSSA-N 499.323 6.391 50 40 JKGB CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3Br)o2)cc1 252505831 VUCTZKRXKOENPW-LFIBNONCSA-N 453.311 6.517 50 40 JKGB Cc1c(Cl)cccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1C 408552581 KABADKHINGLCIL-XDHOZWIPSA-N 475.017 6.414 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc1Br 408764820 VQDUSGMGJQZGLW-ZSOIEALJSA-N 492.167 5.359 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc3ccccc3c2)cc1 408788288 JJYQXEIPMONEGX-ZVHZXABRSA-N 452.941 6.926 50 40 JKGB Cc1ccc2ccccc2c1COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1 408799737 IDKNZJXQHWVAAO-KGENOOAVSA-N 487.386 7.580 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccc2n1Cc1ccccc1Cl 408806911 CDARLJVFOICPIM-LKZQPVPRSA-N 453.973 6.436 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1Cl 408819360 RNZKSPKNKZYYSF-BHGWPJFGSA-N 491.287 5.179 50 40 JKGB Cc1sc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)c(C#N)c1C 408859108 STAFGSWDAPOSEZ-UUYOSTAYSA-N 467.598 5.391 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=N\NC(=O)c3cc4ccccc4o3)cc2Cl)c1 408859110 WOWIOIBUTHZXBL-WKIKZPBSSA-N 453.325 6.391 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3cccc(F)c3)c(OC)c2)cc1 408864830 ABIREVKEFLSTKP-RGVLZGJSSA-N 492.934 5.801 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccccc1Br 408888811 BBBVPJOIZGGJKU-FYJGNVAPSA-N 491.385 6.199 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1OC(=O)c1ccccc1 408892774 CWPMLCAXPNFCAR-LDADJPATSA-N 491.887 5.412 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408983171 FUQBTNFECLRBPE-WQRHYEAKSA-N 471.771 7.080 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Br)o1)c1ccc(Cl)cc1Cl 409002354 NJDAPMZFDLBTQR-AUEPDCJTSA-N 481.133 5.365 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl)c1nc2ccccc2[nH]1 409059645 WAAPWCWHOLJUTH-CXUHLZMHSA-N 454.744 7.166 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1OCc1ccc(C(=O)O)cc1 409072376 VGIWTEGJOMEXTO-HZHRSRAPSA-N 498.535 5.342 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)NCCCc1ccccc1 409228289 WTQCIUXTUYYZDS-HKWRFOASSA-N 495.457 6.062 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2)c(C)c1 409262301 HOCNXDRGFJHAHY-XSFVSMFZSA-N 459.933 5.520 50 40 JKGB O=C(CNc1ccc(Br)cc1)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 409357061 IJDJWBWRQAQZIZ-XODNFHPESA-N 479.353 5.153 50 40 JKGB O=C(NNC(=O)c1cccc(Oc2ccccc2)c1)c1ccc(COc2cccc3cccnc23)cc1 3294368 KQMCTNQTMDVDFP-UHFFFAOYSA-N 489.531 5.681 50 40 JKGB CCCNC(=O)NN(C(=O)Nc1ccc(Cl)cc1)c1nc(-c2ccc(OC)cc2)cs1 3768112 JUCHUPSFUZGFSM-UHFFFAOYSA-N 459.959 5.135 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccccc2Cl)c1 9203342 MOQIYMJAEOWCBT-AFUMVMLFSA-N 457.755 5.374 50 40 JKGB CCc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(Br)c4)CC(=O)N3C2)cc1 9693431 ONVLCWBGCOXKEG-LJQANCHMSA-N 454.393 5.231 50 40 JKGB CCC(C)(C)c1ccc(OCCCC(=O)N/N=C(\C)c2ccc(Cl)s2)c(C(C)(C)CC)c1 12555644 KXLXATJHNRGWPG-MTDXEUNCSA-N 477.114 7.476 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1ccc(Cl)cc1Cl 13590411 KCRJPLAKSDPOOS-QYDZBGTDSA-N 475.416 6.248 50 40 JKGB CC[C@H](C)c1ccc(-c2cc(C(=O)NN=C3CCN(Cc4ccccc4)CC3)c3ccccc3n2)cc1 20573333 VPZNUIPDGZITPN-QHCPKHFHSA-N 490.651 6.797 50 40 JKGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1OCc1ccccc1Cl 32519937 JGQHQJLLGSTHPL-DHRITJCHSA-N 450.951 5.038 50 40 JKGB N#C/C(=C/C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2Cl)CC1)C(=O)Nc1ccccc1F 33691710 RHRADDNSRSJNRL-DKPWPWCWSA-N 498.385 5.985 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)Sc1nc2ccccc2s1 33748545 GKFBHFLEPVSGLL-YBFXNURJSA-N 492.456 8.263 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 39884650 LOOSCNFCWJARLV-YRNVUSSQSA-N 452.124 7.106 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(O)(c1ccccc1)c1ccccc1 59410798 ITJFACPKTRVATK-NDZAJKAJSA-N 470.956 5.305 50 40 JKGB C[C@@H](NC(=O)COc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1)c1ccccc1 83293327 JIVTZQYSTSJUHB-GIALDPDPSA-N 491.591 5.225 50 40 JKGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 102623731 MCQIVHRJFOVENK-DEOSSOPVSA-N 478.017 6.544 50 40 JKGB O=c1n(-c2ccc(F)cc2)c2ccccc2n1[C@@H](CCI)c1ccccc1 261829905 YJIBDUUHFMUKMM-IBGZPJMESA-N 472.301 5.346 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1cccc(C)c1 408543693 SDEJEZDXFXFKTK-NHDPSOOVSA-N 478.342 6.108 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1)c1nc2ccc(F)cc2[nH]1 408568918 XMEBKGWQHILYQE-MFOYZWKCSA-N 492.304 5.806 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1Cl 408725222 ISYXEZDLXSTCTN-JAIQZWGSSA-N 481.379 6.744 50 40 JKGB N#C/C(=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 408762920 CNJZHGHOYNSVEU-YBEGLDIGSA-N 471.727 6.412 50 40 JKGB CC(=O)Oc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1Cl 408764645 XZHASVZHSTYDME-SDQBBNPISA-N 454.107 5.227 50 40 JKGB N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)Nc1cccc(Br)c1 408765874 RFCXYDNBKYXEPF-QGOAFFKASA-N 499.368 5.588 50 40 JKGB CC(C)NC(=O)/C(C#N)=C\c1cc(Br)c(OCc2ccccc2)c(Br)c1 408783151 LNRWNHTYMONOFE-PXNMLYILSA-N 478.184 5.222 50 40 JKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c1 408791306 YNWPCCMWIWBXQO-GDNBJRDFSA-N 451.866 5.841 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408799005 XRFGMKLVCJNTLA-RQZCQDPDSA-N 479.876 5.087 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)C(=O)Nc1ccccc1F 408802776 HGVMSERJNZCOCV-QGOAFFKASA-N 474.333 6.137 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408808942 FYTGYABWQADXNA-MDWZMJQESA-N 457.269 5.506 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3F)c2C)sc2c1CCCC2 408809953 HVJCNRFBZTUCBN-XMHGGMMESA-N 491.588 5.896 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Br)cc1 408892670 CJQATCMLZMVNTN-LDADJPATSA-N 497.776 6.236 50 40 JKGB Cc1cc(C)cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1 408893744 HFUIASLSVRHGNU-UDWIEESQSA-N 495.804 6.844 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 408895589 LLNVJXUZPBLUQU-CPNJWEJPSA-N 496.972 5.361 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)c3ccc4ccccc4c3)c2C)sc(C)c1C 408998223 UBSBQCVCXNNMMX-MBTHVWNTSA-N 473.598 5.866 50 40 JKGB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(Oc4ccccc4)cc3)cc2)cc1 409119960 RJHWVAZINHMPIX-ZTKZIYFRSA-N 499.592 5.376 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 409123429 GFVDACSPZLRKHP-QFIPXVFZSA-N 473.743 6.150 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 409200953 KRLJKGXSRRQTDF-XODNFHPESA-N 494.979 5.315 50 40 JKGB CCc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 409366161 YKGBANJSOHKIOK-YSMPRRRNSA-N 496.361 5.192 50 40 JKGB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1 839870 XJLQAAVWVKANFR-ZTKZIYFRSA-N 499.592 5.209 50 40 JKGB COc1ccc(Cl)cc1N/C=C(/C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 2287243 PWYSXYKFDUOUFG-SSZFMOIBSA-N 485.952 6.708 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 9289353 YZRRNOCLEAISHM-WSDLNYQXSA-N 462.141 5.164 50 40 JKGB COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 9428223 DBWRYUGPEMVRKO-PKAZHMFMSA-N 492.004 5.229 50 40 JKGB Cc1ccc(NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 9730838 SPOBORWAGOKGQN-UVHMKAGCSA-N 456.329 5.083 50 40 JKGB COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@]4(C)[C@@]3(O5)C(=O)[C@H](Br)[C@@]21C 12660844 XDHSPKUJYNEBHS-MBUWQYBRSA-N 481.471 5.308 50 40 JKGB biogenic COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 13189333 JEIBJYIMBIJFFV-VWLOTQADSA-N 487.625 5.441 50 40 JKGB CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 13923386 QILIFMVHGJKSEE-MZJWZYIUSA-N 486.355 5.060 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(CSCc2ccccc2)cc1 16480336 RZASLBAHNLPKRK-NDZAJKAJSA-N 466.606 6.463 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@H]1c1cccs1 20028760 RYTMKUCVCYXOKY-QFIPXVFZSA-N 479.627 5.162 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@H]1c1ccccc1Cl 20348483 QIOMSPAPMFRDDI-HSZRJFAPSA-N 497.979 5.276 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc(Br)cc1 33528743 CBVPRDBYELFCBS-WOJGMQOQSA-N 464.319 5.101 50 40 JKGB CCCCCOc1ccccc1CN1C(=O)/C(=N\NC(=O)c2ccccc2Cl)c2ccccc21 46084988 MECQXIFLVXYWMF-GNVQSUKOSA-N 475.976 5.590 50 40 JKGB Cc1ccc(Cl)cc1N(CC(=O)NN=C1CCCCCCC1)S(=O)(=O)c1ccccc1 59401694 VSUVXVXLCAGEHS-UHFFFAOYSA-N 462.015 5.060 50 40 JKGB O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1c(Cl)cccc1Cl 59459340 KGWCTEYCLSTCHD-AUEPDCJTSA-N 456.167 5.164 50 40 JKGB Cc1ccccc1-n1c(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)nnc1-c1cccnc1 102190055 ZNMMNYYTDHQIRG-MOHJPFBDSA-N 482.594 5.252 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408535023 XENNCAQAZCFOKC-PNQUVVCRSA-N 496.316 6.153 50 40 JKGB Cc1c(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c2ccccc2n1Cc1ccc(F)cc1 408591948 WQTQCJZKQGAECS-FDAWAROLSA-N 455.577 6.127 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)c1 408746846 WPUFRGIFHZXLTO-BKUYFWCQSA-N 487.512 5.517 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1OCc1ccc(Cl)cc1 408792141 IPLDMKACEKWMHF-KGENOOAVSA-N 490.943 5.650 50 40 JKGB O=C(O)c1ccc(COc2c(Cl)cc(/C=N\NC(=O)c3cc4ccccc4o3)cc2Cl)cc1 408854567 INRNXPHQPUKCSJ-PPDIBHTLSA-N 483.307 5.781 50 40 JKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2Br)c1 408865758 FFNMOTXJOFFGTC-ZMOGYAJESA-N 473.414 6.819 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(Br)c2)cc1C 408868553 MWRMGUNDSCULLO-CIAFOILYSA-N 463.350 6.342 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1cccc(Br)c1 408889554 FEQULDSIBFTLFP-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cn(Cc2cccc(C)c2)c2ccccc12)c1ccccc1 408981200 VFCQJTOUIKIRQO-TWKIEXGSSA-N 482.584 5.326 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(OC)c1OCc1cccc(F)c1 409017915 JKPXXNLDPCBRMP-MNDYBZJGSA-N 492.934 6.305 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)cc1 409029585 BPXYDTVFJXPNKV-DXJNIWACSA-N 489.531 6.102 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc(C)cc2)cc1 409053395 CHEQHDQOYXHWKA-RGVLZGJSSA-N 495.362 6.213 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1ccc(Cl)cc1 409064723 DUXCZOIUCGABCP-HZHRSRAPSA-N 474.944 7.019 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)c1 409250811 MXXLUCXAFSLRNT-UNOMPAQXSA-N 494.378 6.173 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(c1ccccc1)c1ccccc1 409391048 HFCDLPWQCZMWCI-JVWAILMASA-N 459.889 5.790 50 40 JKGB Cc1c(C(=O)N/N=C\c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)sc(N)c1C#N 1528646789 GVNSTVKLMNRANE-KJJARBMXSA-N 452.845 5.207 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)c1 1176516 ZUOHQBRXBVCZDW-XDHOZWIPSA-N 456.571 5.460 50 40 JKGB N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 1767434 ACLPQYLHIIBVJK-GZTJUZNOSA-N 480.376 6.846 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 2774639 VNDDHQIKXSGFQZ-VUTHCHCSSA-N 451.655 5.916 50 40 JKGB N#Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)cc1 3275325 YQYVDUSECSSQOA-UZWMFBFFSA-N 452.517 6.204 50 40 JKGB CCOC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1F 9015042 AQBYLCXTEKEWSQ-FCHUYYIVSA-N 495.576 5.091 50 40 JKGB Cc1cccc(-c2nnc(SCC(=O)C(C#N)=C3N(C)c4ccccc4N3C)n2-c2ccccc2)c1 9125437 IUOUPCUZPGVCCS-UHFFFAOYSA-N 492.608 5.225 50 40 JKGB O=C(Cc1cccs1)Nc1ccc(SSc2ccc(NC(=O)Cc3cccs3)cc2)cc1 12374981 PNQSGAYMUWWYNX-UHFFFAOYSA-N 496.704 6.971 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2cccc(OC)c2)c(C)c1 16735938 CSKMYFPUZFEDGU-XLNRJJMWSA-N 490.563 5.967 50 40 JKGB Cc1c(Br)c(/C=N/NC(=O)CSCc2ccccc2Cl)c(C)n1-c1ccccc1 20243652 LLHIQWSUDWGPPU-BRJLIKDPSA-N 490.854 5.894 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1ccc(O)cc1 30721925 DZHZDSGSMUVFGF-ZMFRSBBQSA-N 498.395 5.189 50 40 JKGB CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Br 33731918 YFBOCODLXRQBTO-JHAVZTMOSA-N 476.352 5.513 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Oc1nc(Cl)ncc1F 33897140 HPKSXDNBGSQVCZ-MDWZMJQESA-N 459.264 5.269 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl 58871833 KVIOJBADVHZAIG-RWPZCVJISA-N 492.984 6.245 50 40 JKGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 58892726 ZRPFXHGZIARNLP-XZZBMYDMSA-N 488.415 5.764 50 40 JKGB C[C@@H](I)C[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 95677026 BQEKWBVYUIERMQ-DMTCNVIQSA-N 454.017 5.235 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(C2CCCCC2)cc1 96399174 JYRWPAMOVWKFCJ-FSGOGVSDSA-N 453.611 7.165 50 40 JKGB ClCCN(CCCl)c1ccc(/C=N/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1 104341922 HQJWFFOHXOAQGJ-XUIWWLCJSA-N 488.290 5.708 50 40 JKGB Cc1ccc2c(c1Cl)N[C@H](C(=O)O)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 254029408 YCLFNFMIGLHWRQ-DKYAAYMKSA-N 453.347 5.307 50 40 JKGB N#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 408753542 JKBNMUVDMSPYPS-RUDMXATFSA-N 490.966 5.770 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cccc(Cl)c1 408757109 ZVFTYJAUNDPDOP-WOJGMQOQSA-N 467.750 6.227 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 408768157 UHEJHNHKRZTMRX-JWGURIENSA-N 452.941 6.926 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 408786061 KREYMKYOCYWPEJ-JAIQZWGSSA-N 481.379 6.744 50 40 JKGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 408794939 KNLJDJJFBXFAOP-QGOAFFKASA-N 495.457 5.277 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 408806718 BNAZYURZULUNCS-IWIPYMOSSA-N 483.524 5.134 50 40 JKGB CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 408829956 PCCFIGVHYIXAQW-CPNJWEJPSA-N 467.352 6.517 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc(C)c(C)c1 408865750 FBRBGLVXLJXKAG-CIAFOILYSA-N 478.951 6.619 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3Br)ccc3ccccc23)c(C)c1 408866620 HGFIAGISCZVABI-JJIBRWJFSA-N 495.420 7.356 50 40 JKGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408878821 BPXWTIOEZHKBAH-AVJHZQLJSA-N 454.401 6.273 50 40 JKGB COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)c1 408884358 YRXYSDWSPJJFFZ-MDWZMJQESA-N 480.156 5.083 50 40 JKGB N#C/C(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl 408884788 VUCYOYRQQZRTEA-RVDMUPIBSA-N 492.189 7.425 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)c(C)c1 409224970 MVWUMDMJNSDHKI-XDHOZWIPSA-N 494.378 6.173 50 40 JKGB N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 409233938 IRMXLZLPVCIERZ-RAXLEYEMSA-N 454.433 5.872 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1OCC 409319508 HJGRVCCFMREQBQ-MWLSYYOVSA-N 499.394 6.300 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1ccc(I)cc1 409367812 LOHPVQHZZYEAFN-LCYFTJDESA-N 460.202 5.663 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(I)cc2)cc(Br)c1OCC 409368339 YSBKAGVBENIDEF-DHDCSXOGSA-N 498.158 5.915 50 40 JKGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)CNc3cccc4ccccc34)o2)ccc1Cl 409393717 ZGNYJYKSXJENHI-WKULSOCRSA-N 475.932 5.492 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCC(=O)c3ccc(C)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 2202823 WSJZOMKUUIXKRA-RUZDIDTESA-N 472.610 5.685 50 40 JKGB N#CC1=C(SCC(=O)c2ccc(Br)cc2)NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 2212468 IVQYMRAIZWGNPQ-FQEVSTJZSA-N 469.360 5.087 50 40 JKGB Cc1ccc(C(=O)N/N=C2\C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)c(Cl)c1 2315403 IQOKTOWFKMQPHG-QYQHSDTDSA-N 496.792 5.134 50 40 JKGB C=CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3cccs3)cs2)c(C(=O)OCC)c1C 2391466 XPJXCJDDGZVLBN-KAMYIIQDSA-N 485.612 5.738 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 3034374 VDYFRSRJYCIGGI-RWPZCVJISA-N 465.336 6.450 50 40 JKGB Cc1ccc(C(=O)[C@H]2C[C@@H](Br)[C@H](Br)C[C@@H]2C(=O)c2ccc(C)cc2)cc1 5085542 XZYYQGVVCUOYTR-VNTMZGSJSA-N 478.224 5.922 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(C)cc4C)c32)ccc1OC1CCCC1 8382721 MQCOFGRKTVNQBN-HSZRJFAPSA-N 456.546 5.242 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(Cl)cc1 9295837 VGEVYUCTHXQUTK-WOJGMQOQSA-N 497.776 6.236 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4o3)c2C)sc2c1CCCC2 9311504 RUFCYYMQRAPFIW-RWPZCVJISA-N 489.597 5.721 50 40 JKGB Cc1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3ccc(C)c(C)c3)ccc2O)c([N+](=O)[O-])c1 9355304 OXUMHPJSDOBDAC-ZGQMNJRFSA-N 461.478 5.170 50 40 JKGB CCOC(=O)c1csc(N(NC(=O)Nc2ccc(C)cc2)C(=O)Nc2ccc(Cl)cc2)n1 16956823 FQJDIRCXPKJMRE-UHFFFAOYSA-N 473.942 5.057 50 40 JKGB COc1cc(-c2cc(-c3cc([N+](=O)[O-])c(/C=N/NC(=O)c4ccncc4)o3)ccc2OC)ccc1C 16958078 AHMKICSBJKVXCO-RWPZCVJISA-N 486.484 5.006 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1C 27018609 YZYILCYTVGNJSV-HKOYGPOVSA-N 476.580 6.491 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1cccc([N+](=O)[O-])c1 33689261 LMZVVJGCQYPVTG-XKZIYDEJSA-N 485.337 7.154 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(Cl)c(Cl)c1 33689851 KAFDLPGNOQUXLN-GATIEOLUSA-N 487.368 6.288 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(=O)OCC(C)C)cc3)n2)cc1OC 40476989 JOYLXTGXJPDYDX-CPNJWEJPSA-N 463.559 5.617 50 40 JKGB O=C(CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31)N/N=C/c1ccccc1 57061391 AVFISANCMIGZNB-WSFYNJOLSA-N 454.618 5.532 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)c(C)n1-c1ccc(Br)cc1 58912823 XEZUIGYOOUNSFL-VULFUBBASA-N 481.394 5.069 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 59248050 WUIVNAWQAGOMPU-WKULSOCRSA-N 488.975 5.617 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1F 59336474 PSTHVKSJFYMFNG-ZHZULCJRSA-N 481.354 6.986 50 40 JKGB CCOC(=O)/C(C#N)=C/c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 97982957 BIDHIISJVSJQCM-HPNDGRJYSA-N 476.536 5.651 50 40 JKGB C/C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)=N/NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C 103762668 JGHXQDMREUSAKV-RMUDKFHISA-N 498.469 5.384 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1F)c1ccc([N+](=O)[O-])cc1 107838595 RYJNZSRLCBKHES-GZTJUZNOSA-N 451.841 5.469 50 40 JKGB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@@H](Cl)[C@@]2(Cl)C1 169795110 JFNJWGVLTHTDCN-YILKZWTPSA-N 499.607 8.618 50 40 JKGB O=C(Nc1ccc(OCCBr)cc1)C1(c2ccc(Cl)cc2Cl)CCOCC1 225581950 PSGVVSYMUGLBRG-UHFFFAOYSA-N 473.194 5.454 50 40 JKGB COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Br 408551566 NQPQIAZGZFBZRL-WUXMJOGZSA-N 476.783 5.469 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(Br)cc1 408579625 IUAQTKXTGMFUFL-QGOAFFKASA-N 467.750 6.184 50 40 JKGB Cc1ccc(-c2ccc(/C=N\NC(=O)c3ccc(N4CCCC4)cc3)o2)c(Br)c1 408678327 XFRLWDSWACJZPH-MYYYXRDXSA-N 452.352 5.382 50 40 JKGB O=C(N/N=C/c1cccc(Br)c1)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1 408724233 INSFOUIPMBTSDV-RDRPBHBLSA-N 495.380 6.219 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1cccc2ccccc12 408735646 VPRRMALPVZGSNV-LFVJCYFKSA-N 496.994 7.325 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(\C#N)c3ccc(C(F)(F)F)cc3)c2C)sc2c1CCCC2 408742374 OPGGRPOELJSULW-XSFVSMFZSA-N 498.570 7.294 50 40 JKGB CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 408751219 XVXGBTWPJYBERN-COEJQBHMSA-N 451.570 5.043 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccccc1C#N 408791922 FIWSGKBYAVUINN-SRZZPIQSSA-N 457.917 5.653 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1ccc(O)cc1 408799375 YVMWLKIHPZRTDO-CXUHLZMHSA-N 473.743 6.477 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408817594 NPSDFSXWKOMDRE-ODLFYWEKSA-N 494.906 5.701 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1Cl 408823306 NRJARPDULFVRDA-LDADJPATSA-N 497.776 6.236 50 40 JKGB O=C(NNC(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1)c1ccccc1 408849410 YIDHMZYKXKRRSP-UHFFFAOYSA-N 484.364 5.535 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12 408853827 XVXSVEQIVRGFLM-STZFKDTASA-N 490.390 6.320 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1Cc1ccccc1Cl 408875889 MBESZAWZGFPJAC-YBFXNURJSA-N 499.825 7.490 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Br)C(=O)Nc1ccc(O)cc1 408877806 XAHROKLDKQDIEA-LDADJPATSA-N 467.750 5.945 50 40 JKGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408882991 SFCCFTCYPTXJMY-IPPBACCNSA-N 493.415 7.207 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)c([N+](=O)[O-])c1 408923528 JHQCUWMBIOELKG-RCCKNPSSSA-N 479.492 5.881 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)NCc1ccco1 408927590 QMRHWLBDALZULS-LZYBPNLTSA-N 461.732 6.042 50 40 JKGB C#CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OCC 409016761 IMDZDTCHLCCSCR-MSXFZWOLSA-N 475.726 5.023 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1C 409270651 GRMQFVKBSWKPBV-DEDYPNTBSA-N 493.485 5.885 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 409315438 VMCWSXXMXKCJPS-MZJWZYIUSA-N 457.357 6.043 50 40 JKGB O=C(CNC1CCCCC1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 409370123 LLRRRQMWIAQCPB-XODNFHPESA-N 457.405 5.369 50 40 JKGB CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3cccs3)nnc2-c2ccccc2)cc1 1243257 LRSMCRFADAOYSV-KOEQRZSOSA-N 477.615 5.027 50 40 JKGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(F)cc1 1790233 YCHRCQNRSWEONM-OBKVJGTNSA-N 465.333 5.122 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1cc(C)c(Cl)cc1C(C)C 2274762 CJCDORPWRAASPI-XODNFHPESA-N 451.954 5.518 50 40 JKGB CC[C@@H](c1ccc(OC(=O)NCCCl)cc1)[C@@H](CC)c1ccc(OC(=O)NCCCl)cc1 5103540 XAKNMEXJDPUAGG-VXKWHMMOSA-N 481.420 6.028 50 40 JKGB N#C/C(=C/c1ccc(O)c(Br)c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 8400491 WXZXFCRFHODDLY-ACAGNQJTSA-N 496.298 5.357 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@H](c3ccc(F)cc3)Nc3ccc(Cl)cc3[C@@H]2[C@@H]1Cl 9035477 ZFEGTITZQRQEDZ-LVTPPWGZSA-N 489.399 7.426 50 40 JKGB CC(C)c1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 9089752 RFDNKVWRRNSFFP-SFQUDFHCSA-N 492.398 6.779 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cccc(OCc2cccc(Cl)c2)c1 9204389 ZXGBZLNRWFVGER-AFUMVMLFSA-N 457.755 5.374 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1ccccc1Cl 9427573 CFJLQZSLRZFWQJ-OVVQPSECSA-N 482.053 6.045 50 40 JKGB Cc1cc(OCCn2cc(/C=C(\C#N)C(=O)NCc3ccco3)c3ccccc32)ccc1Cl 15931737 JNKMNAUAQFQMCX-XMHGGMMESA-N 459.933 5.499 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(F)cc4)c(Cl)c3)[nH]c2c1 33899483 REPVJUMYTDEFFM-MFOYZWKCSA-N 452.316 6.960 50 40 JKGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(O)CC(C)(C)CC2=N1 102575657 JKDKZQQRFMMSKP-XMMPIXPASA-N 492.044 6.926 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl 108845445 HHMRMVINDJXETF-ODLFYWEKSA-N 469.324 6.943 50 40 JKGB CCCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC 108977660 FPPJVDMQGVHHJW-SFQUDFHCSA-N 473.367 5.581 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Cl 408540992 XAPIJHVITRIOTQ-YSMPRRRNSA-N 455.813 7.150 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2cc(Cl)ccc2OC(C)C)c(C#N)c1C 408546460 JSGIJTCZEZSHFZ-PXNMLYILSA-N 456.951 5.264 50 40 JKGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1 408552230 IHGAYMCCFMFVRC-LFIBNONCSA-N 484.314 5.696 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 408581063 UABYSRVHGOMMGR-GIJQJNRQSA-N 493.217 8.342 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(C(C)(C)C)cc3)c2C)cc1 408589912 NLDZSOYIYYFGSK-RDRPBHBLSA-N 459.590 5.261 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(Br)cc1 408589964 NRUBDIIRJCTXRZ-JVWAILMASA-N 466.423 5.847 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccccc1C#N 408746250 CYGUIIUIHPSAOW-JJFYIABZSA-N 457.917 5.023 50 40 JKGB CCc1ccc(-n2c(C)cc(/C=N\NC(=O)COc3ccc(-c4ccccc4)cc3)c2C)cc1 408760181 TYLHBPKUULOJGY-FSGOGVSDSA-N 451.570 5.853 50 40 JKGB O=C(N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)Nc1ccccc1Cl 408818204 NFXGTUZARFYYPY-YVNNLAQVSA-N 485.190 6.656 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(C)c(C)c1 408819266 YXAIGTNYPFRDEK-KEBDBYFISA-N 481.379 6.744 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1 408830693 YUKIRAMRFAGAIQ-YUMHPJSZSA-N 458.905 5.778 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 408861314 QEVTYKDICUSBAO-LDADJPATSA-N 476.363 6.551 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1 408865068 AWNQLSHOLBDIIU-LDADJPATSA-N 467.403 5.738 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1OCc1ccc(C)c(C)c1 408871913 ZLNWAVULMKDTCX-ZVHZXABRSA-N 489.015 7.043 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Cl)c1OCc1ccccc1 408885952 HEQGZWZZSFVUGF-LGJNPRDNSA-N 481.961 5.311 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OS(=O)(=O)c1ccc(C)cc1 408891066 KSWRPGDCKKARBX-XMHGGMMESA-N 496.972 5.361 50 40 JKGB Cc1ccc(Sc2oc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Br)cc1 408913614 VRSBNZNFAJYBTF-SRZZPIQSSA-N 460.309 5.174 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2o1 408966313 ZNXFESGMEQGCEK-OKCVXOCRSA-N 488.503 6.261 50 40 JKGB C=CCOc1cccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)c1 409037185 SKOUDOKYCJRXDH-OGLMXYFKSA-N 468.582 6.191 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc(Cl)c1OCc1ccc(F)cc1 409098926 RJOIYPQDRXHLIO-QHCPKHFHSA-N 480.879 5.014 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)n1 409231529 LAOGNVNEJLGAEJ-OPEKNORGSA-N 475.401 5.222 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1OCC 409324282 RWQWCOSRMCGLTG-QRQIAZFYSA-N 464.949 5.646 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(Br)cc1F 867558 IKMBAPIIEDOXPI-LDADJPATSA-N 451.295 5.713 50 40 JKGB COc1cc(/C=N/c2cc(Cl)ccc2-n2ccnc2)ccc1N(CCCl)CCCl 1727748 MHIXMKSESUHZLW-VULFUBBASA-N 451.785 5.569 50 40 JKGB CCc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@]21C(C#N)=C(N)OC2=C1C(=O)CCC2 2231259 GIBPYHQAWRMZBY-JSOSNVBQSA-N 493.607 5.053 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1sc2c(c1C#N)CCCC2 4081806 PETIAHSEZKQEMI-QJOMJCCJSA-N 495.652 5.162 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(Br)cc1OCc1ccc(C)cc1 4196405 SYVUBBMHIGFAQV-RGVLZGJSSA-N 468.778 7.063 50 40 JKGB CCCCSc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1 8846173 HNOYDZQYBARWAK-HHHXNRCGSA-N 493.636 6.232 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 9057351 NFHAIEORISOMQM-QGOAFFKASA-N 461.861 5.322 50 40 JKGB COCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)cc1 9065503 CCXWBPOHPXFIAG-PTGBLXJZSA-N 472.589 5.024 50 40 JKGB N#C/C(=C\Nc1ccccc1I)c1nc(-c2ccc3c(c2)OCO3)cs1 9327514 SCXILFXTPIREAN-UKTHLTGXSA-N 473.295 5.120 50 40 JKGB O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2cccc(OCc3ccc(Cl)cc3)c2)[nH]n1 9363640 PYLIDKBWSRGWOB-WKULSOCRSA-N 469.932 5.554 50 40 JKGB COc1ccccc1/C=C\C=N\NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1 9763688 GAZJVMNGBFKMBL-QEISQQTISA-N 452.514 5.093 50 40 JKGB O=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 12311445 LCDZPKIXRCYIEC-UHFFFAOYSA-N 489.622 5.120 50 40 JKGB Cc1ccc(N2C(=O)[C@@H](Cc3cccc(Cl)c3)S/C2=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 13778590 BUWQDXVDDXJDML-QPQMVVSWSA-N 491.975 5.853 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1sc2c(c1C#N)CCCC2 14152098 ASAVVKWEGOYIFM-CPNJWEJPSA-N 497.023 6.701 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccccc1 23411055 SRUGSEITRCTKEG-RDRPBHBLSA-N 474.557 5.131 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 26123711 SMFJJSXKDGYWPK-MFKUBSTISA-N 453.336 5.191 50 40 JKGB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(O)cc1 33282856 IFMUQIYFGFHKPB-WJDWOHSUSA-N 452.919 5.496 50 40 JKGB Cc1cccc(C(=O)N/N=C/c2cn(Cc3ccc(I)cc3)c3ccccc23)c1 33560690 ZQRHEKUGRBAPSL-VULFUBBASA-N 493.348 5.367 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(C)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 33591731 CHEOCTSVNRVYLJ-DHRITJCHSA-N 498.333 5.017 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccc(C)cc1 34880603 WPWDXRFTYJMEAD-JAIQZWGSSA-N 488.385 6.594 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12)C(=O)NC1CC1 59087236 LTOBEMAZCVJGMI-OQLLNIDSSA-N 454.755 5.291 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 59117632 CSWBHKDZSCSNNZ-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB CN(/N=C/c1cccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)c1)C(=O)c1ccc(Cl)cc1 91695289 OXNSTMUHYOXXJR-CCVNUDIWSA-N 460.887 5.593 50 40 JKGB CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(C)C)CO[P@](C)(=O)F 299817374 ZLEFMXNNQCABDB-ICSNCQIESA-N 478.626 8.170 50 40 JKGB in-vitro O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 408533890 TXXJWPWNBBVMKT-VFLNYLIXSA-N 461.871 5.500 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC 408538709 PMSWDQMSLFXDHE-HMMYKYKNSA-N 470.997 6.642 50 40 JKGB CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)cc1 408747364 MWNSAJFWOZMGHD-PGMHBOJBSA-N 491.433 6.249 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)ccc1OCc1ccc(C)cc1 408771307 GWLCQJMRRQDENT-BWAHOGKJSA-N 483.612 6.365 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1ccc(O)cc1 408792811 CIBYWBFKHIRSHL-GZTJUZNOSA-N 467.294 5.418 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccccc1 408796339 OUAVAVYTCYJRBH-WOJGMQOQSA-N 479.330 5.288 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(O)cc1 408802126 DHNXHCHLKGBINM-KGENOOAVSA-N 454.913 6.323 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2cccc(OC)c2)c1Cl 408813225 OTXTWWFLKMELPV-BRJLIKDPSA-N 476.316 5.279 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2ccc(C)cc2)c1Cl 408814113 RNMXWAPEHKOSLQ-BRJLIKDPSA-N 460.317 5.579 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 408824427 QERPLPRTRHGWGD-ZFJBLLOBSA-N 495.406 6.755 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cc2cc(Br)ccc2o1 408852838 JESCGFUEPJSAHU-RMORIDSASA-N 488.681 5.781 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(F)cc1 408855586 GOVBYWUGJAPAHZ-MUXKCCDJSA-N 466.896 5.967 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2cc(C)cc(C)c2)cc1 408881643 LLHNTWUDHZAUEU-OEAKJJBVSA-N 458.945 5.880 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1cccc2ccccc12 408884026 XPAXVLMXONWKGO-LQKURTRISA-N 458.901 5.485 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cc(C)cc(C)c3)ccc3ccccc23)cc1 408884747 YICQGOYPURJYSD-KOEQRZSOSA-N 490.559 6.368 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 408888540 WVGUEIANTNNPGZ-MDWZMJQESA-N 452.810 5.271 50 40 JKGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408900531 VUYWDOCPWFDCQZ-MDWZMJQESA-N 462.687 5.121 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1F 408946949 ZQNRQQOCHQOZIT-STBIYBPSSA-N 470.504 5.114 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccccc1C#N)c1ccccc1 409246181 GBYBRIYAINLUPC-QRAWFLTRSA-N 486.369 5.684 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409300781 BIAJTAZFXHMDTH-UYRXBGFRSA-N 467.437 6.521 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1OCC 409324081 QZQDQPCOVOGMAQ-MWLSYYOVSA-N 496.991 5.797 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccc2c(c1)OCO2 409361379 HBVWBVGAFJHPNW-NVMNQCDNSA-N 468.734 6.474 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1C(C)C 409374561 TVZIHPXDDCVYOX-RCCKNPSSSA-N 480.568 6.167 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccccc1C#N 409391663 JGFSKIMLRNHEHP-FBHDLOMBSA-N 477.333 6.502 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccc(C(=O)O)cc1 2162507 UIOTVAIHWRCHRR-OKCVXOCRSA-N 494.503 5.636 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 2320726 TXYHGJXCGGJZPH-DHRITJCHSA-N 468.003 5.771 50 40 JKGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)cc1 2445504 HXCDWXICKWXVFM-HAVVHWLPSA-N 499.592 5.431 50 40 JKGB CCOP(=S)(OCC)Oc1nc(SCc2c(F)cccc2Cl)nc(C)c1C 2581914 CLBIADIRDRSPRK-UHFFFAOYSA-N 450.925 5.855 50 40 JKGB CC(=O)Nc1ccc(/C=N/NC(=O)c2ccc(CSc3cccc4cccnc34)cc2)cc1 3232506 DERURIFWRLLTFJ-LQKURTRISA-N 454.555 5.249 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 3515346 JHQHAQDHOIUTEQ-HNSNBQBZSA-N 488.513 6.737 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2ccccc2)ccc1OC(=O)c1cccc2ccccc12 4078665 RCWTXNNWYOIEQU-UXHLAJHPSA-N 467.525 5.020 50 40 JKGB CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)cc1 8741444 QEYIOEHUYODGMP-PYCFMQQDSA-N 475.621 6.992 50 40 JKGB CCn1c2ccccc2c2cc(N/C=C(\C#N)c3nc(-c4ccc(Cl)cc4)cs3)ccc21 9008431 AIKIVKOPOKNDME-OBGWFSINSA-N 454.986 7.568 50 40 JKGB Cc1ccccc1C(=O)N/N=C/c1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 9201273 NMVFHDWXJTVJCU-CCVNUDIWSA-N 450.369 6.377 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1c(Cl)cccc1Cl 15228247 BFTZWSAOIXTQRM-PKNBQFBNSA-N 452.124 7.106 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCc1ccc(Cl)cc1 16688455 BYRZZCVUTOIRSN-JCMHNJIXSA-N 490.962 6.731 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1cccc(F)c1 33379972 WMVIMXQRJQXIED-GRSHGNNSSA-N 497.320 6.538 50 40 JKGB COc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 34829244 XHWUYYCTUCUONE-DEDYPNTBSA-N 489.959 5.529 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(C)cc1 59336217 IIGWFPGSQQHPEQ-UNOMPAQXSA-N 467.352 6.435 50 40 JKGB Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3sc4ccccc4c3Cl)cc2)cc1 205123887 XHXMCGRCNFTIOM-UHFFFAOYSA-N 463.946 5.190 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 408539836 ZJEPOHBJRRUBSQ-ATVHPVEESA-N 491.813 6.616 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1 408566989 JNTUFWQWIANSAP-WQRHYEAKSA-N 458.449 5.652 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1 408579571 HZNWSCLRBFPIJQ-RQZCQDPDSA-N 493.217 8.342 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)c3ccc(Br)cc3)c2)cc1 408579666 JIDRKJRCMIOMGO-CPNJWEJPSA-N 454.345 5.589 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1cc(Cl)ccc1Cl 408587642 GOQGFFANGLNYFG-RWPZCVJISA-N 450.369 6.247 50 40 JKGB O=C(N/N=C/c1ccc(Br)cc1)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1 408724257 JBNNZRDSOQYYDK-RDRPBHBLSA-N 495.380 6.219 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OCC)c1OCc1ccc(Br)cc1 408784875 CWVSTFRCONCAEW-BKUYFWCQSA-N 483.406 5.587 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)cc1 408795327 LNBIGZYGRWMVES-RCCKNPSSSA-N 460.917 5.641 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1 408796012 WXZJSPIJQBUNMI-LFIBNONCSA-N 464.861 5.021 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(I)c1OC(C)C 408802999 KFHIMQGHWVHDCG-RQZCQDPDSA-N 490.341 5.250 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OCc2ccc(Cl)cc2)c1 408805184 JHHKQXDZFYUQQV-LICLKQGHSA-N 487.770 6.780 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(OCc2cccc(Cl)c2)c1 408814978 ZYUHQFBQYLQIGP-WOJGMQOQSA-N 453.325 6.127 50 40 JKGB Cc1c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc2n1Cc1ccccc1 408852472 GBNBGGSNAFPQQT-MBTHVWNTSA-N 486.369 6.271 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1cc(Cl)ccc1Cl 408856840 DXXDLTZHFLCHKP-KIBLKLHPSA-N 455.172 6.472 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1Cc1cc(C)cc(C)c1 408869989 UUMBINPUAOWQHM-WSDLNYQXSA-N 489.413 6.519 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2cccc(F)c2)c(C)c1 408872331 DEUMGGJBHXGSSP-FYJGNVAPSA-N 463.350 6.342 50 40 JKGB C=CCOc1c(Br)cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1OC 408876128 NHMSLXRBKAGAHE-FOKLQQMPSA-N 483.815 5.059 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)cc2)cc1C 408888488 VYMOQUWUOAZHIK-KGENOOAVSA-N 461.359 6.191 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1F)C(=O)Nc1ccc(Br)cc1 408889837 JRAWXVRCEHBCHS-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB Cc1cc(C)cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1 408892529 CEGYHLOAGJXULW-YDZHTSKRSA-N 489.413 6.807 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl 408924653 NKFHLETZIYZPMQ-LFIBNONCSA-N 471.727 6.412 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)cc2c1 409187245 NXKQCVDKCONNJK-WGARJPEWSA-N 460.490 5.220 50 40 JKGB N#C/C(=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 409223271 FBNGTMXQVPPOBL-PDGQHHTCSA-N 490.441 6.162 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(Br)c1OCc1ccccn1 409322068 VXJDPOGNSOETPE-MOSHPQCFSA-N 471.354 6.649 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 409351908 XMICXWUJSGQJQG-ODLFYWEKSA-N 454.751 6.754 50 40 JKGB Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(OCc3ccccc3C#N)c(Br)c2)c1 409362689 JUFQSSQECNCNSJ-MBTHVWNTSA-N 476.374 5.209 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1ccccc1F 409391646 JBERIHMSPVOCNX-GRSHGNNSSA-N 470.313 6.769 50 40 JKGB O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)[C@@H](Br)CBr 575359103 QUSYOJHRUUVKFB-FQEVSTJZSA-N 459.181 6.498 50 40 JKGB Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(F)cc1Cl 650586 JOWVTPPVOSOXRQ-XMMPIXPASA-N 480.967 6.126 50 40 JKGB Cc1ccc(CSc2nnc(SCC(=O)N/N=C/C(Cl)=C/c3ccccc3)s2)cc1 2280278 POONMPQLDXGLCA-WYWFDCEMSA-N 475.064 5.613 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2F)c(Br)c1)c1ccc([N+](=O)[O-])cc1 2848111 RAGXZLBSPWTPGX-WOJGMQOQSA-N 453.267 6.140 50 40 JKGB CC[C@@H](Oc1ccc2ccccc2c1Br)C(=O)N/N=C/c1ccc2ccccc2c1 3663567 WKLOFJUOJYCTDG-YABPMDJWSA-N 461.359 6.063 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCc2ccc(F)cc2)N1 6015268 FPGSMHBIPBSDPR-QHCPKHFHSA-N 461.587 6.155 50 40 JKGB CCC[C@H]1Nc2c(C(=O)O)ccc([N+](=O)[O-])c2[C@@H]2[C@@H]1C[C@H](Sc1ccccc1[N+](=O)[O-])[C@@H]2Cl 6078132 COGRKLXBUHSTNJ-HYRIIXRYSA-N 491.953 5.667 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@H](c3ccc(F)cc3)Nc3ccc(Cl)cc3[C@@H]2[C@@H]1Cl 9035480 ZFEGTITZQRQEDZ-RNBKDOAQSA-N 489.399 7.426 50 40 JKGB N#C/C(=C\c1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 12273738 GGUBMJZRWTWUJJ-YBFXNURJSA-N 450.479 6.591 50 40 JKGB N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)C(=O)NCCc1c[nH]c2ccccc12 33828086 AWDDWEOSGNESNX-AQTBWJFISA-N 460.331 5.456 50 40 JKGB CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1 33937484 HPIFGKQRASOUIK-DLPRSZHDSA-N 474.988 6.111 50 40 JKGB CO[C@H](C(=O)N/N=C(\C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2)c1ccccc1 58917325 RWMSLTACYJYAJB-JTHZQSMBSA-N 451.570 5.741 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1cccc(Cl)c1 59245238 MTCXDZVRDTZWIS-HZHRSRAPSA-N 482.967 7.017 50 40 JKGB CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 59473213 BZOPXSKCXYXTKV-JVWAILMASA-N 451.979 5.745 50 40 JKGB N#C/C(=C/Nc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2ccc3ccccc3c2)cs1 100933646 KWGTYFLEKPSUEJ-ATVHPVEESA-N 455.892 7.612 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)c1 102609564 YJIBABMFDXMXPH-DEOSSOPVSA-N 492.044 6.926 50 40 JKGB CCOc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(F)cc2)C2=C(O)CCCC2=N1 104117214 CNRBFVAPIFKDSX-DEOSSOPVSA-N 477.561 5.866 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=C3/C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)c3ccccc32)c1 106535043 AUMSQNLOJXZQKF-FMCGGJTJSA-N 485.547 5.485 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1C 107988721 PWKPIIHFVKDEMA-MOSHPQCFSA-N 473.598 5.895 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 408544523 UOELXAZWAQNHSW-OYKKKHCWSA-N 484.508 6.063 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc2ccccc2c1 408550748 JNYFERJKXNAANZ-MWLSYYOVSA-N 490.002 8.688 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Br)c1O[C@H](C)CC 408678395 YIDGYZIFSSSLCO-MOROIOLQSA-N 488.426 5.389 50 40 JKGB CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1 408711598 BBLPMMGAPPXGDQ-GTWSWNCMSA-N 482.580 5.909 50 40 JKGB CCOc1ccc(CC(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 408711711 HCUXECRSFFZHRY-DICXZTSXSA-N 457.357 5.664 50 40 JKGB Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3cccc(C)c3)n2)cc1 408724929 NAGGNFAUORIUMH-RUMWWMSVSA-N 470.576 6.587 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)o1 408739953 GYGIRYUOBFJSEM-MZJWZYIUSA-N 492.919 5.688 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 408745757 OWRCQXIHNPVVNC-PDGQHHTCSA-N 497.776 6.236 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2C)sc2c1CCCC2 408772282 NPLVBEGPQRNODZ-AQTBWJFISA-N 494.016 6.020 50 40 JKGB C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC 408792341 APSUTKBGIPYXOF-PXLXIMEGSA-N 486.955 5.875 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 408813892 DXXHIEAMRNNZJA-XKZIYDEJSA-N 491.385 5.569 50 40 JKGB COc1cc(C)c(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1C(C)C 408849852 ZWFFVPRZBFVHLK-DXJNIWACSA-N 465.597 6.657 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1Cc1cc(C)cc(C)c1 408865562 CWRJDOQUXFWXCN-ZMOGYAJESA-N 473.016 7.109 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2)cc1 408887832 RNUSAMVPGVQZRV-CPNJWEJPSA-N 466.946 5.270 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2Cl)c1 408889414 GKXDQTMHHSOJHK-SRZZPIQSSA-N 465.380 7.043 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OC(=O)c1cccc2ccccc12 408890565 VRTDIXDARPWHRF-OQKWZONESA-N 462.505 6.003 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccc(C(=O)O)cc1 408896556 RXXSXBYJSGTONT-LTGZKZEYSA-N 462.461 5.303 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1 409042308 MGCBJVMNBIKHQI-GZTJUZNOSA-N 487.364 5.615 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1)c1nc2ccccc2[nH]1 409065446 LTDJTZTZNHLFTM-FOWTUZBSSA-N 480.343 5.157 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(Cl)cc1Cl 409071832 SIWAHGIQOATJDZ-CIAFOILYSA-N 495.362 7.282 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccccc1 409075558 WYJCOLGJXBEURU-FOWTUZBSSA-N 473.337 5.307 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(O)cc1 409079952 CMFUZABKKLIAOD-RVDMUPIBSA-N 469.375 5.657 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCc1ccc(Cl)cc1Cl 409148369 YSCVJXAUAJKFCU-OAQYLSRUSA-N 471.344 5.221 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)NC1CCCC1 409192961 GMTCIFUDZLZQDB-SXGWCWSVSA-N 494.216 6.301 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl 409249642 UYNCGMLBUBTZKL-STZFKDTASA-N 452.385 6.057 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 409265013 HLBVANUQSNTATB-ZMFRSBBQSA-N 456.329 5.083 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N1C(=C(C#N)[C@H]2c2ccccc2)NC(=O)c2c1sc1c2CCCC1 708334 LKWPSZVVMVKKHJ-OAQYLSRUSA-N 455.583 5.352 50 40 JKGB Cc1cc(NNC(=O)c2ccc([N+](=O)[O-])cc2)nc(SCc2c(Cl)cccc2Cl)n1 832563 LNRUUHZWEAFVSB-UHFFFAOYSA-N 464.334 5.049 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1cccc(Cl)c1 1915825 LRWLUXLMTQYOBW-LGJNPRDNSA-N 498.029 5.780 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)NC2=C(C(=O)CCC2)[C@H]1c1cccs1 2309874 SGQIXNAZVOCLBT-HXUWFJFHSA-N 455.992 5.202 50 40 JKGB CCOc1cc(/C=C(\C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1F 2866079 QLWYQRIESGTILV-VXLYETTFSA-N 452.869 6.429 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1 3772278 BZKODHLIBZVAHC-UDWIEESQSA-N 474.391 7.159 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1OCC(=O)c1ccccc1 6906915 UMSWUEBXBZUAHQ-BKUYFWCQSA-N 470.525 6.284 50 40 JKGB CCCc1[nH]nc2c1[C@H](c1cn(-c3ccccc3)nc1C13CC4CC(CC(C4)C1)C3)C(C#N)=C(N)O2 8951387 NDTUARPVJFIUPZ-NBFJNIPASA-N 480.616 5.234 50 40 JKGB CCOc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(Br)cc3)CC(=O)N2C1 9693413 HQSBDVIISVDSAU-QGZVFWFLSA-N 470.392 5.067 50 40 JKGB Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3nc(-c4cccs4)cs3)cc2)cc1 12495592 WWJMDZSSBLFFEI-CPNJWEJPSA-N 471.563 5.945 50 40 JKGB CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCCOc2ccc(C)cc2)c(OCC)c1 13881213 SOMPKLQPFSVULE-LDADJPATSA-N 474.351 5.084 50 40 JKGB COC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)o1 20220723 NDYGBGBHXNIBGW-GHRIWEEISA-N 488.952 6.661 50 40 JKGB O=C(NN=C1CCCCCCC1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 20233015 NDKIXACYTRBIJD-UHFFFAOYSA-N 489.641 5.912 50 40 JKGB Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)COc3ccccc3C)c2C)c1 20243712 JHDWJJGIBYUKJY-DHRITJCHSA-N 454.368 5.003 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccccc2)cc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 32109898 OKTVBPCRMWGQPH-MIXAMLLLSA-N 481.508 5.517 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc(Br)c1OC(C)C 33655044 RETXYTHRTNMZHE-VULFUBBASA-N 485.378 5.561 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1Cl 58951591 FUCFEMTZUFFGLC-KBKYJPHKSA-N 468.167 6.643 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1C 59101729 FOVLBAHKGZPCPF-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N=C2CCCC(O)=C21 102858442 DHXCMSNCPMZTRB-VWLOTQADSA-N 473.598 6.035 50 40 JKGB c1ccc([P+](Cc2ccc3ccc4cccc5ccc2c3c45)(c2ccccc2)c2ccccc2)cc1 102919473 JJWKIVJDHBBLHV-UHFFFAOYSA-N 477.567 8.078 50 40 JKGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(Br)cc2)[C@@H]2C[C@@H](c3ccccc3)CC=C12 105973178 LYIKSXMWYJEQPQ-QTGUNEKASA-N 455.359 5.436 50 40 JKGB N#C/C(=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1cc(Cl)ccc1Cl 408751680 BNBOOTQSIPVZOZ-YBEGLDIGSA-N 482.279 5.666 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc2ccccc2c1 408761592 GSJKAGFTLBQHLA-FYJGNVAPSA-N 487.342 6.911 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)c(OCC)c2)cc1 408788108 IJXHYCCVGRYYAV-BUVRLJJBSA-N 495.535 5.258 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)cc1 408789128 ODCPLGFHTFMWKK-QGOAFFKASA-N 478.302 5.482 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(C(=O)O)cc1 408792239 AADHDFAVMIXJGD-OEAKJJBVSA-N 470.525 5.525 50 40 JKGB CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC 408797477 SBBLEMBPWVJTHE-VGOFMYFVSA-N 496.732 5.206 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(Cc2cccc(F)c2)ccc2ccccc12 408879775 FKWUDWBQPCDDNG-PXLXIMEGSA-N 454.932 7.077 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)cc1 408897478 XGPUWYMWIUOGDG-LDADJPATSA-N 463.877 5.381 50 40 JKGB Cc1ccc(Sc2oc(/C=N\NC(=O)Nc3ccc(Cl)cc3)cc2Br)cc1 408910014 INQCMIUAXSVHAO-JJFYIABZSA-N 464.772 6.311 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)c(C)n1-c1ccc(F)cc1 408925835 UECXFMVCEKNPST-GZTJUZNOSA-N 485.300 5.384 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)c(C)c1 408941483 WRKZNBVQISENSM-JAIQZWGSSA-N 451.353 6.735 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)cc1 408955534 UPVLQTVAZXQBEM-KQWNVCNZSA-N 452.558 5.240 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 408981378 ATDHQRXRLWMXAL-LCYFTJDESA-N 452.810 5.271 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)n1C1CCCCC1 409036543 LNHKTFSOVXFVDE-FSGOGVSDSA-N 450.586 6.589 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OCC)c1OCc1ccccc1F 409065176 IAZDCWCSFQPDHS-PXLXIMEGSA-N 454.501 6.737 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2ccccc2Cl)c(Cl)c1)OCO3 409108170 VUEKRVPVDSPXDO-QHCPKHFHSA-N 467.308 5.519 50 40 JKGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 409141069 UAAHNXDVIGGAIF-MJDKSPQASA-N 470.436 5.796 50 40 JKGB Cc1cccc(COc2ccc(Br)cc2/C=N/NC(=O)c2ccc(Cl)cc2)c1 409194219 PFDFPJDVEJLJHV-DHRITJCHSA-N 457.755 5.754 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)c(Cl)c1 409202005 NOIOAFUHTOSYND-YVLHZVERSA-N 456.727 6.482 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1ccc(C#N)cc1 409372297 MLHFMDZKRYNHRP-OCKHKDLRSA-N 484.180 7.271 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1)c1cccc(F)c1 409390460 FOJQTPNKHXUTKG-NHDPSOOVSA-N 492.775 8.038 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccc(Cl)cc1Cl 1453345 ZRHKKIHBYIUCCO-UKTHLTGXSA-N 451.231 6.818 50 40 JKGB CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 1772715 FDYXLWAFTKABOP-WOJGMQOQSA-N 452.377 6.242 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(C)c3)n2-c2ccc(Cl)cc2)cc1 1800637 GBLBZOBOQBOFAZ-JFLMPSFJSA-N 476.005 5.447 50 40 JKGB CC(C)c1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)=C2C#N)cc1 9329448 VNHJYGNUVVKTQN-RUZDIDTESA-N 497.620 6.313 50 40 JKGB O=C(NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1)c1cccc(Cl)c1 11026980 BWGWOYFFZQKEMT-UHFFFAOYSA-N 453.727 5.470 50 40 JKGB CCOc1cc(/C=N\NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 33921986 QVNJRUHQCIVISJ-CSIDKURPSA-N 470.613 6.216 50 40 JKGB Cc1ccc(Sc2ccc(/C=N\NC(=O)c3cc4c(ccc5ccccc54)o3)cc2[N+](=O)[O-])cc1 34772700 LHZHGHKUVRWTLR-NTFVMDSBSA-N 481.533 6.718 50 40 JKGB N#C/C(=C\c1cn(CCCOc2ccccc2Cl)c2ccccc12)C(=O)NCc1cccs1 59087059 XQUXDUWENQEZBH-XDJHFCHBSA-N 476.001 6.049 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1cccc(Cl)c1 59281644 NKSXNIKSVJJQRS-HYARGMPZSA-N 468.940 6.626 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1Cl 59485066 DPIAFCFMVCQMBC-NVMNQCDNSA-N 489.196 7.408 50 40 JKGB CCn1c2ccccc2c2cc(/N=C\c3ccc(N(CCCl)CCCl)cc3C)ccc21 104077666 NKBQPVIFOIQDIT-MIXAMLLLSA-N 452.429 7.157 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 107681267 PSDRSPSUVNHDIM-UCQKPKSFSA-N 494.551 6.550 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)c1cccc([N+](=O)[O-])c1 108892619 BIGTTZGBOWBYOQ-JMIUGGIZSA-N 460.287 5.872 50 40 JKGB CC(C)(CC(=O)NNc1ccccc1)CC(=O)Nc1ccc(OCCC2CCCCC2)cc1 199429811 KBXPCGMEEBUJPN-UHFFFAOYSA-N 451.611 5.924 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3ccc4ccccc4c3)c3ccccc32)c1 408543310 QDRFCNWEYPISOA-OCSSWDANSA-N 461.521 5.393 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1 408569219 MJRRZOGAJALYKU-ZMOGYAJESA-N 491.059 6.092 50 40 JKGB Cc1cccc(-n2c(C)cc(C=NNC(=O)c3cc(-n4c(C)ccc4C)ccc3Cl)c2C)c1 408759132 YGIHMVRQGFXKFP-UHFFFAOYSA-N 458.993 6.227 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc(Br)c1OC 408782156 ICLYQRJVCXWHSU-ATVHPVEESA-N 472.383 5.248 50 40 JKGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(Br)c1 408814364 ZCKFUUKTWLRGTN-IOWBEHGASA-N 478.390 5.502 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 408834049 SSFORIMBVYJQKI-XIEYBQDHSA-N 494.978 7.044 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Cc2ccccc2F)c1 408867833 MDKDWLAZCIPHFI-YBFXNURJSA-N 454.423 5.990 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(Cl)c2)c1 408868300 LTWIYXKIPSLAKJ-CIAFOILYSA-N 479.805 6.856 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1ccc(Cl)cc1Cl 408878705 BLAIHPKWFOPEOY-KBKYJPHKSA-N 468.167 6.643 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1OCc1cccc(Cl)c1 408879742 FEYKTHVKWDBVNT-CIAFOILYSA-N 495.406 7.079 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(Br)cc1 408904136 FIUCYADIHPXPJG-WYMPLXKRSA-N 481.306 5.275 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408941893 KPMMGLLKBILSMM-MFOYZWKCSA-N 455.739 6.272 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)c(Cl)c1 409051438 AAVBCHZNABSZST-DHRITJCHSA-N 457.755 5.754 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccc(F)cc1 409057000 OGGZIDCWTSOPFS-LZYBPNLTSA-N 459.279 6.396 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1 409225480 QCNQSEFZKWWEGR-LDADJPATSA-N 480.351 5.865 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)c(C)c1 409254852 JBJGCMFGYWQBJM-CIAFOILYSA-N 473.960 5.828 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc(I)cc1 409369805 YPSQDBHULSTRSZ-UNOMPAQXSA-N 471.725 6.588 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1)c1cccc(F)c1 409393671 RYGBKWNNSNOBLW-OCKHKDLRSA-N 452.279 5.930 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3sc(C)c(C)c3C(=O)OCC)o2)cc1 1454832 YCPPRWCQTICVEH-CPNJWEJPSA-N 492.553 5.524 50 40 JKGB CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)cc1 2205844 FDCPMFOEDVWYNZ-SILNSSARSA-N 464.566 5.424 50 40 JKGB O=C(N/N=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1cc(-c2ccco2)nc2ccccc12 3298688 KTLAIKVOXQRSFW-RWPZCVJISA-N 496.508 5.108 50 40 JKGB C[C@H]1c2c(-c3ccccc3)oc(-c3ccccc3)c2[C@H](C)[C@@H](Br)[C@H]1Br 5160040 BGSVBYYZBVGWBJ-WZBLMQSHSA-N 460.209 7.361 50 40 JKGB Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)c1 9291506 MTYVBPQGYSAZHE-LTGZKZEYSA-N 485.565 5.257 50 40 JKGB CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCCOc2ccccc2C)c(OCC)c1 13881217 QFTVENFPSQMQOJ-LDADJPATSA-N 474.351 5.084 50 40 JKGB COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)cc1 15911345 GYYBPDUQLCDYOU-XSFVSMFZSA-N 494.519 5.913 50 40 JKGB COc1cccc(C(=O)N/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)c1 28218085 UVDVLGBURKWIIP-VULFUBBASA-N 483.362 5.118 50 40 JKGB CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(I)c1O 34864505 GBOCOJISFWHIKV-KPKJPENVSA-N 480.352 5.662 50 40 JKGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 58913534 SVPWWVJBQOAJDI-KBKYJPHKSA-N 493.778 5.152 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 59117318 AWAZTOGXNAHKNV-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB c1ccc(P(C[C@@H]2CCCC[C@H]2CP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 100058957 UZHMFQJEUXFZSS-NSOVKSMOSA-N 480.572 7.059 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 105062017 SBOJZLGAWCFKBE-MUFRIFMGSA-N 463.364 6.418 50 40 JKGB CC1(C)[C@@H]2CC[C@@]1(C)/C(=N\NC(=O)c1cc3n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N3)C2 105264112 FBMLHCJNVNTSAR-SLGRANTJSA-N 477.506 5.615 50 40 JKGB CC(C)N1c2ccc(/C=N\NC(=O)COc3cccc(Br)c3)cc2[C@@H](C)CC1(C)C 223547344 GHUHGUPJXATVCH-VHQYDUIRSA-N 472.427 5.479 50 40 JKGB Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)o1 408570034 RORSAZMIDBOBRH-DHRITJCHSA-N 473.019 5.916 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)c3ccc(Cl)cc3Cl)cc2Cl)cc1 408580303 OCEKLWKUWOZQAM-CAOOACKPSA-N 463.191 8.252 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)Sc1nc2ccccc2[nH]1 408598623 GHXAGGIAZGXQIO-LDADJPATSA-N 462.372 6.561 50 40 JKGB CCOc1cc(/C=N/NC(=O)C(=O)Nc2c(C)cccc2C)cc(Cl)c1OCc1ccccc1 408609602 KKDLEQUVIKTDQV-RWPZCVJISA-N 479.964 5.023 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 408759151 YTDJHMXASIFMDW-LDADJPATSA-N 451.309 6.067 50 40 JKGB Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2Br)c1 408789907 SNPJFRISGBDIBP-LPYMAVHISA-N 475.386 6.499 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(C)n1-c1ccccc1 408846146 XQWWCZODNXUDFH-IPPBACCNSA-N 497.546 6.006 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(C)c1OCc1ccc(Cl)cc1 408851465 ZRKLDKMBKWHBMS-DEDYPNTBSA-N 495.804 6.844 50 40 JKGB COC(=O)c1ccccc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1C 408854158 YRVQHHYPPHEHFM-ZMFRSBBQSA-N 494.345 5.153 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OCc2ccc(Cl)cc2)c1 408873456 UHUBTCRIXXMTMA-WOJGMQOQSA-N 486.877 6.492 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cc1cccc(F)c1 408875186 GXBHNXPLOIUPLJ-YBFXNURJSA-N 454.423 5.990 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408882411 OZFJZQDMEOMYNC-WOJGMQOQSA-N 471.771 7.080 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 408892077 ASNTYTGXSAHWRQ-BHGWPJFGSA-N 465.178 5.927 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2cccc(F)c2)ccc2ccccc12 408892523 CDPUJYCFYLPICC-HAVVHWLPSA-N 450.513 6.666 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1)C(=O)NC1CCCCC1 408981474 HTUGTMKXYFQCDY-MDWZMJQESA-N 478.730 5.627 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OC)c1OCc1ccc(C)cc1 409069252 VJJQGXBLSGHRMI-PCLIKHOPSA-N 452.554 6.165 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1cccc2ccccc12 409148735 RAMIVNSWQAUYNW-MHZLTWQESA-N 450.494 5.351 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(C(=O)OC)c(Cl)c4)c3C)cc2c1 409189147 IZNMOHCFIITGMB-MUXKCCDJSA-N 493.947 5.443 50 40 JKGB COc1ccc(Oc2ccc(-n3c(C)cc(/C=N/NC(=O)Cc4cccs4)c3C)cc2)cc1 409193190 DZPBOEQQNDKKRG-WPWMEQJKSA-N 459.571 5.649 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1cccc(C(=O)O)c1 409235727 DHYBVNGSLLKAPH-MTEVNVADSA-N 490.943 5.410 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc2ccccc2c1 409246966 AAQJAQJFZZVZCF-NMRQPTJQSA-N 476.576 6.602 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccn3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 1774345 KXAWPKQXLIAGSD-STBIYBPSSA-N 484.629 5.178 50 40 JKGB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cccc2ccccc12)c1ccc(Cl)cc1 3181077 BXMIDZRZQZDWMN-ICLYNSGKSA-N 494.982 5.466 50 40 JKGB O=C(Oc1ccc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1)c1ccccc1 3659601 DTCOOFSXJIRQMM-UGFFDMHVSA-N 460.533 5.362 50 40 JKGB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)COC(=O)CBr)[C@@]4(C)CC[C@@H]32)C1 8382404 ZSBQFTNZBNMSDA-ROKGUJHPSA-N 495.454 5.004 50 40 JKGB biogenic,in-vitro Cc1n[nH]c(N2C(N)=C(C#N)[C@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)c1-c1ccc(Cl)cc1 9290389 RKDUAKFHWGPWJY-DEOSSOPVSA-N 484.003 5.979 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1c(Cl)cccc1Cl 9292304 VLEPRMHHQJKCGM-OAQYLSRUSA-N 489.362 6.181 50 40 JKGB Cc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(OCc4ccccc4)cc3)CC(=O)N2C1 12251069 QJGUMYTUDAPICA-DEOSSOPVSA-N 467.594 5.794 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NCc2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1 14360292 XZRKITRBNLIIFD-XDHOZWIPSA-N 468.782 5.733 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1Br 20760700 FUDLXCGWEQUXTE-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB Cc1ccc(-c2nc(/C(C#N)=C/c3ccc(Cl)cc3Cl)sc2NC(=O)c2ccco2)cc1 26688397 XSUDYZSNZPURKN-GZTJUZNOSA-N 480.376 7.335 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)c(C)n1-c1cc(Cl)ccc1Cl 28215998 GIQCUUBWQONOON-KBKYJPHKSA-N 480.848 6.438 50 40 JKGB O=C(CCCCC(=O)N/N=C\c1ccc(Cl)cc1Cl)N/N=C\c1ccc(Cl)cc1Cl 31629095 RCIRGEVFVFPDPP-RSKRUZOQSA-N 488.202 5.461 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Br)c1OC(C)=O 59224761 QGARCLPINQBNQS-LICLKQGHSA-N 465.303 5.082 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCC(=O)NC(C)(C)C)N=C3CC(C)(C)CC(O)=C32)cc1 102605126 PYVKWVUQFMKTRJ-NRFANRHFSA-N 453.608 5.249 50 40 JKGB CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)CSc2nc3ccccc3s2)cc1OC 110220899 AGTUUIUUJVWGPY-DOQYOOLYSA-N 464.012 5.378 50 40 JKGB CCOc1ccc(Br)cc1C=NNC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 245241432 DMJCEOFGYNPKOF-UHFFFAOYSA-N 495.417 5.703 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1 408568659 VWDBANADLMNFSQ-JFLMPSFJSA-N 481.390 5.346 50 40 JKGB CC(C)c1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 408609555 KERSRRGLQWHTDU-FJEPWZHXSA-N 498.410 5.462 50 40 JKGB C/C(=N\NC(=O)[C@H](C)Sc1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 408720225 WFJPESZEOZPGJM-DCMOEJRUSA-N 451.979 5.613 50 40 JKGB Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)nn2-c2ccc(C)cc2)cc1 408725897 QTSSDAJKJIVUSB-RWPZCVJISA-N 463.368 6.227 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408792132 IKVVORSULNQHOV-YBFXNURJSA-N 477.904 5.772 50 40 JKGB N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccccc1Cl 408810146 SZCXNOPZRFRIBK-HKOYGPOVSA-N 488.974 7.771 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(Cl)c2)c(Br)c1 408812866 MMNJIUZTFOIWLP-YBFXNURJSA-N 481.777 6.536 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)c(OCc2ccccc2)c1 408823511 FRFVZPAYWVQQJD-YBFXNURJSA-N 478.932 5.490 50 40 JKGB CSc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 408865208 BWOXXPXIGUOXKE-ZTKZIYFRSA-N 457.643 5.627 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1OCc1cccc(Cl)c1 408888085 WPTBSDQOFXWLRK-CPNJWEJPSA-N 477.904 5.690 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)OCO3 409107763 QIOKNBGLZSLSIL-QFIPXVFZSA-N 485.298 5.658 50 40 JKGB Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Cl)c1 409259268 YIJBWQJYOHLJNL-RGVLZGJSSA-N 494.378 5.543 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12 409363471 LYYAOPCHOODRNF-UCQKPKSFSA-N 470.366 7.254 50 40 JKGB C/C(=N/NC(=O)c1csc(-n2nc(-c3ccccc3)cc2C(F)(F)F)n1)c1ccc(Cl)cc1 8770083 PQNPBZZGZOYYQW-QDTIIGTASA-N 489.910 5.822 50 40 JKGB C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1cc(Br)cc(Br)c1O 8780820 KOYJHQYQYZMVBP-LITAXMHPSA-N 491.183 5.021 50 40 JKGB CC(C)Oc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(OCc5ccccc5)cc4)c32)cc1 9292709 FHWHFMNOMYSJPS-VWLOTQADSA-N 478.552 5.661 50 40 JKGB N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 13388085 QOLUPOLFMGARKZ-LFIBNONCSA-N 453.376 5.952 50 40 JKGB Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)c(C)c1 13659319 KPGDDXKZEKZMAV-LGMDPLHJSA-N 493.639 5.661 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 14152046 YBWXHCDFGZPZGS-DEDYPNTBSA-N 483.549 5.321 50 40 JKGB N#C/C(=C\c1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1nc2ccccc2[nH]1 15019368 RGGCHEBZNILCSG-GZTJUZNOSA-N 491.334 5.729 50 40 JKGB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1 20347780 GJOGIOADACHFRR-AREMUKBSSA-N 498.608 5.603 50 40 JKGB N#C/C(=C\c1cccc(Br)c1)c1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 27018446 FGWRYEQKDKVJHI-XSFVSMFZSA-N 486.394 6.889 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1 38650315 GPSGMAIIAOMDRD-JOCHJYFZSA-N 467.308 5.439 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCc1ccccc1F 59536489 XVFDUBATSWWWDW-VULFUBBASA-N 471.326 5.330 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cccc(C#N)c1 408565877 BZMZDGSZXBQBNB-UWVJOHFNSA-N 484.180 7.271 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408585401 CWCPJOIRLFFEJA-ZDLGFXPLSA-N 455.297 6.553 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)N[C@@H](C)c1ccccc1 408602288 BMFKIQIWNVPCPD-SGSZHJQISA-N 494.595 5.899 50 40 JKGB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@H]3[C@H]4C(=O)O[C@@H]5[C@@H](Br)[C@@H]3C[C@@H]54)cc2)c1 408678136 BIMLEJZZEOIKPZ-YQLZSBIMSA-N 484.390 5.420 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3F)c2C)cc1 408746193 YCDRGVKORXUTJH-PDGQHHTCSA-N 482.353 5.940 50 40 JKGB N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 408779435 DXYNUQPYFUJRHO-XFXZXTDPSA-N 455.326 6.160 50 40 JKGB CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c3ccccc23)cc1 408781526 BFXMWHKDBVSQKN-QQTULTPQSA-N 475.592 6.811 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc2ccccc2c1 408815329 JCMAUDIQFLYUFP-YUMHPJSZSA-N 492.575 6.049 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc(Cl)c1 408819671 RAHJHIPIVRTUOE-LDADJPATSA-N 453.325 6.127 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1OC(C)C 408822019 AZECYGICWSAGQP-KGENOOAVSA-N 476.960 6.260 50 40 JKGB COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1 408823616 OARVOJAAQATVIO-LICLKQGHSA-N 487.770 6.780 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2Br)cc1 408868078 LHJORYHGAMGELO-CJLVFECKSA-N 489.369 5.762 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(OCc2cc(C)cc(C)c2)c1 408886187 FACVDAQPRMRNMT-FYJGNVAPSA-N 491.385 6.199 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OCc1c(Cl)cccc1Cl 408890097 NSEIVPJYYNGCCP-WKULSOCRSA-N 479.363 6.498 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1OCc1cccc(F)c1 408896111 MWUYJZXROPEEDM-CIAFOILYSA-N 478.951 6.565 50 40 JKGB CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)ccc1OCc1ccc(Cl)cc1 408907346 MGCHSSWXSMFBJU-UXHLAJHPSA-N 495.019 6.108 50 40 JKGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1C 408938997 MQLPOGJLGSNOKY-UXHLAJHPSA-N 480.568 5.070 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2cccc3ccccc23)cc1Cl 408991970 RVDOYCXGLAKUCO-HAHDFKILSA-N 452.941 6.926 50 40 JKGB CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(I)c1 409020560 QNPDLPTXWJECCP-BUVRLJJBSA-N 472.326 5.387 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1OCc1cccc(Cl)c1 409070732 GOPFWWHDJMTQLD-FYJGNVAPSA-N 474.944 5.907 50 40 JKGB Cc1ccccc1CN(c1ccc(C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1)S(C)(=O)=O 409113718 DUZFSFKKYZZUNF-MTDXEUNCSA-N 477.630 5.023 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409265990 IZDIBKHGUHCNJQ-HYARGMPZSA-N 469.541 5.184 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1OC 409320502 BMUGAKBZHCJIJN-NTFVMDSBSA-N 480.948 5.265 50 40 JKGB C[C@H](CCCO)[C@H]1CC[C@H]2C3=CC=C4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 1570001724 UCVRDHODXFXHIG-LMGLLEPCSA-N 472.830 8.285 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(Cl)c3)n2-c2ccc(Cl)cc2)cc1 1789496 MREFWDCCKJZTHH-MZJWZYIUSA-N 496.423 5.792 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)c1C 2212971 YSMPWSBYHXXMKD-VECHRTTRSA-N 453.567 5.368 50 40 JKGB O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1c2ccccc2cc2ccccc12 3086848 OAPMWYNUAWSSAR-STBIYBPSSA-N 467.366 6.602 50 40 JKGB COc1cccc(CSC2=C(C#N)[C@H](c3cccnc3)C(C(=O)Nc3ccccc3)=C(C)N2)c1 9144824 TWXHOJBINVWDBS-VWLOTQADSA-N 468.582 5.358 50 40 JKGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2cccc(OCc3ccccc3Cl)c2)n[nH]1 9360107 XWOVYUFPFMDOOH-OKCVXOCRSA-N 496.954 5.932 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1OC(=O)c1ccccc1 15277303 MRCKGJSGOSWWTQ-RQZCQDPDSA-N 467.308 5.767 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1COc1ccccc1Cl 35316343 FXFVRFLBCXXCBW-QHCPKHFHSA-N 484.943 5.536 50 40 JKGB C/C(=N/NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccc(Cl)c(Cl)c1 96399192 MKEKUTRRWVNSPQ-DICXZTSXSA-N 459.402 5.847 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(SCc3ccccc3Cl)NC3=C2C(=O)CCC3)cc(OC)c1OC 100863103 BWGWFFYKNKWXKT-HSZRJFAPSA-N 497.016 5.728 50 40 JKGB CC(C)C(/C=C\c1ccc(Cl)cc1)=N\NC(=O)N/N=C(/C=C\c1ccc(Cl)cc1)C(C)C 104304530 OGFXKULYNBRQQS-IWOCFEQGSA-N 471.432 7.043 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Br)c1OCc1ccc(Cl)cc1 408582126 LZWADOQVHQWHTM-UDWIEESQSA-N 498.804 7.153 50 40 JKGB O=C(N/N=C/c1ccc(F)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 408744114 WVHZDBYIATUHDT-RUMWWMSVSA-N 459.524 6.714 50 40 JKGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Br 408752350 DRLUFTYCQVEFBG-QPEQYQDCSA-N 496.586 5.975 50 40 JKGB N#C/C(=C\c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc2ccccc2c1 408762211 JRPAKZUPGIWAIK-KGENOOAVSA-N 499.504 5.061 50 40 JKGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC 408792512 KJXHPFNSJBPRBX-WOJGMQOQSA-N 453.336 5.022 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1OCc1ccccc1C#N 408796417 OVLLCASDJLQQQU-OEAKJJBVSA-N 465.509 5.126 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC#N)c(Br)c2)cc1C 408796575 YOMPXYBIMBUICA-OVCLIPMQSA-N 489.167 5.277 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(C)c(C)c1 408814622 RTAAFUKQGWSMEH-ZMOGYAJESA-N 489.015 7.097 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1 408814945 ZVWFQJAPBOIXBO-ZFJBLLOBSA-N 491.385 5.821 50 40 JKGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1 408840462 BJVFYKAHIUXJEC-JFLMPSFJSA-N 476.005 6.037 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OC 408857480 OMOFGSFJQCXAOV-YVNNLAQVSA-N 451.704 5.020 50 40 JKGB Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2Br)c1 408984541 IVZDLEVKJOUNOY-JAIQZWGSSA-N 495.804 6.844 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1C#N 408984575 RYHSQBKPGIJUFQ-OYKKKHCWSA-N 467.956 6.373 50 40 JKGB CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)Nc4ccc(C)cc4)o3)sc2c1 408987433 BAEQSIJXORGYJD-FOWTUZBSSA-N 461.568 6.293 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Oc1nc(Cl)ncc1F 409007556 PDHMSWZMHBEEEB-CXUHLZMHSA-N 452.873 5.233 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OCC)c1OCc1cccc(F)c1 409070292 FHSOTKNDOVADLT-HYARGMPZSA-N 490.962 6.731 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 409253170 DYBNQZJMOMZQKT-WWTGGXICSA-N 482.367 5.076 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2)c1C 409264979 HIFSLPKBTFMBMQ-MOSHPQCFSA-N 459.933 5.520 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 409394188 WXFRJQMFUJZVFS-QRVIBDJDSA-N 491.393 8.183 50 40 JKGB Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)Nc3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)cc1 1888123 PWTVLFKMSBQHQK-FYAMCCBRSA-N 488.012 6.022 50 40 JKGB COc1cc(/C=N/NC(=O)Cn2cnc3ccccc32)ccc1OCc1ccc(Cl)c(Cl)c1 8781267 HSPKJEBUMBUIIQ-KVSWJAHQSA-N 483.355 5.081 50 40 JKGB COc1ccc(-c2nnc(SCC(=O)N/N=C(/C)c3ccc(F)cc3)n2-c2ccc(C)cc2)cc1 9008358 KVYSBPJNOCRPKM-VEILYXNESA-N 489.576 5.023 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc(OC)c1OC(C)=O 9013954 FMYNTSUNURULDQ-YBFXNURJSA-N 456.523 5.970 50 40 JKGB O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)N/N=C/c1ccc(F)cc1 9057359 UIGPVUUGWYDOLA-RREIPUBJSA-N 460.572 6.335 50 40 JKGB Cc1sc(/C(C#N)=C/c2ccc(Br)cc2)nc1-c1ccc(Br)cc1 9058926 YPFHXVWOOQCLEP-XNTDXEJSSA-N 460.194 6.708 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc2ccccc2c1 9907441 SNSLXNSJKOTWSJ-YUMHPJSZSA-N 462.549 6.041 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1cccc(Cl)c1)c1ccc(I)cc1 10476083 SZZMPSZSIFCDIU-ZMOGYAJESA-N 490.728 5.288 50 40 JKGB CC1=NN(c2ccccc2)C(=O)/C1=C1\SS/C(=C2/C(=O)N(c3ccccc3)N=C2C)S1 18063321 CQKSKRWFRHZLTN-QGFZOGOGSA-N 464.597 5.383 50 40 JKGB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NN=C2CCCCC2)cc1 20059502 QDOPGFVFCQLMMY-UHFFFAOYSA-N 491.613 5.141 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 28216746 WWPSOKXWMRIGEQ-ROCQKPIASA-N 460.430 6.173 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc2ccccc2c1 33705193 BPDXWEKQHGMQHZ-PDGQHHTCSA-N 466.787 8.064 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 33763781 HESIYNSHILICDA-WJDWOHSUSA-N 484.314 5.696 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(F)cc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 35153381 OSTUVNCNYNCQOY-UQQQWYQISA-N 470.544 6.104 50 40 JKGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CSc4ccccc4)cc3)c2C)c1 58927379 KWPGGHWXUYOTEJ-UXHLAJHPSA-N 467.638 6.767 50 40 JKGB C/C(=N\NC(=O)CSCc1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 59473505 YSCNAOGWXCRAGV-MTDXEUNCSA-N 466.006 5.674 50 40 JKGB O=C(N/N=C\c1ccc(Br)cc1)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2 59503583 LGFMRGMAXXSCDF-ROTLSHHCSA-N 499.206 5.496 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1ccc(Cl)c(Cl)c1 59513180 QFADUWPOERLRSU-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(O)c(OC)c2)C2=C(O)CCCC2=N1 102716780 XHGRSUJZNAODJS-VWLOTQADSA-N 489.597 5.604 50 40 JKGB O=C(OCCCCCl)[C@@H]1CC[C@H]2[C@@H](C1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 221836723 QNGXUOGPVMCDDM-OQMGSFEQSA-N 489.481 6.427 50 40 JKGB Cc1ccc(Sc2ccc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)cc2)cc1 408570012 RMTFZRJDLCQBCZ-WGOQTCKBSA-N 480.680 6.154 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccc(F)cc1 408676997 OHAJTJPDSJTHJX-OCSSWDANSA-N 495.982 5.821 50 40 JKGB CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC 408727310 ZUHYUGKDWOZRCM-WJDWOHSUSA-N 459.340 5.191 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)C(=O)Nc1ccc(Cl)cc1 408747049 YKWJBMUHZWWQBE-LCYFTJDESA-N 462.130 6.562 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1 408762839 LKEKQZKVJVZEFI-RVDMUPIBSA-N 465.849 5.231 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccccc1C#N)C(=O)Nc1cccc(Br)c1 408763160 HXIWSXDBOSUUPR-NDENLUEZSA-N 458.315 5.445 50 40 JKGB Cc1cc(Cl)ccc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(C)(=O)=O 408789964 OZWHXIPKXXNYBB-UHFFFAOYSA-N 456.052 5.191 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1cccc(F)c1 408794819 KBDUHSAEMOTHND-VCHYOVAHSA-N 466.896 5.708 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 408799649 ZUQYSEZYRMZVCZ-YBFXNURJSA-N 494.906 5.399 50 40 JKGB COc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1Br 408847103 PEQNAPOBOKYOKS-QRQIAZFYSA-N 488.385 5.988 50 40 JKGB O=C(N/N=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1)c1cc2ccccc2o1 408851997 PCODTFOSYVEVGX-BCHBDCPOSA-N 483.307 5.811 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccccc3s2)o1 408863776 PZXLHHWVMKIGQL-JLHYYAGUSA-N 467.959 6.248 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Cl)c1 409043025 PEJDSCLWWPTKAJ-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OC)c1OCc1cccc(Cl)c1 409072747 DFACSZWCKYFAHQ-FYJGNVAPSA-N 456.929 6.861 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)NC1CCCC1 409190556 ZKXDQMMWQDMYSH-XFXZXTDPSA-N 451.773 5.812 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)c1ccccc1 409221047 JXRQEYFISITYSX-SLOMDMAXSA-N 466.516 5.203 50 40 JKGB Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)c1 409273597 ZGROPRCQAFRRMB-MOSHPQCFSA-N 459.933 5.520 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1c[nH]c2ccccc12 1774685 NKDNAFOZMBOAOO-RWPZCVJISA-N 493.036 5.827 50 40 JKGB O=C(NNC(=S)Nc1ccc(Oc2ccccc2)cc1)c1sc2ccccc2c1Cl 3257170 PRFJDNCZVKGZDM-UHFFFAOYSA-N 453.976 5.978 50 40 JKGB Cc1cc(Br)ccc1N/C=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1 9445811 XDKRPGIUNFHNAO-FMIVXFBMSA-N 465.203 7.164 50 40 JKGB COc1cc([C@@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)ccc1OCc1ccccc1 9693534 PDEVAVWXFDETNC-DEOSSOPVSA-N 497.620 5.802 50 40 JKGB N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@@H]1c1cccc(OCc2ccccc2)c1 12251022 AZUHNCWEKBMEJB-XMMPIXPASA-N 488.012 6.138 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)ccc1OCc1ccccc1 13648542 IDIJPAMEFQVXPZ-WGOQTCKBSA-N 480.633 7.660 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1OCc1ccc([N+](=O)[O-])cc1 14009754 QSMAKHVOKHQCNO-STZFKDTASA-N 457.486 5.345 50 40 JKGB N#C/C(=C/c1ccc2c(c1)OCO2)c1nc(-c2cc3cc(Cl)cc(Cl)c3oc2=O)cs1 16430972 QVKBTTAIMIBSFR-DXNYSGJVSA-N 469.305 6.016 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)COc3ccccc3)c2C)cc1C 20243708 TZCGUCKNPPHREW-DHRITJCHSA-N 454.368 5.003 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1C 27019892 GLKWLPOSFHKTQC-MOHJPFBDSA-N 474.564 6.267 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CSc4ccccc4)cc3)c2C)c1 58927363 NCLBMVXCZHVPCY-RDRPBHBLSA-N 453.611 6.459 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 59296989 QUZXWSFAWKZMEA-FOWTUZBSSA-N 467.308 5.767 50 40 JKGB O=C(N/N=C/c1ccc2cccc(OCc3ccccc3)c2n1)c1ccc(Br)cc1 101832843 PLKZSXWYWHHJJF-CVKSISIWSA-N 460.331 5.340 50 40 JKGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C(O)CCCC2=N1 102540750 CWYZXVDXVITKLA-RUZDIDTESA-N 487.581 5.619 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408526604 CQKAMJCZAFDKEZ-YPXUMCKCSA-N 456.251 5.834 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(C(C)C)cc1 408553055 WKZLNEHRKSQJSO-HYARGMPZSA-N 468.626 6.575 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCC(=O)Nc1cccc(C)c1 408581120 UUZCWBLPNBPDGE-DEDYPNTBSA-N 477.358 5.848 50 40 JKGB Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 408608138 GNTGSZWUTGXRCM-KKMKTNMSSA-N 490.774 5.623 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2C)n1 408727351 VZTDKKVBYIFWHK-UXHLAJHPSA-N 489.535 5.981 50 40 JKGB O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1ccccc1F 408741119 NYUQLRBJFNTTJQ-RUMWWMSVSA-N 459.524 6.714 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccccc1C#N 408743974 IWJRBNUVALXABY-NHDPSOOVSA-N 457.917 5.653 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 408746001 QCSLRNYLEBXFTJ-WQRHYEAKSA-N 463.877 5.381 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(F)c(Cl)c1 408756938 VJWWDPDCQYJLRU-SXGWCWSVSA-N 472.745 6.195 50 40 JKGB CC(=O)Oc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br 408763762 UQWFKXXPPJNTEL-SDQBBNPISA-N 498.558 5.336 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(Cl)c2)cc1 408787568 BXGYJRVDRGJKOF-MFKUBSTISA-N 466.968 7.180 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1 408794176 HUVYJGRDYZYLAB-QGOAFFKASA-N 451.295 5.713 50 40 JKGB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Br)cc1 408797923 HHHKUWRHCMDSTJ-WVRBRBFTSA-N 453.380 5.630 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 408813679 UXGTVSIVRWTHHP-MHWRWJLKSA-N 492.189 7.425 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Cl)c1OCC 408821903 AHDSXONWNGPUNF-VGOFMYFVSA-N 465.333 5.354 50 40 JKGB N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccc(O)cc1 408869368 CJYNMDYIVYVMBE-WOJGMQOQSA-N 451.295 5.430 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 408891786 VJLBZUBMYGZAFE-GZTJUZNOSA-N 477.860 5.022 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1C 408891793 VKVKKBZIUUAEQG-DHRITJCHSA-N 498.333 5.017 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 408899168 ZPKKPWCQLLAGIU-KIBLKLHPSA-N 455.172 6.472 50 40 JKGB Cc1cc(/C=N\NC(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408967104 PFTJVEJGZCXNFV-YSMPRRRNSA-N 467.411 6.310 50 40 JKGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 408982489 HJAGPGHQIUXMFC-NVNXTCNLSA-N 461.743 5.530 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCC#N 408986322 BUPYHWTWVHJLRZ-BOPFTXTBSA-N 470.754 5.587 50 40 JKGB C=CCn1c(C)c(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)c2ccccc21 409001554 JBDJNLLGPWOZJU-PLUOQXPISA-N 464.569 5.147 50 40 JKGB O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 409127602 OGOZLIYSVRMHOM-KKMKTNMSSA-N 493.843 6.609 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1c(OCc2ccccc2F)ccc2ccccc12 409180003 SVHPVLWBVIPNBU-WKULSOCRSA-N 485.540 5.942 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)[C@H](O)c1ccccc1 409271127 JYONSIHPWXMVIM-NJTCQAJUSA-N 452.341 5.180 50 40 JKGB CCOc1c(I)cc(/C=C(/C#N)c2cccc3ccccc23)cc1OC 409301353 FBBRULUZYJEQPS-BOPFTXTBSA-N 455.295 5.916 50 40 JKGB CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCCCl)CC[C@]4(C)[C@@H]3CC[C@]12C 504248807 GDOXPOQXTZCSGF-MHQDZQGGSA-N 491.200 9.247 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1cc(Cl)ccc1Cl 1107272 PIWGGKHHSGIYOL-QHCPKHFHSA-N 499.394 6.032 50 40 JKGB Cc1sc2ncn(CC(=O)N/N=C/c3cccc(Oc4ccccc4)c3)c(=O)c2c1-c1ccccc1 1783923 GIXGEEXYIGJIDS-OKCVXOCRSA-N 494.576 5.376 50 40 JKGB O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1 3084807 YWRINZUYKXHKBY-VULFUBBASA-N 467.750 6.209 50 40 JKGB COc1cc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c(C)cc1[N+](=O)[O-] 8927373 HGTCTAMWWAFGPO-GXDHUFHOSA-N 471.336 5.774 50 40 JKGB CCOC(=O)C1=C(C)NC(SCC(=O)C23CC4CC(CC(C4)C2)C3)=C(C#N)[C@H]1c1cccs1 19597233 NBOCOJRYFQUFAW-UCWRNDPWSA-N 482.671 5.526 50 40 JKGB C/C(=N\NC(=O)Cc1c(F)cccc1Cl)c1ccc(NC(=O)c2ccc(Br)o2)cc1 20158261 OVADVSHNFLHSSI-RPPGKUMJSA-N 492.732 5.170 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)c(C)n1-c1ccc(Br)cc1 28216009 CWTNUHZBZRCGAC-BRJLIKDPSA-N 490.854 5.894 50 40 JKGB CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1OC 33733993 YOATWWRCSGNMHR-UBXTYJAUSA-N 453.970 5.697 50 40 JKGB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 59336324 RZMLZJWQHQEPPN-ZDLGFXPLSA-N 468.340 5.953 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 59336446 ZNMPDJPVPYDISA-ZSOIEALJSA-N 497.762 5.533 50 40 JKGB O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccc(O)cc1 59427536 HSGOYBMWMCBQPE-UZWMFBFFSA-N 491.978 6.934 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2cc(/N=N/c3cccc4ccccc34)ccc2O)cc1OC 101828404 QXTSVCVCVVSTAI-UMJYARSTSA-N 468.513 5.671 50 40 JKGB CC(C)CCC[C@H](C)[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 123335441 DHZKAQAKUFROMZ-OIBCUUEASA-N 465.560 8.050 50 40 JKGB CC(C)[Si](OC1=CCC[C@@H]2NC(=O)[C@H](Cc3ccc([N+](=O)[O-])cc3)[C@]12C)(C(C)C)C(C)C 263612398 YDMXKIHCINZRAJ-HWBMXIPRSA-N 458.675 6.128 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1Cl)c1nc2ccc(F)cc2[nH]1 408568286 ITDPSDUKNKDYID-SXGWCWSVSA-N 482.740 6.761 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408581231 VGJQKDSTLSOHLR-CAOOACKPSA-N 488.754 6.997 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)c1ccc(Br)cc1 408581628 XZYUHFWDSKPNEO-XDHOZWIPSA-N 469.176 6.855 50 40 JKGB O=C(N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc(N2CCCC2)cc1 408677398 QFLPCPPFSJEYIR-ZCTHSVRISA-N 467.544 5.922 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 408743923 CMDPIEMDXZLLAT-VBKFSLOCSA-N 483.402 5.960 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408788375 JTNGCTBFEXFRQQ-LICLKQGHSA-N 498.322 6.035 50 40 JKGB COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 408796222 DVKYIYMCRHWMOS-KGENOOAVSA-N 479.374 5.241 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2cccc(C)c2)c2ccccc12 408805613 HGZGZRRJHHDSIC-KGENOOAVSA-N 469.972 6.514 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2ccc(OC)cc2)c1Cl 408814908 IAKKSVMEQBGGAF-BRJLIKDPSA-N 476.316 5.279 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OC(=O)c2cccc3ccccc23)c1 408885685 DVBCJKJBNBZMGG-KGENOOAVSA-N 477.476 5.821 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Cl)c1OCc1ccccc1 408887020 LHNDLGWRQMHOGJ-RQZCQDPDSA-N 487.770 6.780 50 40 JKGB Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2C)ccc1Br 408984930 UIRLXWCAZSIYCS-UNOMPAQXSA-N 482.809 6.673 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OCC 409034476 HPVNCEFJMMYCEA-RHANQZHGSA-N 473.960 6.117 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(OC)c1OCc1ccc(F)cc1 409070998 PRIWUMQRZTZEEL-BUVRLJJBSA-N 456.517 5.365 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1)c1nc2ccccc2[nH]1 409085345 ZGUXFBFKLNHJGL-XNTDXEJSSA-N 470.337 5.702 50 40 JKGB C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OCC)c1OCc1ccccc1Cl 409245468 UCWGSHXEDOZVML-LQNQUEJISA-N 480.967 5.878 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(Br)c1OCc1cccc(F)c1 409320901 DIAVETHHMAXTQD-MTJSOVHGSA-N 488.356 7.393 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)cc2)cc1OC 409324306 SZARFNLRYHMSIH-FSGOGVSDSA-N 468.553 5.980 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)ccc1OC 409325361 YCULVGRQXFEKLE-YSMPRRRNSA-N 483.362 5.199 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 409362335 JAOCVFDNXREOGR-CCVNUDIWSA-N 450.369 5.998 50 40 JKGB Cc1oc(-n2c(C)cc(/C=C(/C#N)c3ccc(I)cc3)c2C)c(C#N)c1C 409368647 GDMLCWXVAJTZNR-GRSHGNNSSA-N 467.310 5.844 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409392494 MXHHVCGWHUGPFP-GRSHGNNSSA-N 497.320 6.538 50 40 JKGB N#CC1=C(N)Oc2c3c(c4ccccc4c2[C@@H]1c1ccsc1)[C@H](c1ccsc1)C(C#N)=C(N)O3 1819013 LWHKJYHQYRKASM-WOJBJXKFSA-N 480.574 5.399 50 40 JKGB COc1ccc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(C)cc1 2769649 DGGMWGMRHOXNRN-OZXSUGGESA-N 450.542 5.176 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1 6015245 AAPFEANBHNGRCF-AREMUKBSSA-N 498.583 5.532 50 40 JKGB C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12)c1ccc(OCC(C)C)cc1 8454665 PGVGFONEVUUNBL-VUTHCHCSSA-N 457.599 6.461 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccc(F)cc1 8817745 NJRSNKZFOFOXKC-QRQIAZFYSA-N 493.995 5.668 50 40 JKGB O=C(Oc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1)c1cccc(F)c1 9553701 XWKRELYVVXEEFM-LGJNPRDNSA-N 452.894 5.677 50 40 JKGB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\C#N)c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 12658519 SXQDLEQHMPLDCF-HLVNSREUSA-N 479.968 5.460 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)NC1CCCCC1 13382088 NSURFDIEUGYEEX-LDADJPATSA-N 452.385 6.352 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2n1Cc1ccccc1C#N 15227544 XNPOVVNOEKJLES-XYGWBWBKSA-N 483.575 5.617 50 40 JKGB Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccco2)ccc1OC(C)C 16700225 CPYZOZNVDDNGHR-JCMHNJIXSA-N 466.541 5.451 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(I)c1OC(C)C 33422361 JEKUCVLAKMBIPX-MFOYZWKCSA-N 477.298 5.239 50 40 JKGB Cc1ccc(COc2ccc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)cc2Br)cc1 34879912 RXPAXOOXSUQJGQ-NDENLUEZSA-N 458.359 6.585 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccn3-c3ccc(F)cc3)o2)cc1 35251484 YAHQSRATCUOSLB-MNBJERMJSA-N 496.542 5.960 50 40 JKGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1 59473670 ZRIPWHVNOYYYQR-VULFUBBASA-N 463.559 5.174 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCC(=O)c3ccc(Cl)cc3)N=C3CC(C)(C)CC(O)=C32)cc1 102576159 RBEMDYOTPQPRGN-DEOSSOPVSA-N 493.028 6.870 50 40 JKGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 107648713 ZKMICTBRBUUQDX-MXAYSNPKSA-N 458.301 5.173 50 40 JKGB COc1cc(N(C)C)ccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1 107678848 LZUZZUXKOATVIS-RHANQZHGSA-N 486.572 5.105 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)COc3ccc(Br)cc3)cc21 223503426 HCWRQKSTAPFIRX-MZJWZYIUSA-N 484.438 5.697 50 40 JKGB O=C(COc1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 408528178 UCAMQIRYPFJSKR-LQKURTRISA-N 489.369 5.710 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(Cl)c1OC(C)C 408570179 SMRQVTSQRQGSKA-DHRITJCHSA-N 495.066 5.534 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1OC 408580990 FRYMOUOSYPZSPI-VXLYETTFSA-N 470.352 6.662 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1cccc(F)c1 408793020 CTZOAMNTZDDRNJ-YBFXNURJSA-N 495.348 6.030 50 40 JKGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br 408793122 DDJRVHNQBNORAM-MDWZMJQESA-N 450.119 5.314 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1 408803991 BOSDEERWCDPYDZ-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2ccc(F)cc2)c1Cl 408813226 QESOPVJKMXORLW-OPEKNORGSA-N 464.280 5.410 50 40 JKGB C#CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 408834876 WAZUENOFYZTHKY-XSFVSMFZSA-N 477.347 6.130 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCc1c(Cl)cccc1Cl 408897569 YHMYCELVQSPOBD-BRJLIKDPSA-N 474.300 5.253 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc(C)n(-c3cccnc3)c2C)cc1 408954561 XSWNQJLLOGBTCX-MZFJOGFUSA-N 473.580 6.019 50 40 JKGB O=C(N/N=C/c1cc(Br)c(Sc2ccccc2)o1)c1cc2cc([N+](=O)[O-])ccc2o1 408965275 JTSQOJKYBDILDZ-SSDVNMTOSA-N 486.303 5.612 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cn(Cc2cccc(C)c2)c2ccccc12)c1ccccc1 408981202 VFCQJTOUIKIRQO-ULPGGUMISA-N 482.584 5.326 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1F 408983051 JWEUGRZDAYZYLW-GRSHGNNSSA-N 499.369 6.964 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C\c1c(OCc2ccccc2Cl)ccc2ccccc12 409021503 KQIVJCZHQQEEOC-KYHGBAKBSA-N 495.966 6.150 50 40 JKGB C=CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 409036063 LAMNDDHBDGILAO-AJBULDERSA-N 457.533 6.384 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409068534 RVEGDUKFTCXSIW-HYARGMPZSA-N 471.469 5.883 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)c(OC(C)C)c(OC)c3)cc2c1 409187617 SMKPARRNCUZYEK-MSXFZWOLSA-N 475.339 5.154 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)c1ccc(Cl)cc1 409192037 SZFCOSMEXJTAIW-IPPBACCNSA-N 483.782 7.143 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OCC)c1OCc1ccc(Cl)cc1 409194585 PUFKRCGOECDWSS-JCMHNJIXSA-N 464.993 6.012 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C(C)C)cc1 409238484 DPIQDAVADOOFEN-BKUYFWCQSA-N 451.492 6.782 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@H]2c1ccc2c(c1)OCO2 1436334 BMUWBYNOHOGOKX-JOCHJYFZSA-N 481.474 5.375 50 40 JKGB O=C(Nc1cccc(Cl)c1)Oc1c(Br)cc([N+](=O)[O-])cc1Br 1652002 CNZBNPNROXENJX-UHFFFAOYSA-N 450.470 5.384 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1 1771966 JGWJTEJKRFJBCN-LGJNPRDNSA-N 498.029 5.780 50 40 JKGB Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccc(Br)cc3)s2)cc1 1812374 FBVZEGLROIRXNY-UFFVCSGVSA-N 493.477 5.144 50 40 JKGB C=CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\NC(=O)c1cccc(Br)c1 1952767 XYDXGLSSEFKHIS-GFMRDNFCSA-N 462.800 5.373 50 40 JKGB CC1=CC(C)(C)N2C(=O)C(=C(C#N)C#N)c3cc(OC(=O)c4ccc(-c5ccccc5)cc4)cc1c32 2422257 SZZNUQUWHVRACF-UHFFFAOYSA-N 471.516 5.916 50 40 JKGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1cc2c(s1)CCCC2 3396689 CBRDXHZEGUSSTP-LQKURTRISA-N 466.566 5.990 50 40 JKGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1cn(Cc3ccccc3)c3ccccc13)CO2 4468589 DXCCZWZGJYTCBI-GQBAQEOFSA-N 467.569 5.277 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cn(Cc2ccc(C#N)cc2)c2ccccc12 8812952 FDBBVDDPGMICDR-CCVNUDIWSA-N 487.357 5.096 50 40 JKGB CC/C(=N\NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1cccc(Cl)c1 12650696 USANPUQPOGCTQH-SOYKGTTHSA-N 484.021 5.013 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)c(C)c1 16713698 FHRSZPWCFXMHBT-MOHJPFBDSA-N 474.564 5.636 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc(OC)cc2)=C(C#N)[C@H]1c1ccccc1Cl 20150266 IZGROZNUZPISII-XMMPIXPASA-N 495.000 5.390 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)c(C)c1 20195307 AGJNVRZZZAUMBJ-OCSSWDANSA-N 456.973 6.382 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(Cl)c3Cl)nc3ccccc3c2=O)cc1 32577045 IAPQOFADAGNHGP-WKIKZPBSSA-N 497.407 5.243 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1cccc(C)c1 33663102 VVLDFTZYLDSLTA-WGARJPEWSA-N 459.458 5.001 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)c1ccc2ccccc2c1 33727683 BNWDRNVOGAVCKM-VYYCAZPPSA-N 480.394 8.943 50 40 JKGB CC(C)(C)[C@@H]1CC=C2[C@H](C1)[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)C2(C#N)C#N 36046361 KPMDRDWXBMRHGE-IAMHBRQHSA-N 453.359 5.454 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 59117119 ACPUUBICMHHKTK-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 59117560 DRQQHNDVZXFLRJ-WOJGMQOQSA-N 453.325 6.127 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(Cl)c1Cl 59336574 XFRLGDMAZBZIBM-ATVHPVEESA-N 468.296 6.026 50 40 JKGB N#C/C(=C\c1cn(CCOc2ccc(Cl)cc2)c2ccccc12)C(=O)NCc1cccs1 59534536 BILWEMMRTWQXAI-NBVRZTHBSA-N 461.974 5.659 50 40 JKGB Cc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)c(C)n1-c1cccc(Br)c1 107894388 DTHWGUSSICMUSN-YBFXNURJSA-N 466.429 7.123 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC 408539580 XSMWCDPLUTUQDI-UYRXBGFRSA-N 471.395 6.271 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1cccc(F)c1 408570303 TYXKXSUHWONGTH-PXNMLYILSA-N 496.311 6.255 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCC(=O)Nc1cccc(C)c1 408581242 VICZEZKKWUVMKX-CIAFOILYSA-N 491.385 6.156 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(Br)c1OCc1ccccc1Cl 408599289 RZZQWFKPINZLEJ-NVMNQCDNSA-N 489.196 7.408 50 40 JKGB O=C(N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1)c1cc(Br)ccc1O 408600547 CWIFASZTOOOZHT-OPEKNORGSA-N 477.717 5.290 50 40 JKGB O=C(CSCc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408727746 RTIMXRVUULKECE-AUEPDCJTSA-N 464.330 5.545 50 40 JKGB N#C/C(=C/c1cc(Cl)cc(Br)c1O)C(=O)Nc1ccc(Br)cc1 408745637 UNTWYSFOYSVVTR-YHYXMXQVSA-N 456.521 5.116 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1cccc2ccccc12 408763158 RNHBRJVMWBUHQR-RCCKNPSSSA-N 463.449 5.513 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1cccc(C)c1 408788265 BUVKBXXDOCZWIT-FYJGNVAPSA-N 476.960 6.180 50 40 JKGB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2cccn2-c2ccc(Cl)cc2)c1 408853213 ZWEJADUUJYYPKB-UHFFFAOYSA-N 451.357 5.956 50 40 JKGB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCC1 408861170 ONPRSYRGZQCLNX-UHFFFAOYSA-N 481.540 5.117 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2ccccc2Cl)cc1 408878220 YJUALKBMCWVRLX-FYJGNVAPSA-N 460.917 5.272 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2F)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408882078 PEEGDJQHADYEHR-LGUFXXKBSA-N 462.524 6.541 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1OCc1ccccc1Cl 408882410 RAJAGPAYGDFZDQ-CPNJWEJPSA-N 477.904 5.690 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1cc(C)cc(C)c1 408886221 FKYUQUPDWVTRRH-RGVLZGJSSA-N 462.933 5.796 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c([N+](=O)[O-])c1 408889740 GPOMLECSOZRUDN-LICLKQGHSA-N 498.322 6.035 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1OCc1ccc(Br)cc1 408926179 VTNHXUVSMGHIOS-QGOAFFKASA-N 497.776 6.236 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(F)cc1 408962396 IBFRHPRMTHGUQV-XKJRVUDJSA-N 480.845 5.849 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 409052428 SFOUCQVZDDYSTJ-KKMKTNMSSA-N 477.775 6.307 50 40 JKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Cl)cc1Cl 409101447 YHWJPCMERZAVFF-PTNGSMBKSA-N 459.785 7.344 50 40 JKGB Cc1cc(-n2c(C)cc(/C=N/NC(=O)[C@H](C#N)c3ccccc3)c2C)cc(C)c1Br 409193473 DKJKHRWZWXEKCS-QESWDSMOSA-N 463.379 5.231 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)NCCCc1ccccc1 409239711 DGSXVMRACQZRRU-JWGURIENSA-N 465.380 6.228 50 40 JKGB N#C/C(=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)C(=O)NCCCc1ccccc1 409244596 GAOJSEBPUOJLAV-PLRJNAJWSA-N 491.547 5.983 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 1454131 JKFJPZORKMTUKY-MHWRWJLKSA-N 498.366 6.985 50 40 JKGB COc1ccc(C(c2ccc(OC)c(Br)c2)C(Cl)Cl)cc1Br 2298499 IAGKYSGHJKGZCQ-UHFFFAOYSA-N 469.000 6.164 50 40 JKGB CCOc1cc(/C=C(\C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1C#N 2866081 SHIJHYGLTAIQNF-UFFVCSGVSA-N 459.889 6.162 50 40 JKGB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc3ccccc23)cc1 3991860 WWWPBYCRKQFDQI-HAVVHWLPSA-N 481.577 5.803 50 40 JKGB COC(=O)CCc1ccc(N[P@@](=O)(Oc2ccccc2)N(CCCl)CCCl)cc1 4803189 GEUIMFOJTWUHFH-GDLZYMKVSA-N 459.310 5.171 50 40 JKGB N#C/C(=C\c1c(Oc2ccc(Cl)cc2Cl)nc2ccccn2c1=O)c1nc2ccccc2[nH]1 9291156 VIGCGGSZYCKWDE-SDNWHVSQSA-N 474.307 5.734 50 40 JKGB N#C/C(=C\c1ccc(OCc2c(F)cccc2Cl)cc1)C(=O)Nc1ccc(C(=O)O)cc1 12628311 GAPHSBAACJVZIH-SFQUDFHCSA-N 450.853 5.302 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccc(Cl)cc1 13940215 YMBSBPMWDOIJJM-USHMODERSA-N 490.032 5.837 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl 28216504 VTMPHSKOVJLDSU-PZIWGWIQSA-N 480.848 6.685 50 40 JKGB CC(C)Oc1c(Br)cc(Br)cc1/C=C(\C#N)c1nc2ccccc2[nH]1 33697200 BGJUDKNXHKTMOA-NTUHNPAUSA-N 461.157 5.939 50 40 JKGB N#C/C(=C\Nc1ccc2ccccc2c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 39928060 GNICYVCBAFACOX-QGOAFFKASA-N 466.478 5.954 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 58833703 RQYLFOGGXNBXAY-BKUYFWCQSA-N 457.486 5.345 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccccc1 59116679 BWVZQAUVPITJGM-LDADJPATSA-N 467.750 6.227 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cccc(C(=O)O)c1 59336083 QYYYUZOQNPFTSL-YVLHZVERSA-N 454.313 5.645 50 40 JKGB CCOc1cc(/C=N\NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1ccc(Cl)cc1Cl 59702418 KCRJPLAKSDPOOS-LNEYWLIMSA-N 475.416 6.248 50 40 JKGB O=C(c1ccc(OC(F)F)cc1)[C@H](Br)[C@H](Br)c1ccc([N+](=O)[O-])cc1 98042972 MGBFLOWZOCIWBB-ZIAGYGMSSA-N 479.071 5.279 50 40 JKGB CCCCCCCC[C@@H](Cl)[C@@H](Cl)CCCCCCCC(=O)[C@H](C(=O)O)[C@H](O)C[N+](C)(C)C 100500841 TYGGPHDVLKGGFC-JSRBNTPPSA-O 497.568 6.020 50 40 JKGB Cc1cccc(Oc2ccc(N3C(=O)[C@H]4C[C@H](Br)[C@@H](Br)C[C@H]4C3=O)cc2)c1 103121074 OYPVHBMYKLKSNL-RDGPPVDQSA-N 493.195 5.214 50 40 JKGB Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C)[C@@H](C)CC(C)(C)N2C(C)C 223606491 ZJJSEMKMOOMFMT-UMUMUWHJSA-N 450.026 7.003 50 40 JKGB CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccccc2)cc1Br 408540586 UFNZCJWCGLKSRR-UCQKPKSFSA-N 482.216 5.935 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)ccc1OCc1cccc2ccccc12 408566902 JAVHKWUQTVHELH-ZCTHSVRISA-N 466.581 6.127 50 40 JKGB CCCOc1c(I)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OC 408581052 TVHLSUISPSIRDE-OQLLNIDSSA-N 498.158 5.915 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1OC 408582502 OLENSASGVGBDGZ-XDHOZWIPSA-N 493.357 5.548 50 40 JKGB C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 408610119 MIMROHHTFDNFOX-RWPZCVJISA-N 498.366 5.226 50 40 JKGB C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Br 408745768 VJIUCOXBZSALPC-DHDCSXOGSA-N 474.152 5.078 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1F 408806615 AMCWYFLGIUBMIL-WQRHYEAKSA-N 495.304 5.411 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1cc(OC)ccc1OC 408807255 KTWSDLCVRMQRDP-XUKKDASRSA-N 478.589 5.283 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1Cl 408817273 VQWCTYQKSVNERO-RVDMUPIBSA-N 484.339 6.361 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)c(Cl)c3)c(C)c2)c1 408844935 FRTKCAAHHIRVEV-WSDLNYQXSA-N 479.407 7.352 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(C)c1OCc1ccc(Cl)cc1 408852441 FVRXEGHNCZCLHN-KKMKTNMSSA-N 461.776 6.607 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 408869359 CEKYYCFLKCIUAU-LICLKQGHSA-N 474.841 6.623 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(OS(=O)(=O)c2ccc(C)cc2)c1 408880361 JNJBWJKKEIHNNB-XDHOZWIPSA-N 496.972 5.279 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OCc1cccc2ccccc12 408880945 JMBBJBDORQIYDN-OEAKJJBVSA-N 493.519 6.190 50 40 JKGB N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1cc(Cl)ccc1Cl 408899164 ZOLGEZPFMPQTRP-YRNVUSSQSA-N 462.676 6.361 50 40 JKGB Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1 408899224 ZYIIOZKSLXDGMB-XQNSMLJCSA-N 466.968 7.235 50 40 JKGB COc1cccc(/C=N/NC(=O)COc2ccccc2Cl)c1OCc1ccccc1Cl 408914084 SMQLOIOULUBBHG-LGJNPRDNSA-N 459.329 5.110 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 408921328 AJQVFHIKTHPCRC-FRKPEAEDSA-N 485.327 5.863 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)c(C)n1-c1ccc(Br)cc1 408922920 HOOKREBSLJILGC-SFQUDFHCSA-N 464.319 5.101 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)c1cccc(C(F)(F)F)c1 408964284 QNHRSCLXVXRSRJ-KIBLKLHPSA-N 471.660 6.145 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=N\NC(=O)COc3cccc4cccnc34)cc2Cl)c1 409023943 OACLOHHTJLTACT-CPDSRJINSA-N 494.378 5.958 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 409067663 QNCWTVBEKZUQRE-BUVRLJJBSA-N 497.551 6.073 50 40 JKGB O=C(Cc1cccs1)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 409195317 OKSNMGHXRPOXBP-CVKSISIWSA-N 479.399 5.936 50 40 JKGB Cc1ccn2c(C(=O)N/N=C/c3nn(-c4ccccc4)cc3-c3ccc(Cl)cc3)c(C)nc2c1 642408 OMMKQSWDOOSHMY-RWPZCVJISA-N 468.948 5.221 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1cccc(OCc2c(F)cccc2Cl)c1 987154 SXLMSNRAYWNJHK-FQEVSTJZSA-N 478.936 5.728 50 40 JKGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 1790238 VUYGHOZWBJIGGK-OBKVJGTNSA-N 465.333 5.122 50 40 JKGB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl 2278322 DDMOOPDMOXBPPY-OQLLNIDSSA-N 489.355 6.583 50 40 JKGB C[C@H]1CCc2sc(C(=O)N/N=C/c3sc(N4CCCCC4)nc3-c3cccs3)cc2C1 3383401 QBKOMASLLJVNHU-BGHCKBSUSA-N 470.689 5.812 50 40 JKGB C/C(=N\NC(=O)CCCCCCC(=O)N/N=C(\C)c1ccc(C)cc1C)c1ccc(C)cc1C 8398352 UNJXHOMYTWGSGL-HCTXVGCHSA-N 462.638 5.641 50 40 JKGB CCCCc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(OC)c4OC)CC(=O)N3C2)cc1 9693557 NFXNKFSOHBHCJB-OAQYLSRUSA-N 463.603 5.266 50 40 JKGB COc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccc(F)cc3)nnc2-c2ccc(C)cc2)cc1 9836767 XZTQRVVIJXEQBM-MTDXEUNCSA-N 489.576 5.023 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)c(C)n1-c1ccccc1Br 20240875 UUIIMBJRNYHNQZ-BRJLIKDPSA-N 490.854 5.894 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 28640854 NOQVCZZNIZSMED-MBTHVWNTSA-N 479.964 5.137 50 40 JKGB Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 32180704 PRKVMFFYKGTWFJ-LQNQUEJISA-N 492.406 5.787 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1F 33560614 BPGNONXMMQKZKE-SFQUDFHCSA-N 479.895 5.051 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 33647861 JWCXCRFOORDMPO-ZCTHSVRISA-N 460.533 6.345 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)cc1 35419405 LXEFFYOSLGHIEK-JWGURIENSA-N 479.536 5.421 50 40 JKGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1Cl 58913571 NBHQNEXICZCIRN-KBKYJPHKSA-N 493.778 5.152 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1OCc1cccc(C)c1 59332853 KETYOXMOJJWNLS-XHPQRKPJSA-N 481.596 5.229 50 40 JKGB CC(=O)Nc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(O)CCCC3=N2)cc1 104150610 OLPHIMOARZHRBH-JOCHJYFZSA-N 478.599 5.348 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccccc1F 209488156 OGVWDFYMXBCUER-CIAFOILYSA-N 466.350 6.939 50 40 JKGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OC 408751831 CQLZVPURPBNWIO-ZSOIEALJSA-N 492.167 5.331 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12 408763467 FOGMZXGAYUQFFJ-CPNJWEJPSA-N 468.944 5.788 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCc1ccc(C)cc1 408776690 PRADKZOHFJMMGI-FDVSRXAVSA-N 456.464 5.755 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 408789711 RLUTWYYLIRJQPE-RCCKNPSSSA-N 460.917 5.641 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1 408878947 DGWLZAZKKWYJED-MZJWZYIUSA-N 457.357 6.043 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1c(Cl)cccc1Cl 408893795 FRPPUTHMKKESKN-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 409362968 KPMMMPYDMSIQKE-XODNFHPESA-N 451.357 5.559 50 40 JKGB CN(C)c1ccc(/C=C(/C#N)c2ccc(I)cc2)cc1Br 409368679 HPDOUNMWJLWJFS-ZROIWOOFSA-N 453.121 5.184 50 40 JKGB N#CC1=C(N)Oc2cccc(O)c2[C@@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1 2747813 LMAQVWNZLLKBIT-OAQYLSRUSA-N 483.749 5.605 50 40 JKGB O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 3525605 JOZVIIBGWDNLRM-OGLMXYFKSA-N 462.465 5.834 50 40 JKGB O=C(NNc1ccnc2cc(Cl)ccc12)/C(=C/c1ccccc1Cl)NC(=O)c1ccccc1 8651901 ZPAXASWMGIZMAR-UCQKPKSFSA-N 477.351 5.456 50 40 JKGB CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccccc4)ccc32)cc1 8917142 KDSZZUILACQLFN-AREMUKBSSA-N 454.526 5.693 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@@H]3c3ccccc3)o2)sc2c1CCCC2 12273880 JRDZYPFABDSMFB-ACUZNPPPSA-N 486.593 6.213 50 40 JKGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1cc2ccccc2o1 12658132 OLVVIHGVAWWBPR-MFKUBSTISA-N 467.934 5.041 50 40 JKGB C/C(=N\NC(=O)c1ccc(COc2cc(C)ccc2C(C)C)cc1)c1ccc2c(c1)OCCCO2 13069762 JYJRGAZIUDJCPV-MWAVMZGNSA-N 472.585 6.013 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)ccc1OCc1ccc(Cl)cc1Cl 13590410 KCRJPLAKSDPOOS-RMTGSOEFSA-N 475.416 6.248 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 13595540 MLDXYQFKKJKVCJ-FOKLQQMPSA-N 452.135 5.709 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)OCc2nnc(-c3ccccc3)o2)c(C)n1-c1cccc(Cl)c1Cl 15125570 BZTWBXVOAAUUNW-XDHOZWIPSA-N 493.350 6.101 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2Cl)=C(C#N)[C@@H]1c1ccccc1F 19901184 LSFIHDPGSYHCBL-QHCPKHFHSA-N 497.979 5.276 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(Br)c(I)o1 33752257 XKEPHMTWYUVEKC-WTKPLQERSA-N 491.510 5.154 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccc(Cl)cc1Cl 34696949 SDYUDMQTCNDYNX-UVHMKAGCSA-N 486.355 5.303 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccccc1C#N 34799283 GTTFGPNBGGTJBQ-FDAWAROLSA-N 479.536 5.462 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)c(OC)c1 34878261 WLQLJVSWIOWHLR-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB CCOC(=O)c1c(N/N=C(/C#N)c2nc3ccccc3s2)sc(SC#N)c1-c1ccccc1 34888757 QSPKHHRZLNLNCB-YUMHPJSZSA-N 489.607 6.114 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1ccccc1 35132073 MMMKRPQFYPNEGE-MYYYXRDXSA-N 484.393 7.644 50 40 JKGB Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c3ccccc32)c1 59117598 XZQVLEXRMRCKLH-UNOMPAQXSA-N 460.364 6.851 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(Cl)cc1 59336215 SBSJNCBCUAPOOK-BOPFTXTBSA-N 487.770 6.780 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(SCc3ccccc3)N=C3CC(C)(C)CC(O)=C32)cc1OC 103698691 SURNFKCYJOLBOP-XMMPIXPASA-N 460.599 6.543 50 40 JKGB N#C/C(=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)Sc1nc2ccccc2s1 108165351 JKGVIFBHPULWKO-XQNSMLJCSA-N 473.626 8.109 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(C#N)cc1 408553179 MMHZNJOCOWGGLL-UDWIEESQSA-N 451.555 5.323 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1Br 408580707 RCIHZSWOBYVRDY-RIYZIHGNSA-N 455.577 6.718 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4)c(Cl)c3)CC2=O)cc1 408603780 HAWJEMJFMPHBFR-SFHVURJKSA-N 484.383 5.377 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(OC)c1OCc1ccc(F)cc1 408677978 WOZJOBAHZBYMON-ZCTHSVRISA-N 487.575 5.506 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc2ccccc12 408756745 SZONCUFWNBBYOH-XSFVSMFZSA-N 487.342 6.911 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCCCCCC2)c2ccccc2)cc1 408769325 RAULTBCMXCWRIX-UHFFFAOYSA-N 483.678 5.967 50 40 JKGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OCC 408792683 BXVPWSVJSPPLGV-XNTDXEJSSA-N 461.743 5.612 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 408798758 WVHNCRGJKKLFIL-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2c(C)ccc3ccccc23)ccc2ccccc12 408802616 ZKKDMGLWGUJOCO-LGUFXXKBSA-N 482.583 7.735 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccc(F)cc1 408820815 ZBKHMHDBFPWDGL-JLPGSUDCSA-N 456.517 5.365 50 40 JKGB Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C 408874407 BCSKGRORNJFGQQ-RGVLZGJSSA-N 484.905 7.100 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408933592 BLKGRECGEAXVCJ-NVJOKUIPSA-N 477.870 5.157 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 409046187 JITYRDJOGWHQRU-XDHOZWIPSA-N 475.932 5.220 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 409189997 PMVUCNVLWITXLX-LQKURTRISA-N 493.947 5.718 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)c1C 409224571 MLOCCGOBVDXIHK-MOSHPQCFSA-N 459.933 5.520 50 40 JKGB Cc1c(/C=N/NC(=O)Cc2ccc3c(c2)OCCO3)c2ccccc2n1Cc1ccccc1Cl 409362416 JJUAZNHAVAEWHM-MUFRIFMGSA-N 473.960 5.115 50 40 JKGB Cc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c(C)n1-c1cccc2ccccc12 409390484 DEEKYVSOGZRUAC-RUMWWMSVSA-N 457.577 6.530 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc(-c2ccc(Cl)cc2)o1 2670203 DOCJKNVVRGZAKQ-MUFRIFMGSA-N 453.929 6.367 50 40 JKGB O=C(CNc1ccc(Cl)cc1Br)N/N=C/c1cccc(Oc2ccccc2)c1 3193584 YWJSOYNNATYMFT-DHRITJCHSA-N 458.743 5.457 50 40 JKGB N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)Oc1ccc([N+](=O)[O-])cc1 6474345 KYZCNEBOOKXTRY-UHFFFAOYSA-N 467.506 5.893 50 40 JKGB CC(=O)c1cc2c(cc1N/C=C(\C#N)c1nc(-c3ccc(Br)cc3)cs1)OCO2 9057803 FIKSLTUERLUIGB-NTEUORMPSA-N 468.332 5.480 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(NC(=O)c3ccccc3OC)Oc3c2ccc2ccccc32)cc1 9762877 DUANCJBULZOGLI-SANMLTNESA-N 462.505 5.546 50 40 JKGB C/C(=N\NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)c1ccc(-n2ccnc2)cc1 12311313 CIZAPUHPQXDCRX-UZWMFBFFSA-N 485.547 5.340 50 40 JKGB CC/C(=N\NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)c1ccc(OC(F)F)cc1 12649424 HNHYGMFNUUHXDR-QCKNELIISA-N 480.555 6.709 50 40 JKGB N#C/C(=C\c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccccc1C(=O)O 13058616 NQIXDABZZUKWIK-XNTDXEJSSA-N 480.307 5.490 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1F 13388106 QQCKNTLSFPIRJJ-KGENOOAVSA-N 467.456 6.012 50 40 JKGB COc1cc(/C=N\NC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1ccccc1Cl 32119781 PMMXXQFXKYEGRB-FDVSRXAVSA-N 494.975 5.529 50 40 JKGB O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(COc2ccccc2)cc1 33779794 VZNDJTNTAUTBAN-RDRPBHBLSA-N 478.577 5.944 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c(C)c1 59201873 BXVOGLKNOFPVOH-UDWIEESQSA-N 451.353 6.735 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2F)cc1C 59224561 UEOAWGHLEQDTJN-UDWIEESQSA-N 479.349 6.330 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1OC 59336460 NLPBCLCNZUXCOL-GHXNOFRVSA-N 470.150 5.709 50 40 JKGB C/C(=N\NC(=O)c1ccc(CSCc2ccccc2)cc1)c1ccc(NC(=O)c2ccccc2)cc1 59473588 CHXGZGSKRKVMJP-WEMUVCOSSA-N 493.632 6.526 50 40 JKGB Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)C3=C(O)CCCC3=N2)c1 104107795 CPWFIJWNJDDGLW-VWLOTQADSA-N 457.599 6.253 50 40 JKGB FC(F)(F)C(F)(F)C(F)(F)C(C/C=C/CBr)(C(F)(F)F)C(F)(F)F 221479042 PPTIBUNHUKAXDS-OWOJBTEDSA-N 453.036 6.272 50 40 JKGB CCCCc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 408552900 SDSRYYMMOKOCBH-MWLSYYOVSA-N 498.410 6.117 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1Cl 408735067 NNKJNIATNGUKPL-WOJGMQOQSA-N 494.809 7.504 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1Cl 408792303 AOAVGMOTZTTYMU-VCHYOVAHSA-N 455.316 6.566 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c(C)c1 408798443 FFJCTAGVXKPWPK-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1I 408799116 YDCHGHWNDZATQS-MDWZMJQESA-N 497.119 5.156 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCc1ccccc1 408820705 ZIXFWPNVTNGYPV-KQWNVCNZSA-N 456.517 6.078 50 40 JKGB O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc([N+](=O)[O-])cc1 408846284 MLGNZCMMLLXIBU-UFFVCSGVSA-N 480.727 5.519 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc([N+](=O)[O-])cc4)cc3)cs2)cc1 408847604 TVKYFQHMKHVZNE-AFUMVMLFSA-N 457.515 5.534 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2F)c(Br)c1)C(=O)Nc1ccc(F)cc1 408881407 JHDGPCCMZQVWBA-WOJGMQOQSA-N 453.286 5.864 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)cc2)cc1 408889735 GNGIYBDKBKTUPT-XMHGGMMESA-N 466.946 5.270 50 40 JKGB COC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)c1C 409247591 DLIZFJLRXVCUJN-PTNGSMBKSA-N 454.404 5.606 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)ccc1OCc1cccc2ccccc12 409378652 RAUAABKPUMUBNG-IWIPYMOSSA-N 451.526 5.523 50 40 JKGB CCCc1ccc(-c2cc(C(=O)NNC(=O)Nc3ccc(Cl)cc3)c3ccccc3n2)cc1 648222 USISELMQGHFMGT-UHFFFAOYSA-N 458.949 5.974 50 40 JKGB CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(COc2ccc(F)cc2Cl)c(C)cc1C 650565 SXDLIBUGCFRBNR-QHCPKHFHSA-N 470.928 5.320 50 40 JKGB Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 1888029 CSDBICFFYGAKAI-IEQIIXMPSA-N 467.594 5.677 50 40 JKGB CC(C)(C)[C@H]1CCc2c(sc3nc(NNC(=O)c4ccccc4)n(Cc4ccccc4)c(=O)c23)C1 2183467 PDCVUUBXWAVVNP-FQEVSTJZSA-N 486.641 5.414 50 40 JKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)(F)[C@@H](F)Cl)n2)cc1 2312807 MJAIXSOSBBNFCP-CZIOWHBQSA-N 463.912 6.855 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(Cl)c(C)c1 9187370 QWMBEHQGKVSMNU-CPNJWEJPSA-N 486.959 6.005 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccc(Br)cc1 9489291 OLECBOJPMCZUCW-ZMOGYAJESA-N 488.179 5.555 50 40 JKGB CC(C)CCOc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1Br 12137064 ACASGWNBJMVACG-QGZVFWFLSA-N 499.405 5.256 50 40 JKGB Cc1ccc(C)c(/C=C(\C#N)S(=O)(=O)c2cc(Br)ccc2Br)c1 13148644 BVRXCRQNVLIHBI-OVCLIPMQSA-N 455.171 5.167 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 14151800 XNBHALPEKJLLRH-CPNJWEJPSA-N 484.537 5.531 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 16476628 OPDSKVYMYYHDQC-BRJLIKDPSA-N 492.156 5.739 50 40 JKGB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)COC(=O)/C(C#N)=C\c3ccc(OC)cc3)cc2)cc1 33555608 IRBBFQNNIAXRQJ-PYCFMQQDSA-N 498.579 6.264 50 40 JKGB CN(C)c1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1Br 59473432 XPKBYSFCHCCOIP-MFKUBSTISA-N 468.420 5.571 50 40 JKGB O=C1O[C@H]2[C@@H]3C[C@@H]([C@H]2Br)[C@H](C(=O)Nc2ccc(Oc4ccc(Cl)cc4Cl)cc2)[C@@H]13 102655071 PNNNISKKHJTMNW-HTVVGEMYSA-N 497.172 5.295 50 40 JKGB Cc1nn(-c2ccccc2)c2c1[P@@](=O)(c1ccccc1)/C(=C1/N(C)c3ccccc3C1(C)C)C=N2 104990516 FGKLFSGVWKOSLC-YECBBXONSA-N 478.536 5.850 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 107635665 NSULVCHDUPERBP-MFOYZWKCSA-N 483.293 6.148 50 40 JKGB Cc1ccc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(I)c4)c3C)nc2c1 107901565 RJEHKHVRFKTIIM-WQRHYEAKSA-N 478.337 5.948 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(I)c1OCc1cccc(C)c1 108030064 PAIJDGUNPJHOSE-ODLFYWEKSA-N 499.323 6.391 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(C(=O)O)cc1 408753279 GBKCDJZGIXMIKN-XDHOZWIPSA-N 462.889 5.171 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc3ccccc23)cc1 408761332 DQYCRZGQHQVBCJ-XIEYBQDHSA-N 476.532 6.141 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(OCC)c1OCc1ccccc1 408767846 PVUWZUZEJWUUHS-ONUIUJJFSA-N 496.607 6.726 50 40 JKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)c1 408779262 CNHYIDQMXRARHI-HMAPJEAMSA-N 456.498 5.297 50 40 JKGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c(C)n1-c1ccc(Br)cc1 408786546 KHFIEAZQLDPAHL-POXDSXPOSA-N 485.389 5.064 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(OCc2cccc3ccccc23)c1 408800242 OCTIZBHHSJAFPN-PCLIKHOPSA-N 462.549 6.590 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(OCc2c(C)ccc3ccccc23)c1 408803059 KVROCQQXXJYIOG-HZHRSRAPSA-N 496.994 7.243 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 408809359 LAFCTNMFACTWKO-OUFZILDSSA-N 463.534 5.174 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccc([N+](=O)[O-])c2)cc1 408809499 HFVDCGANVHDMRJ-XSFVSMFZSA-N 473.485 5.127 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(C)c1OCc1ccc(Cl)cc1Cl 408860073 XUUFYMHXWKEBMM-WCMJOSRZSA-N 491.418 7.035 50 40 JKGB N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408887829 RNHVCKLQGNLRGW-LFIBNONCSA-N 473.337 5.307 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c1OS(=O)(=O)c1ccc(C)cc1 408895165 MINAZVXDDAVYBK-OQKWZONESA-N 498.560 5.470 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 408914656 VQCCWSMULZPIIO-KKMKTNMSSA-N 493.774 5.764 50 40 JKGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 409182120 JCDTYHUCXZWYSF-BRJLIKDPSA-N 474.300 5.253 50 40 JKGB CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)CC(=O)N1 409324962 VPVUROHQGQGXQL-LJQANCHMSA-N 498.446 5.339 50 40 JKGB ClC(Cl)(Cl)SSC(=Nc1ccccc1)SSC(Cl)(Cl)Cl 1568314 HCUUQYLOTOGZJB-UHFFFAOYSA-N 468.132 8.092 50 40 JKGB Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1 1761837 LQWLMXNDXMDVDN-JFLMPSFJSA-N 476.005 5.447 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C)nnc2-c2ccc(C(C)(C)C)cc2)cc1 1822482 GMFCXZQUMYJKME-UXHLAJHPSA-N 497.668 6.091 50 40 JKGB N#CC1=C(N)Oc2c(sc3ccccc23)[C@@H]1c1ccccc1OC(=O)c1cccc(Cl)c1 1825486 NSUBUUPEFBETOO-OAQYLSRUSA-N 458.926 5.992 50 40 JKGB COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OCc1ccc(Cl)cc1Cl 2077076 HCRIZTDROWTZEM-KKMKTNMSSA-N 493.774 5.764 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2342723 GAQVJLPLNWHLTF-HVBJHMBASA-N 473.985 5.713 50 40 JKGB Cc1ccc([C@H](Br)[C@@H](Br)C(=O)c2ccccc2OCc2ccccc2)cc1 3138091 NQMMFKFBNQKYOM-FCHUYYIVSA-N 488.219 6.656 50 40 JKGB O=C(N/N=C/c1ccc(N2CCOCC2)s1)c1ccc(CSc2nc3ccccc3s2)cc1 3348338 ZVJGLRNKGFVZIF-MFKUBSTISA-N 494.667 5.251 50 40 JKGB Cc1ccc(NC(=O)N(NC(=O)NC2CCCCC2)c2nc(-c3ccc(Cl)cc3)cs2)cc1 3768084 PMHMBNKPZMUQOJ-UHFFFAOYSA-N 484.025 6.357 50 40 JKGB N#C/C(=C\Nc1ccc(Br)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 9108902 BIFMXYZNAPUQMW-JLHYYAGUSA-N 495.314 5.564 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 10060142 DHHCROAANQAYIH-DHRITJCHSA-N 498.879 5.420 50 40 JKGB N#C/C(=C\c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)C(=O)Nc1ccc(F)cc1 12578395 PRRPRGCDYQRIJT-ZBJSNUHESA-N 457.508 6.982 50 40 JKGB O=C(c1ccccc1)[C@]1(c2ccccc2)SS[C@@]1(C(=O)c1ccccc1)c1ccccc1 17003119 COXRUMPIUMQNQX-HNRBIFIRSA-N 452.600 6.938 50 40 JKGB CC(=O)Nc1ccc(OCCOc2ccc(/C=C(C#N)/C(O)=N/c3nc4ccccc4s3)cc2)cc1 20235145 NAAOAQXZFXKLBD-CAPFRKAQSA-N 498.564 5.908 50 40 JKGB Cc1cc(C)c(OCC(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)c(Br)c1 30902111 YTBHNLXBXSFFQA-WGARJPEWSA-N 467.363 5.174 50 40 JKGB COc1ccccc1OCC(=O)N/N=C(\C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 58917109 RCNYUXWZQIOGNR-GGTHLKLASA-N 467.569 5.441 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc3ccccc3c2)ccc1Oc1nc(Cl)ncc1F 98087123 XHGPWTPPSIRUSJ-IPPBACCNSA-N 478.911 5.306 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)c1 107642381 VOGSNKGTTHFPKD-CFRMEGHHSA-N 471.922 5.181 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc2ccccc2c1 108981516 TVKKNLWTWLYTRI-FMCGGJTJSA-N 470.912 7.053 50 40 JKGB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@@H]3[C@H]4C[C@H]5[C@H](OC(=O)[C@@H]35)[C@H]4Br)cc2)c1 408678129 BIMLEJZZEOIKPZ-NTQGCYDRSA-N 484.390 5.420 50 40 JKGB O=C(N/N=C/c1ccc(Cl)cc1)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 408725967 RCUUFTVKBJLUHF-RDRPBHBLSA-N 450.929 6.110 50 40 JKGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1 408757175 VHXSCEKFOBIPCV-XZZBMYDMSA-N 488.415 5.764 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1C 408796683 POBDRXQQWWFVNB-UDWIEESQSA-N 495.804 6.844 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1cccc2ccccc12 408796691 OTTANMSZMWXBOI-BUVRLJJBSA-N 496.994 7.325 50 40 JKGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 408818018 OSCAMLHDDOHPCI-HWFMKSHRSA-N 458.989 6.674 50 40 JKGB C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1cccs1 408826581 FBPOGWBMXQXMMK-BUVRLJJBSA-N 496.441 5.099 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(C)c1OCc1ccc(Cl)cc1 408846521 NVIQRUQZCKAXDG-KKMKTNMSSA-N 461.776 6.607 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c([N+](=O)[O-])c1 408879022 DUBHQXOTZRZYFK-SFQUDFHCSA-N 477.860 5.022 50 40 JKGB N#C/C(=C\c1ccccc1Cc1ccccc1Br)C(=O)Nc1ccccc1Cl 408884126 SSDYYKQRMGMLHC-XMHGGMMESA-N 451.751 6.239 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408889844 JUHQWKGIEDXBGI-JVWAILMASA-N 455.470 5.100 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Br)cc1)C(=O)Nc1ccc(F)cc1 408891592 SYELFYKWKYEWPP-QGOAFFKASA-N 451.295 5.713 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc(C)cc1 408898730 MQURICSBTOOPCN-KKMKTNMSSA-N 477.775 6.307 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)ccc1Br 408904194 GGPFBROOAMQZRA-WKIKZPBSSA-N 495.808 6.570 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 408922575 FFOIZFFWIFSCME-SFQUDFHCSA-N 470.834 6.124 50 40 JKGB COc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1 408997069 QPEZNRLHRIBSDA-MZJWZYIUSA-N 478.643 5.157 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 409070111 NATRAHIYCWDNQN-XQNSMLJCSA-N 483.524 5.847 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 409192421 XHUAZDNEOVPZKE-OKCVXOCRSA-N 475.951 6.230 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 409204194 DCQPEZZOIWCGDX-VULFUBBASA-N 487.781 5.383 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 409213549 SBSGKLMUTMEFAG-UCQKPKSFSA-N 485.496 6.273 50 40 JKGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 409226241 QCJZQTHPBYHYKD-GATIEOLUSA-N 492.702 5.538 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccccc1 409235768 QKLQHEASNUHOKM-WBRURWICSA-N 495.804 6.466 50 40 JKGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 409371570 XFCOANMEXQYNTC-ODLFYWEKSA-N 484.781 5.777 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccccc1Br 943059 SVNQPPNWKVXDRV-SDNWHVSQSA-N 472.136 6.017 50 40 JKGB N#C/C(=C\c1ccccc1)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1 1788402 RUZDPAAHJNNLGM-SFQUDFHCSA-N 488.293 5.860 50 40 JKGB CCC[C@@H]1Nc2c(C(=O)O)ccc([N+](=O)[O-])c2[C@@H]2[C@@H]1C[C@H](Sc1ccccc1[N+](=O)[O-])[C@@H]2Cl 6078136 COGRKLXBUHSTNJ-GONXRHHMSA-N 491.953 5.667 50 40 JKGB O=C(N/N=C\c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)c1ccc(Br)o1 8453919 MOQKNDVQAFBQLI-ROTLSHHCSA-N 483.753 5.371 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(N)N(c3[nH]nc(C)c3-c3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1 9290385 FFDKPBXWDNPAJV-VWLOTQADSA-N 479.584 5.335 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(-c2c(Cl)cc(Cl)cc2Cl)s1 9311091 QMBOQLJYGXOHDU-GOSISDBHSA-N 499.810 6.984 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(Br)cc1 59384075 TUKKLHVHFFCTTC-ZMOGYAJESA-N 488.179 5.555 50 40 JKGB CCN1C(=O)/C(=N/NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c2ccccc21 102979518 VBIMPEQBHDJNCQ-HPNDGRJYSA-N 472.595 5.089 50 40 JKGB CCC[C@H](P(=O)(c1ccccc1)c1ccccc1)[PH](CC)(c1ccccc1)c1ccccc1 104157674 ZJGQKNZIYGUENV-PMERELPUSA-N 472.549 6.548 50 40 JKGB Fc1cccc(-c2nc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cs2)c1 228971082 SVJPTTXZBMXOPX-UHFFFAOYSA-N 454.530 6.443 50 40 JKGB CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)o2)ccc1Cl 408599297 SCYIATXQAGKOIF-JFLMPSFJSA-N 452.938 5.838 50 40 JKGB O=C(NNc1ccccc1OCc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccccc2)C1 408603312 GHBVTSLJGMBAST-KRWDZBQOSA-N 470.356 5.069 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 408741598 KALJALDYWPKVTN-ULJHMMPZSA-N 465.528 6.358 50 40 JKGB CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 408763842 KQYBKLVCJOAYHC-MZJWZYIUSA-N 486.355 5.174 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 408797054 QTQFWWAXUHKDNQ-XNTDXEJSSA-N 459.727 5.059 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1C 408799219 YNOSHXPSLYQKTB-VXLYETTFSA-N 485.798 7.388 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 408801571 VYJSLHJIGMQFJY-NTUHNPAUSA-N 484.177 6.099 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccccc1C#N 408843404 FILYKKWSXSZZSG-FDVSRXAVSA-N 473.916 5.699 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1Cc1cccc(F)c1 408868821 PARBDXACUXVBNS-FRKPEAEDSA-N 489.761 6.931 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1Cc1ccccc1F 408876105 MVLOVWKWQABURN-VCHYOVAHSA-N 469.343 6.586 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OCc2ccccc2Br)c1 408890856 HLXQVKHMXNOIIJ-FYJGNVAPSA-N 491.385 6.199 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc(Cl)cc1Cl 408893686 GSTMKIRRCIDBGC-KBKYJPHKSA-N 468.167 6.643 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408897108 VSLPSWTUFQSFPZ-GZTJUZNOSA-N 474.429 5.158 50 40 JKGB CC[C@@H](C)n1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c2ccccc21 408937458 GPCGSAOVQKRKFK-NUXKUQQDSA-N 474.608 7.142 50 40 JKGB O=C(N/N=C\c1cc(Br)ccc1OCc1ccccc1)c1cc2cc(Cl)ccc2o1 409018214 RFVIDTXTSZJJIF-ZMFRSBBQSA-N 483.749 6.192 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)c1cc(-c2ccccc2)nc2ccccc12 409045930 QBCAOCIBDFMPNB-BIZUNTBRSA-N 475.523 6.384 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC)c(OC)c2)ccc1OCc1ccccc1 409324909 WICYEQYYOYHEPT-NTFVMDSBSA-N 482.964 5.489 50 40 JKGB Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccc(F)cc3c2-c2ccccc2)cc1 409398235 RVULSIFRFDDHQC-UHFFFAOYSA-N 491.522 6.266 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@H]1c1ccccc1C(F)(F)F 985560 NBTDWEGBGICBKT-HNNXBMFYSA-N 451.235 5.620 50 40 JKGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(C)cc1 1888432 QGQUJNCKRJHLAB-JIVYGXRASA-N 461.370 5.291 50 40 JKGB N#C/C(=C\Nc1ccc(Br)cc1F)c1nc(-c2ccc3ccccc3c2)cs1 11853126 AMIXWHOWUOJGEK-SFQUDFHCSA-N 450.336 6.841 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1nc2ccccc2s1 12576992 KGXIJBKQKVFMBW-CXUHLZMHSA-N 471.796 7.900 50 40 JKGB C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1)c1ccc(Cl)c(Cl)c1 13582795 SPPPAMLJODLNIB-RHANQZHGSA-N 497.451 6.332 50 40 JKGB N#C/C(=C/c1ccc(Br)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 13756029 HYESVTLRRKDQGN-RGEXLXHISA-N 459.368 7.429 50 40 JKGB Cc1ccc(N2C(=O)[C@H](Cc3ccc(F)cc3)S/C2=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 13778353 CPRQTXPMMXTATF-GPSDDGMOSA-N 475.520 5.338 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 20197247 SNYPTVVSYMBKSL-JFLMPSFJSA-N 457.357 6.125 50 40 JKGB N#Cc1cccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2Br)c1 20761062 MSBBNQUVHDRXLV-MUFRIFMGSA-N 484.353 5.817 50 40 JKGB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(-c4cc(Cl)ccc4[N+](=O)[O-])o2)C(C#N)=C(N)O3)cc1 22709936 CJJHKEXBMWOFKT-HXUWFJFHSA-N 473.876 5.425 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 33349221 NOQVCZZNIZSMED-RWPZCVJISA-N 479.964 5.137 50 40 JKGB O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cc2cc(Br)ccc2o1 33351953 RIMDAIDUJWDMAD-JJFYIABZSA-N 454.236 5.127 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OS(=O)(=O)c3ccc4ccccc4c3)c2)cc1 33642867 LHRWSDJCMPBNDK-HAHDFKILSA-N 468.534 5.462 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccncc2)cc(Cl)c1OCc1c(Cl)cccc1Cl 41078022 ZETYBYQCVMSFLT-KBKYJPHKSA-N 464.736 5.393 50 40 JKGB COc1ccc(OCCn2cc(/C=C(C#N)/C(O)=N/c3nc4ccccc4s3)c3ccccc32)cc1 41120702 GHNMCVXMRZBWGG-KNTRCKAVSA-N 494.576 6.534 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)c(C)n1-c1ccccc1C(F)(F)F 58912843 WNLRNQDDHACTSZ-IPPBACCNSA-N 470.495 5.325 50 40 JKGB COc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1Cl 58913562 FDOJAHUBMLKDFK-KBKYJPHKSA-N 493.778 5.152 50 40 JKGB N#CC(=C/c1cn(-c2ccccc2)nc1-c1cccs1)/C(O)=N/c1cc2c(cc1[N+](=O)[O-])OCCO2 96669674 LPMLAAXFBOAGLM-WJDWOHSUSA-N 499.508 5.475 50 40 JKGB N#C/C(=C\Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2ccc(Br)cc2)cs1 100843752 HDMQLPLUCWVWGE-FMIVXFBMSA-N 484.728 7.221 50 40 JKGB Cc1ccc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4ccc(OCc5ccc(Cl)cc5)cc4)c3C)nc2c1 107645746 LBFSKNLMIIZHHY-JLPGSUDCSA-N 493.010 7.575 50 40 JKGB C#CCOc1c(Br)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1Br 107867310 CAXGBQSTCKJSDF-AUWJEWJLSA-N 462.097 5.196 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1cccc(Cl)c1 408599206 PYXNYJHMAMVNHL-XKZIYDEJSA-N 474.785 7.899 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(Cl)cc1Cl 408602613 CTVMZMNZCJZSGC-LJQANCHMSA-N 471.369 5.079 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1C#N 408733882 BYQOGLXNEIIQSQ-CIAFOILYSA-N 457.917 5.653 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(/N=N/c3ccccc3)ccc2O)c(Cl)c1 408741512 QDINGXWUOORZKY-HOEVZMQCSA-N 471.948 6.632 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408743492 APBKZEJJZKXFOI-YVLHZVERSA-N 498.322 6.035 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccccc1Cl 408759718 KHFRARCUZGOGDZ-WQRHYEAKSA-N 497.776 6.236 50 40 JKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 408777518 BDSSXNJKANMXLF-KQWNVCNZSA-N 466.968 7.235 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCc1ccc(Cl)cc1Cl 408786938 YCXMOBDGLCTUTK-ULPWCQAASA-N 497.300 6.364 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Cl)cc1 408786943 YGJJQGLOLOAJDH-HMAPJEAMSA-N 460.961 6.480 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2C#N)cc1 408793094 NILNKCJSCDCSHM-CIAFOILYSA-N 472.342 5.754 50 40 JKGB O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 408842407 JWKPSYQOZLSSLM-UHFFFAOYSA-N 484.364 5.535 50 40 JKGB COc1cccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1 408872804 JANOKWODSHTESO-ZMFRSBBQSA-N 459.329 5.354 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408895448 MVMUCMJRVVTQDE-KPKJPENVSA-N 462.676 6.361 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2cn(Cc3ccccc3C#N)c3ccccc23)ccc1Br 408904908 QGIWHORVJPDQES-MUXKCCDJSA-N 486.373 5.788 50 40 JKGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)c1 408935575 GCQZOLUBWPHVRE-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(C#N)cc2F)c2ccccc2n1Cc1ccc(Br)cc1 408968347 VTEDQVRXXFCMQY-IPPBACCNSA-N 489.348 5.535 50 40 JKGB Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1 409046800 MHIWCGDFWRDDLO-SRZZPIQSSA-N 465.380 7.043 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409049514 VZFFUHXOADPGQN-XSFVSMFZSA-N 489.959 5.610 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1 409071727 RZVSYYUDJORALG-SFQUDFHCSA-N 487.364 5.615 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCc4ccc(C)cc4)c(Cl)c3)cc2c1 409186877 IZXJHQUCRQRQOT-NUJZUDFISA-N 497.378 6.790 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccccc4Cl)c(OCC)c3)cc2c1 409187051 LJXPMWDFBPAJHJ-MWLSYYOVSA-N 492.959 6.227 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 409200072 GNLSWEVZHFWXEN-WQRHYEAKSA-N 469.722 6.654 50 40 JKGB Cc1c(/C=N/NC(=O)CSc2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 409211440 NUZDAXWBUWRVCA-CCVNUDIWSA-N 482.436 6.547 50 40 JKGB N#CC1=C(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)NC(=O)C[C@@H]1c1ccccc1 409313675 QORYPZMPCFUTQP-CQSZACIVSA-N 465.884 5.069 50 40 JKGB O=C(CNc1cccc2ccccc12)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12 409392880 SSWHSHDHDNCTNQ-ALQBTCKLSA-N 482.587 6.558 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(C(=O)O)cc1 2785282 XGKVFUOTVYEPLE-PDGQHHTCSA-N 464.319 5.101 50 40 JKGB N#C/C(=C\c1cccc2ccccc12)S(=O)(=O)c1cc(Br)ccc1Br 3588756 XSNAECZJRIXJEF-MHWRWJLKSA-N 477.177 5.703 50 40 JKGB CSc1ccc(/C=C(\C#N)S(=O)(=O)c2cc(Br)ccc2Br)cc1 3588783 BQEBQOVKTJHMIZ-RIYZIHGNSA-N 473.211 5.272 50 40 JKGB CC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccccc1F)N2 4063757 RQWJLQMHPALCFV-QIEDNPPQSA-N 496.991 6.975 50 40 JKGB CCOc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)ccc1OCc1ccccc1 6600630 ACUGDIZZPXETHA-WPWMEQJKSA-N 469.006 5.950 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cn(Cc2ccc(C)cc2)c2ccccc12 8812698 GVSIZWIBHAYTCG-MZJWZYIUSA-N 476.374 5.533 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)C(=O)NC1CCCCC1 9262399 ONYSNYSFAJCHAA-LDADJPATSA-N 473.798 6.037 50 40 JKGB COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)Cc1cccc3ccccc13)oc1ccccc12 12362380 RHWIAIJUVDWYAZ-FDAWAROLSA-N 479.536 5.811 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)c3cc(C)n(C4CCCC4)c3C)c2C)cc1 12558994 POQYDNNXYWDJQV-LFVJCYFKSA-N 469.585 6.204 50 40 JKGB CCCCc1ccc(NC(=O)/C(C#N)=C/c2cn(CCC#N)nc2-c2ccc(OC)cc2)cc1 16412174 KEKVNQOKLKQUQU-OQKWZONESA-N 453.546 5.361 50 40 JKGB CCCOc1ccc([C@@H]2[C@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 19851747 KRSXPVNJGBGZTK-FZOAFFARSA-N 458.606 5.740 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c(C)n1-c1ccccc1Br 20241461 SXSQHINNEKUHSU-VBYICHLGSA-N 470.436 5.629 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1 20764826 ZKXGNAPJAFXKJS-RWPZCVJISA-N 487.383 6.134 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2O)c(C(=O)OCC)c1C 35377544 MTMMTZSJQVSUSI-AWNIVKPZSA-N 496.368 5.141 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(Cl)c2)=C(C#N)[C@@H]1c1ccco1 100435662 MYMDUMYRULQKOB-JOCHJYFZSA-N 483.977 5.039 50 40 JKGB CCCCCCCCCC[C@@H](Br)C(=O)c1cc(C)cc(Br)c1OC(C)=O 100931366 RWBKJUKBQSIVQY-GOSISDBHSA-N 490.276 7.160 50 40 JKGB CCO[P@@](=O)(c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)oc1NCc1ccccc1 102580583 SBOMSOJJRPVFLQ-XIFFEERXSA-N 463.430 5.127 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cccc(F)c1 207049944 PQFYLCRSJBGDBC-YBFXNURJSA-N 484.449 6.368 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 209482837 RFOJPWMFXFFRNR-DJKKODMXSA-N 458.772 7.607 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 408567887 GQSXQCIAOKJJPP-UVHMKAGCSA-N 492.544 5.973 50 40 JKGB CC[C@@H](C)Oc1c(I)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC 408568763 KUNYDIUKTCHIIB-AISSWFOISA-N 491.304 5.557 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1c(C)cc(C)cc1C 408734058 CNBFEGRICSTIPN-LPYMAVHISA-N 474.988 6.707 50 40 JKGB CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccc(C)cc3)c2-c2ccccc2)cc1 408742516 PLRHAXSFMIAJCK-PPFNPFNJSA-N 499.614 7.282 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1cccc2ccccc12 408763542 PNZKYXJTMOKOGB-UXHLAJHPSA-N 468.553 5.898 50 40 JKGB CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl 408793574 PNJRTACZVFJQBE-KGENOOAVSA-N 490.943 5.407 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1cccc(C)c1 408794018 HCARNBSDNLCMMV-WSDLNYQXSA-N 460.961 6.399 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 408807975 PLIZYPLDOHUFIQ-YBFXNURJSA-N 485.798 7.334 50 40 JKGB N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)C(=O)Nc1cccc(Cl)c1Cl 408844990 DTSUAGZBCVWHHD-RAXLEYEMSA-N 462.130 6.562 50 40 JKGB O=C(N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc(O)c1 408848951 SXISYDKIUHVGTA-FBHDLOMBSA-N 451.729 5.316 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408879534 GUVLEHZBGMINOA-KKMKTNMSSA-N 493.774 5.764 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(OCc2ccccc2Cl)c1 408889346 CTFZSYBCWCLARI-LDADJPATSA-N 453.325 6.127 50 40 JKGB CCCCCCOc1ccccc1/C=N/NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 408890009 MMZUCLZZZXNYLW-NJZRLIGZSA-N 480.693 7.029 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2c(C)n(Cc3cccc(F)c3)c3ccccc23)c(C)c1 408906517 CHMXNPPYTZUOEI-FDAWAROLSA-N 471.576 5.927 50 40 JKGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 409251400 PZJZEVRJKMCYNE-ZSOIEALJSA-N 479.252 5.034 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2C)cc1 409269687 LQGYSLSUSPDWSZ-MOSHPQCFSA-N 489.959 5.529 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2Cl)c(C)c1 409270276 OOZSOFLVSWQVEM-LPYMAVHISA-N 473.960 5.198 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1OC 409317584 QLBSYEDMAHBQNM-QRQIAZFYSA-N 462.546 5.144 50 40 JKGB COc1ccc(-c2ccc(/C=C(/C#N)c3ccc(I)cc3)o2)c([N+](=O)[O-])c1 409371486 GFQYCQBEYRXDOC-UVTDQMKNSA-N 472.238 5.532 50 40 JKGB O=C(COc1cccc(Cl)c1)N/N=C/c1ccccc1OCc1cccc(Br)c1 3167346 ULFZDZHHONERTD-DHRITJCHSA-N 473.754 5.211 50 40 JKGB COc1ccc2nc(/C(C#N)=C/c3cc(Cl)c(OCc4ccccc4F)c(OC)c3)[nH]c2c1 9263539 OHHSGSCUPBWHJI-RQZCQDPDSA-N 463.896 6.016 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc(Br)c1O 9441397 JHCDEVZQICHYJY-DELQEKLWSA-N 486.391 5.040 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 10476025 UOTTTWOHWIFONF-STBIYBPSSA-N 480.992 5.718 50 40 JKGB CC/C(=N\NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc(O)cc1 12463342 UQCUHKSOAROSAE-NJNXFGOHSA-N 494.667 5.712 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2C)c1 12600630 VUQXJWMCXARHNR-LFVJCYFKSA-N 473.020 5.620 50 40 JKGB Cc1c(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc2n1Cc1cccc(Cl)c1 13595774 FMOADEKBKXYVIK-RWPZCVJISA-N 494.820 6.107 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2N)cc(Cl)c1OCc1ccc(Cl)cc1Cl 14408888 ALZMDIIHEGIYAZ-LUOAPIJWSA-N 478.763 5.581 50 40 JKGB CCC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 15423055 WHMWRZKNJHYMOP-WWKNUYBVSA-N 461.444 5.163 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(-c2ccc(F)cc2)cs1 16669815 FZNPKCRFWROEMM-NTEUORMPSA-N 451.866 6.835 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@@H]1c1cccs1 20028759 RYTMKUCVCYXOKY-JOCHJYFZSA-N 479.627 5.162 50 40 JKGB COc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(F)cc2)N3)cc1 58917480 KXEMCOGBGPSCDE-XLTMQUNDSA-N 455.533 5.815 50 40 JKGB Cc1cccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3c4ccccc4cc4ccccc34)s2)c1 59498651 XCRFVUBDYJWXCQ-LQKURTRISA-N 479.565 5.098 50 40 JKGB CC1(C)CC[C@]2(C(=O)NN)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 96113536 APYOKISKLZLBOK-YUOZJKDKSA-N 486.741 5.110 50 40 JKGB biogenic O=C(OC(=O)C12C[C@H]3CC(C[C@@H](C3)C1)C2(Cl)Cl)C12C[C@@H]3CC(C[C@@H](C3)C1)C2(Cl)Cl 100744158 DEZAZONUZUZECG-QYXXVYOESA-N 480.259 6.057 50 40 JKGB CCOC(=O)c1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(O)CCCC3=N2)cc1 102593651 XCRYMDCHDPEZNF-JOCHJYFZSA-N 477.542 5.098 50 40 JKGB COc1cc2c(OC)cc1[C@H](C)[C@H](C)c1ccc(cc1)[C@H](Br)[C@@H]2Br 104429879 IXOJPPZTKGLJHW-BKMURAPUSA-N 454.202 6.497 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1cccc(C)c1 109030155 SWLZXJZUHKZKEB-STBIYBPSSA-N 454.526 5.508 50 40 JKGB CC1(C)OB(c2cnc(Cl)nc2NC2CCC(O[Si](C)(C)C(C)(C)C)CC2)OC1(C)C 265540615 KCWJSZPHESHXPC-UHFFFAOYSA-N 467.923 5.174 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc(Cl)cc1Cl 408578764 AQECWCWDXZCBFK-VIZOYTHASA-N 483.609 8.597 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 408580545 CFYOBFZJXLJVPS-FYJGNVAPSA-N 476.960 6.137 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)Cn1cnc2ccccc21 408691524 BWOVQOLXUTTXIS-ODLFYWEKSA-N 469.342 5.857 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c(Cl)c1 408741349 PHFNGUJFNPJZRX-WKULSOCRSA-N 479.411 6.572 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1 408743478 ALIGYPHOYKWRJN-HMAPJEAMSA-N 498.966 6.635 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(C)n1-c1ccccc1 408782724 IWEOXGREBBIGJG-FOKLQQMPSA-N 491.183 5.089 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 408796764 PVMVZRVUARQBDA-YBFXNURJSA-N 485.798 7.334 50 40 JKGB COc1cc(/C=N/NC(=O)/C=C/c2ccc(F)cc2)cc(Br)c1OCc1ccccc1 408864260 UWFFBZGRVVIEAG-BQZGYUKESA-N 483.337 5.339 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(Cl)c2)cc1 408867157 JDDGGIPTORVLQG-FYJGNVAPSA-N 462.908 5.792 50 40 JKGB Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 408901042 ZLXWJSKHZAYUGU-VXLYETTFSA-N 485.798 7.388 50 40 JKGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1C 408909410 GZTWBPUFSFAOAQ-MUFRIFMGSA-N 468.557 5.272 50 40 JKGB CC[C@H](C)Oc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 409251880 QUXMOGITIWXNQB-PBTLCFMXSA-N 497.311 6.199 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1 855598 SZUQVDCEBDFDRL-FOKLQQMPSA-N 491.183 5.089 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 958961 UEUGDFXTPYACRT-KGENOOAVSA-N 479.536 6.832 50 40 JKGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1cccc([N+](=O)[O-])c1 1901612 MDISNGYANZODOB-FSJBWODESA-N 495.611 5.134 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)c1ccc([N+](=O)[O-])cc1 2847028 XFZLDIOPJDMEHX-DJKKODMXSA-N 494.732 6.526 50 40 JKGB N#CC1=CN(Cc2ccccc2)C=C(/C=N/n2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)C1 3164178 MAVWYNBFHHVGDX-PNQUVVCRSA-N 483.984 5.810 50 40 JKGB CCn1c(C)nc2cc(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)ccc21 3183498 MRZAHFKDJOFJSV-MUFRIFMGSA-N 466.520 5.120 50 40 JKGB COc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Br)c1OCCOc1ccccc1 4207632 JEUKVFJUWSMJCA-PCLIKHOPSA-N 484.350 5.071 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)ccc1OC(=O)c1ccccc1 8456298 RDLYPVILAFJTKW-OGLMXYFKSA-N 469.497 5.032 50 40 JKGB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3[nH]2)cc1Cl 8743575 MNDBLRFXVWVZPI-RGEXLXHISA-N 465.944 6.532 50 40 JKGB N#C/C(=C\Nc1ccccc1OC(F)(F)[C@@H](F)Cl)c1nc(-c2ccc(Cl)cc2)cs1 9057813 VUKLCTDMLNYOAW-YFPIXMDGSA-N 470.303 6.946 50 40 JKGB CCOc1ccc(N2CSC3=C(C#N)[C@H](c4c(OC)ccc5ccccc45)CC(=O)N3C2)cc1 9693492 YYBAJAJDDMVBOS-JOCHJYFZSA-N 471.582 5.467 50 40 JKGB CC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2Cl)=C(C#N)[C@@H]1c1ccc(Cl)cc1 9849231 IAJMCRNTRUZXTK-QFIPXVFZSA-N 472.397 5.650 50 40 JKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)cc1 9970897 WBSBXHWXRHQLMQ-WPHIWBHXSA-N 495.535 5.194 50 40 JKGB CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)cc1 12621457 YOOHSTLLVFLMGJ-CJLVFECKSA-N 476.605 7.248 50 40 JKGB Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(CC(C)(C)CC3=O)N2)c1 13066920 CXPKSRXITWGROV-QHCPKHFHSA-N 477.655 5.802 50 40 JKGB Cc1ccccc1OCC(=O)N/N=C/c1c(Br)c(C)n(-c2ccccc2C)c1C 20243713 RUHWDIVHSYTFGZ-DHRITJCHSA-N 454.368 5.003 50 40 JKGB N#C/C(=C\Nc1cccc(Cl)c1Cl)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 32077955 GOTJAWFJLCJBBM-NTCAYCPXSA-N 490.371 7.353 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1OC 33383564 KDKPPVPJUSDQTI-NMWGTECJSA-N 475.548 6.719 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC 33685425 GJUHFPRSJDQERE-QGOAFFKASA-N 461.389 6.897 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cccc(Cl)c1Cl 39884628 XYTRZTMKLAQEGR-DHZHZOJOSA-N 462.676 6.361 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 59272300 NUGILQSNNLXDSI-LICLKQGHSA-N 468.296 6.026 50 40 JKGB CCCCC/C=C\C[C@@H](Cl)[C@H](Cl)CCCCCCCC(=O)[C@H](C(=O)O)[C@H](O)C[N+](C)(C)C 100500844 WZOYZEOQYHNNJM-DHLZBMFPSA-O 495.552 5.796 50 40 JKGB CCCCCCCCCCCCCCCCCC[C@H]1C(Cl)=C(Cl)C(=O)C(=O)[C@@H]1Cl 101463447 SGDOMZCMJWILBP-PZJWPPBQSA-N 465.933 8.703 50 40 JKGB COc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccc(OC)cc3)C3=C(O)CC(C)(C)CC3=N2)cc1 102587291 GWWNBOWVFMSSCD-VWLOTQADSA-N 488.609 6.225 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OCc1ccccc1 209488764 CYBYIFRAKHWNDY-LPYMAVHISA-N 495.360 6.642 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)o2)cc1Br 408526525 CIZHTLNCJWYSST-LUOAPIJWSA-N 480.284 5.599 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1ccc(C)cc1 408581109 UQQUUYYZAAJDNB-RGVLZGJSSA-N 468.778 7.063 50 40 JKGB COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)o2)c1 408759537 GQPJEEWNZFNIJD-YBEGLDIGSA-N 465.303 5.350 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1cccc(C)c1 408783308 MJQNAGVNFABUFJ-MTJSOVHGSA-N 453.380 5.497 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1cccc(C)c1 408796891 QLXMQNSBFFBEBO-LPYMAVHISA-N 460.961 6.480 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc2c(c1)OCO2 408816889 ZHQYMMOEGJWMEN-YBFXNURJSA-N 460.461 5.078 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Br)cc3)c(C)c2)c1 408850209 IFPVBQHFJMUNDX-OEAKJJBVSA-N 489.413 6.807 50 40 JKGB C=CCOc1cccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 408861092 MRWQOZQUAWSKBP-DFKUXCBWSA-N 467.613 5.470 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1Cc1cccc(F)c1 408870388 VBTLXMIVSBWARR-DJKKODMXSA-N 483.370 6.976 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Br)cc1)C(=O)Nc1ccc(Cl)cc1 408883681 VZVMZAXFEMLQIS-QGOAFFKASA-N 467.750 6.227 50 40 JKGB O=C(N/N=C/c1cccc(OC(=O)c2cccc3ccccc23)c1)c1ccc(Cl)c(Cl)c1 408897452 XAMHBMRJRCNDRO-RWPZCVJISA-N 463.320 6.130 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(OCc2cc(C)cc(C)c2)c1 408899130 ZJEGEIXBUNEHIT-WSDLNYQXSA-N 460.961 6.399 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc2n1Cc1ccccc1F 408952511 OBBOBCDPVPKVKB-KQWNVCNZSA-N 476.555 5.884 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(C)cc4)c(OCC)c3)cc2c1 409190624 TYSDFJAUZQNFRT-RHANQZHGSA-N 472.541 5.882 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 409235107 AKGJGFVDIFNREY-FXONECCMSA-N 497.551 5.695 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 409385712 JQJJKXDMTUJIPP-CCVNUDIWSA-N 472.372 5.533 50 40 JKGB Cc1cc(C)c([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)c1COc1ccc(Cl)cc1 647861 KPFOHQFZBKZRHU-YIXXDRMTSA-N 483.015 6.438 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CC(C)(C)C3)ccc1O 714573 BUQFFPOMYFHFAO-JOCHJYFZSA-N 483.490 5.360 50 40 JKGB CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1 1240789 NOCFFNWLBSGIRL-RCCKNPSSSA-N 452.514 5.143 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)(F)[C@H](F)Cl)n2)cc1OC 1296572 WFOKUJZDEADHCB-KVDXNUTJSA-N 495.910 6.310 50 40 JKGB Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3C)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 1887955 RSJUMUKSVXJTMQ-NLTRVXJZSA-N 453.567 5.368 50 40 JKGB Cc1ccc(C(O)(C(=O)NN(C(=O)c2ccccc2)c2ccc(F)cc2)c2ccc(C)cc2)cc1 2323943 UGYOTMSNCAVKAC-UHFFFAOYSA-N 468.528 5.057 50 40 JKGB COc1cc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)ccc1OC(=O)c1cccc(F)c1 3102458 ZDMXDZSMXJYJRG-WKULSOCRSA-N 478.520 5.014 50 40 JKGB N#C/C(=C/Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 11853140 YAHIVVZFLPLSCS-XFXZXTDPSA-N 450.829 6.367 50 40 JKGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)Nc1cccc2ncccc12 13137802 XJQYWLYKUHFPOX-LTGZKZEYSA-N 481.515 6.379 50 40 JKGB CC(=O)Oc1ccc(/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 13659269 WGDVQBJBTGSIOZ-PXNMLYILSA-N 493.338 5.668 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C 16162441 CJVUUQCXAVCEIG-MOHJPFBDSA-N 454.574 5.039 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(-c3ccccc3)nc3c(C)cccn23)cc1 16742535 OIQSVVOQOIHGRD-LTGZKZEYSA-N 450.498 5.032 50 40 JKGB CC1=C(C#N)C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 16806570 UQGCKHNKENJGAI-LTKMBJGESA-N 457.313 5.025 50 40 JKGB N#C/C(C(=O)N1CCCCCC1)=C1/S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 33423717 XUAYCJACQMRCOM-IVYNLYIOSA-N 466.006 5.169 50 40 JKGB CC[C@@H](C)Oc1ccccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1 33450595 ZDELXAQVUVCOOD-BXIPXKNPSA-N 485.584 6.207 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 58871659 OYXKAQHPUZSYRG-SSDVNMTOSA-N 472.389 5.561 50 40 JKGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 58894686 DLAXKBUUDZAXKK-ZOODIOSSSA-N 455.558 5.052 50 40 JKGB C/C(=N\NC(=O)CSCc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 58916698 YESAHRSLQKOLII-HBWOEIDISA-N 467.638 6.287 50 40 JKGB C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)C(=O)Nc1cccc2ccccc12 101157445 QKEDRQCKXNEXGE-BIZUNTBRSA-N 479.540 5.043 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 108262438 OLPAJBFPSXYTAZ-IWIPYMOSSA-N 467.500 6.785 50 40 JKGB O=C(COc1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 408526422 ANUQWJDGIDPUGQ-DHRITJCHSA-N 473.754 5.211 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)c1ccc(C(=O)O)cc1 408541231 FIQNAZKOOPJUBN-WQRHYEAKSA-N 450.853 5.259 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)[nH]c2cc1C 408543041 NCZLOLZGQTXQOM-YBFXNURJSA-N 492.804 7.239 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccccc1Br 408544892 YIQIVNLTASDUQE-WQRHYEAKSA-N 464.319 5.101 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2-c2cccc3ccccc23)c1 408724484 LDDCXSODZHRCSX-RDRPBHBLSA-N 475.508 5.673 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC 408761289 DETHROKUUQNFOC-MDWZMJQESA-N 484.177 6.099 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OCc1ccccc1C#N 408793210 NWRHMBOQXSQFIZ-YDZHTSKRSA-N 483.955 6.073 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)c(C)c1 408804244 DSGBGHNOWGBIQW-XQNSMLJCSA-N 477.520 6.490 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 408806647 ARFXXELHBYDVQX-JAIQZWGSSA-N 480.923 5.299 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1c(C)ccc2ccccc12 408811647 OBNKPBWLNBXSIB-YZSQISJMSA-N 490.603 7.288 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1 408836262 ZUWGITRDPCSMLQ-HMMYKYKNSA-N 477.358 5.972 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(C)c1OCc1ccc(Cl)cc1Cl 408849613 XPFWINMBJNMFDO-IPBVOBEMSA-N 496.221 7.260 50 40 JKGB Cc1cc(C)cc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1 408888778 AMYMQRYLVPTHQE-LFVJCYFKSA-N 480.995 7.543 50 40 JKGB Cc1ccc(NCC(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1C 409081052 FXZPVRMJARFFOX-LGJNPRDNSA-N 468.966 5.578 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2F)c(Br)c1)c1ccc(Cl)cc1 409192116 AMAJCWQHYAQTPX-BRJLIKDPSA-N 461.718 5.585 50 40 JKGB CCCCc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)cc1 409208335 ASFLDKKHOKAQSR-JVWAILMASA-N 454.039 6.333 50 40 JKGB C=C(/C(C#N)=C/c1ccc(C(C)C)cc1)N(Cc1ccc(Cl)cc1Cl)c1ccccc1N 409337328 ZKOIMWHUXUZDDL-OEAKJJBVSA-N 462.424 7.826 50 40 JKGB CCCCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc4c(c3)OCO4)c3ccccc3n2)c1 2109730 HTAWOGQTPVAUNT-STBIYBPSSA-N 467.525 5.573 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C/c1nn(Cc2c(Cl)cccc2Cl)cc1-c1ccccc1 2300744 MUOKJRLNIIEZNE-IPPBACCNSA-N 481.358 5.737 50 40 JKGB O=C(N/N=C/c1cn(Cc2c(F)cccc2Cl)nc1-c1ccccc1)c1ccccc1Cl 2750164 CBQFIRQNFQGDEC-XODNFHPESA-N 467.331 5.808 50 40 JKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1 8763833 ZYCWRQNOMHHEPV-XQNSMLJCSA-N 459.615 6.547 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1C 13922328 YJVLKVWONOYFHT-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C(\Cc1ccccc1)c1ccc(-c2ccccc2)cc1 15135111 HSMAKNRUSOEBKQ-QVAGMWBUSA-N 481.983 5.500 50 40 JKGB CC1=NN(c2ccccc2)C(=O)/C1=C1/SS/C(=C2/C(=O)N(c3ccccc3)N=C2C)S1 17106320 CQKSKRWFRHZLTN-KSTNYAOJSA-N 464.597 5.383 50 40 JKGB N#CC1=C2SCN(Cc3ccccc3)CN2CN(Cc2ccccc2)[C@H]1c1ccccc1Cl 20348071 AREDSBAOXMKATF-SANMLTNESA-N 473.045 6.056 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccccc1 59483962 YYGUYGMMJODRBJ-BKUYFWCQSA-N 491.385 6.281 50 40 JKGB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C5(CBr)OCCO5)[C@@]4(C)CC[C@@H]32)C1 118914641 MSDUUFXAHQPGOH-CBUBZBNCSA-N 481.471 5.635 50 40 JKGB CC(=O)N/N=C1/CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1(C)C 118921274 RCFQMFZAFWOVMT-DGXSRQPHSA-N 468.770 8.156 50 40 JKGB CCCCCCCCCCCCC(=O)NNC(=O)c1c(O)n(CCC)c2ccccc2c1=O 136329991 IDVJTBWYULDKKC-UHFFFAOYSA-N 457.615 5.189 50 40 JKGB COc1c(Br)cc(Br)cc1/C=C(\C#N)c1nc2cc(C)c(C)cc2[nH]1 408543030 MZYHGTGMBRRRDS-AWNIVKPZSA-N 461.157 5.778 50 40 JKGB CC[C@H](C)Oc1c(I)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OC 408550370 GOKXBTBHOZLSEY-SJJOQSKNSA-N 483.349 6.694 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1cccc(F)c1 408676183 GPYMTBHPZDPBCD-MUFRIFMGSA-N 481.955 5.431 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)Cn1cnc2ccccc21 408691871 VCNQCAYGZMSQDJ-WQRHYEAKSA-N 478.777 6.638 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1 408738141 QHHUPZYNVASXMT-WYMPLXKRSA-N 460.759 5.039 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 408744484 LLCRMKYSAPFVAV-ZDLGFXPLSA-N 499.767 6.675 50 40 JKGB C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC 408795296 LXYZHCOIUSXTIQ-RIYZIHGNSA-N 494.716 5.064 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408797617 SCVVBOVJAQNIQE-DEDYPNTBSA-N 495.362 6.295 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c(C)n1-c1ccc(I)cc1 408801426 SXNRLRWDJVDFRG-VRAWXEIOSA-N 487.385 5.301 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 408804990 IDLUFOLGTHWPAQ-KKJJZKEWSA-N 481.379 6.365 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)c(OC)cc1Cl 408821883 ABSPPMHVGKJXBO-RGVLZGJSSA-N 492.959 5.799 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 408881958 PEKZRHZZKSLJDK-LUOAPIJWSA-N 498.193 6.652 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc(F)c1)C(=O)Nc1ccc(F)cc1 408896587 OOJFTDFBZLKJAK-GZTJUZNOSA-N 469.285 5.852 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)C(=O)NCCc1c[nH]c2ccccc12 408949436 IBKTVPRCFWHHAJ-BOPFTXTBSA-N 494.776 6.110 50 40 JKGB O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)s1)Nc1cccc(Br)c1 409017794 HOEDUFYSJQLPKY-NHDPSOOVSA-N 466.813 6.471 50 40 JKGB CC(C)COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 409043522 RMCZZGDQKRZHKK-VGOFMYFVSA-N 494.183 5.498 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Br)c2)c1C 409065550 TWRZUEJAIKWDIX-LDADJPATSA-N 450.336 5.411 50 40 JKGB Cc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1 409220393 YOYCYLFTUSBDTF-MWLSYYOVSA-N 491.975 5.616 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3Br)o2)c(Br)c1 409246406 HZDDAPABPCTJBR-SSDVNMTOSA-N 462.141 5.544 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 409254741 IMUYNIONMQLENG-HMAPJEAMSA-N 469.541 5.184 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)c1 409256578 MCXCRTANTCRWIH-YBFXNURJSA-N 494.378 6.173 50 40 JKGB CCOc1ccc([C@@H]2C(C#N)=C(SCc3ccccc3Cl)NC(=O)[C@@H]2C(=O)OC)cc1Cl 409322265 LLXZFRSZFWKNBW-WOJBJXKFSA-N 491.396 5.063 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(Br)cc1OCc1ccccc1 661056 JWOIKECWELOYEQ-QHCPKHFHSA-N 495.373 5.242 50 40 JKGB N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 1790638 FVDFSJBWUVLYMJ-JSIHEXFSSA-N 494.403 6.058 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc3ccc4ccccc4c3[nH]2)cc1COc1ccccc1F 2434675 QYYGZJYHUWSIBK-OKCVXOCRSA-N 467.500 5.812 50 40 JKGB CCOP(=S)(OCC)Oc1ccc2c(C)c(Cc3ccc(Cl)c(Cl)c3)c(=O)oc2c1 2565046 ZGLJLEYILCHRDP-UHFFFAOYSA-N 487.341 6.675 50 40 JKGB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC(C)C)c(OC)c1 2670129 MPKZKSGPOHEESX-DEDYPNTBSA-N 490.581 5.933 50 40 JKGB N#C/C(C(=O)NCc1ccccc1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 2888309 QXDIIYINWPFALC-YMGIJWJESA-N 491.975 5.222 50 40 JKGB N#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)Nc1ccccc1Cl 3304518 UGBROADCMGBXRL-BJMVGYQFSA-N 456.521 5.116 50 40 JKGB C[C@H]1C[C@@H]2C(=CCCC2(C)C)C[C@@H]1/C=N/NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1 15134584 VBYMCZWEOZFNSW-QGFLRWAQSA-N 471.645 5.445 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1)C(=O)Nc1cccc(Br)c1 23224768 UZLKZDBBLQFYJA-YBFXNURJSA-N 477.314 5.272 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccccc1 23724075 JUULRQQSPHUUEN-PXLXIMEGSA-N 469.541 5.265 50 40 JKGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 33773768 OGHSHZQJHJGEOC-WKIKZPBSSA-N 481.339 5.597 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Br)c2)c1 36076639 PCVDOPHUDPVPCG-DEDYPNTBSA-N 477.358 5.972 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(CSc2ccccc2)cc1 58928023 MNSQZYGHVVVZON-UXHLAJHPSA-N 487.024 6.975 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1ccccc1F 58928312 DVLFSKXSKFLQSI-OKCVXOCRSA-N 492.019 6.943 50 40 JKGB C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 59336449 MADVCLWNRFSDBT-ZROIWOOFSA-N 451.737 6.156 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)n1 59503024 RQQDROUDRHVFKL-JFLMPSFJSA-N 456.571 5.068 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1ccc(F)cc1)c1cc2cc(Br)ccc2o1 83315526 DGOKLCKVCLCWRP-ZMFRSBBQSA-N 467.294 5.677 50 40 JKGB CCN1c2cc(C)c(/C=N/NC(=O)c3cccc(I)c3)cc2C(C)=CC1(C)C 208523203 YDWPWLSOQFWVKU-AFUMVMLFSA-N 487.385 5.385 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(Cl)c(Cl)c1 209664186 POEKKVJQSPUMPR-YVLHZVERSA-N 495.435 6.759 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2cccc3ccccc23)cc1Cl 408539831 JYYIJSZOEXYKER-MIXAMLLLSA-N 471.428 7.650 50 40 JKGB O=C(NNc1cccc(OCc2c(Cl)cccc2Cl)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408601203 ALOIQOAWSXPWTK-OAHLLOKOSA-N 488.346 5.208 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3c(O)ccc4ccccc34)cc2-c2cccc3ccccc23)cc1 408727766 XMZKZLWUVSIQTQ-FMFFXOCNSA-N 496.570 6.624 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 408744534 YJORXNQXESDCBR-WQRHYEAKSA-N 453.325 6.127 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(OC)c1OCc1ccccc1C#N 408797670 SKOXSWXNJJZOIP-CVKSISIWSA-N 477.564 6.037 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1cccc2ccccc12 408801644 VCNIZIREIZZMFY-BJXZZZENSA-N 468.597 6.419 50 40 JKGB CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 408812408 MWTUFZBLULTQFU-NGWPFTMJSA-N 492.211 5.612 50 40 JKGB Cc1cc(/C=C(\C#N)c2ccccc2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 408817058 MRVKEUDUXLRZNW-HKOYGPOVSA-N 477.633 7.351 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1Cc1ccccc1Br 408883406 ULZOCMBZZWUMDO-YBFXNURJSA-N 495.804 6.556 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)c1OCc1cccc(Cl)c1 408892371 ASEPXVFECRUGGG-CPNJWEJPSA-N 467.352 6.435 50 40 JKGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)n1 408977609 JECWZYNNCLUYOT-KGENOOAVSA-N 486.369 6.242 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cc(-c2ccccc2)nc2ccccc12 409032941 DXLIMMTYJRMIKJ-MWLSYYOVSA-N 496.910 6.487 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1OCc1ccccc1F 409064150 BULSBPVMCNTNCN-HZHRSRAPSA-N 456.517 5.996 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccco2)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 409084057 WHTGAUHEVPGOTG-YSURURNPSA-N 498.160 5.700 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3c(OCc4ccc(C)cc4)ccc4ccccc34)cc2c1 409186578 DZJJHTIFZGQHBP-MNBJERMJSA-N 478.548 6.636 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccccc4F)c(OC)c3)cc2c1 409187280 OIHCOJRXUSOKGE-MBTHVWNTSA-N 462.477 5.322 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)cc2c1 409187558 RWPMIHKYOAXKKA-ZCTHSVRISA-N 477.564 6.670 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1 409222107 BDOLVDOLQLMDCS-LDADJPATSA-N 480.351 5.865 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCC(=O)Nc1ccccc1 409389524 BUWAUGOJRNORCR-ODLFYWEKSA-N 495.348 6.069 50 40 JKGB CC(C)NC(=O)OCCN=C1c2ccccc2[C@@H](Br)[C@H](Br)c2ccccc21 1643742 GEDQZXAQISYCPQ-RTBURBONSA-N 494.227 5.544 50 40 JKGB COC(=O)[C@@H]1C(O)=NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1Cl 2310037 SFCFUTRSZUZGKJ-SFTDATJTSA-N 498.004 5.215 50 40 JKGB CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cn(C)c3ccccc23)sc2c1CCCC2 2670726 DWXCSIHDVNAYNO-SAPNQHFASA-N 461.587 5.621 50 40 JKGB N#C/C(=C\c1c(-c2ccc(Cl)cc2Cl)nc2sc3c(n12)CCCC3)c1cccc(Cl)c1 8782137 UHEBWDZUYBHRLX-RVDMUPIBSA-N 484.839 7.966 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1ccc(Cl)cc1Cl 9292544 DZHIMZFMTSNFOD-QFIPXVFZSA-N 489.362 6.181 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OCC(=O)Nc1c(C)cc(C)cc1C 9540367 KPRYXEMTKWOKHA-HYARGMPZSA-N 480.568 5.589 50 40 JKGB N#CSc1ccc(NC(=O)COC(=O)c2sccc2-c2ccccc2)c(Br)c1 10986327 VRUXEQORLCBCLN-UHFFFAOYSA-N 473.373 5.546 50 40 JKGB Cc1cccc(OCCOc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)NCc2ccccc2)c1 13893071 DRSFLFWEWHVMEC-FYJGNVAPSA-N 481.379 5.983 50 40 JKGB O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1cccs1)c1cccs1 15229362 XEWJFGPJCDSFJL-UHFFFAOYSA-N 468.650 7.114 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1OCc1cccc2ccccc12 15231190 NNKSTCKCVHCUDY-ZCTHSVRISA-N 460.533 6.345 50 40 JKGB C/C(=N\NC(=O)c1c(O)ccc2ccccc12)c1ccc(NC(=O)c2ccccc2Cl)cc1 20158602 KOTYSFJGKQWCQI-MUFRIFMGSA-N 457.917 5.605 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 23411427 WSVJVGAZIKFDFN-VXLYETTFSA-N 483.369 6.037 50 40 JKGB O=C(N/N=C/c1ccc(F)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 33354391 KQBLPNWJCAAANH-IMUCOVGGSA-N 484.187 5.015 50 40 JKGB CCOc1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccc(/C=N\NC(=O)c3ccncc3)cc2)cc1 34864512 VJLGECCEYYZFGA-YJQDUFNZSA-N 489.579 5.600 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)cc4Cl)ccc32)cc1OC 38658450 VWHPAALJKQKGMU-QHCPKHFHSA-N 497.334 5.448 50 40 JKGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)c1nc2ccccc2[nH]1 50568211 BELYNYYXWJAMJQ-RGEXLXHISA-N 455.477 5.586 50 40 JKGB O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccncc1 59427558 JBIHJLWVQGQODZ-UZWMFBFFSA-N 476.967 6.624 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1 108006973 OWXXQYHEQZUNFY-PDGQHHTCSA-N 463.896 5.351 50 40 JKGB CCOc1cc(C(=O)Cl)cc(I)c1OCc1ccc(Cl)cc1 217712536 ZNGKAMLVJKCUQI-UHFFFAOYSA-N 451.087 5.301 50 40 JKGB Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Br)c3)nn2-c2ccccc2)cc1 408726000 RGWPSKOKHJCIPJ-WGOQTCKBSA-N 459.347 5.374 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2Br)cc1 408747622 QNPIWWVPGTUKDC-NHDPSOOVSA-N 495.804 6.213 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1 408807821 HVMWEZBVKKJJNK-PXLXIMEGSA-N 452.941 6.926 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OCc2ccc(F)cc2)c1 408809962 HWDFQQKMSQVCON-LICLKQGHSA-N 471.315 6.266 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Br)cc3)c(C)c2)c1C 408859539 XYAGIRFLRSYDNV-OEAKJJBVSA-N 489.413 6.807 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)ccc1OCc1ccc(Br)cc1 408877807 YQZHIPYXTHXWSL-CGIWXCMESA-N 485.422 5.703 50 40 JKGB O=C(N/N=C\c1ccc(Cl)c(Cl)c1)c1sc2cc(Cl)cc(Cl)c2c1Cl 408973488 STMXGKWUQWJHIT-HCDFXORVSA-N 452.577 6.932 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1cccc2ccccc12 408985364 WPHJJVIVQUQIKC-ONUIUJJFSA-N 493.006 7.655 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OC)c1OS(=O)(=O)c1ccccc1 409071873 SPWQXRKJSGMPBZ-HMMYKYKNSA-N 472.522 5.397 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1cccc(Br)c1 409185187 KEELQXUPINUPIS-BHGWPJFGSA-N 465.178 5.927 50 40 JKGB O=C(N/N=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 409194756 QVBFTBHCUVJQEG-WYMPLXKRSA-N 488.725 5.354 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C 409250044 PJXVEIXEBFZZTR-YVLHZVERSA-N 473.882 6.321 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Cl 409256974 OMVJXQZBCHRDAL-MOSHPQCFSA-N 459.933 5.520 50 40 JKGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=S)Nc3ccc(Cl)cc3Cl)cc2)n1 3242192 ZZIJVKQQLCTKJL-UHFFFAOYSA-N 492.457 5.324 50 40 JKGB C/C(=N\NC(=O)c1sc2cc(C)ccc2c1Cl)c1cccc(NC(=O)c2ccco2)c1 4155233 WSWMKKYIFKUGSC-VULFUBBASA-N 451.935 5.862 50 40 JKGB CN(c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1cccc2ccccc12)C1CCCCC1 8809618 JAYXNPANCAYVJH-WPWMEQJKSA-N 460.534 5.046 50 40 JKGB N#C/C(=C\Nc1ccccc1OC(F)(F)[C@H](F)Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 9008821 NZAUATXKYUDEPT-QHSLDKKCSA-N 480.855 6.201 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)Nc1ccc(Cl)cc1 9934529 GTESQQVDCNIUKV-QGOAFFKASA-N 467.750 6.227 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)NCc2ccco2)c2ccccc2n1Cc1ccc(Br)cc1 12285200 SRGFYQKIAXIUGG-CPNJWEJPSA-N 474.358 5.577 50 40 JKGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 12566940 WRXCFXMRSBVGBI-MDWZMJQESA-N 462.687 5.121 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1 16701007 UWDDSTWCMKPZNZ-NCELDCMTSA-N 476.580 5.942 50 40 JKGB C=CCc1cccc(/C=N/NC(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)c1O 20161179 QOPARXOWRAPWDQ-NDZAJKAJSA-N 450.542 5.192 50 40 JKGB C=CCOc1ccccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1 33450607 FTBFBJPSHDGJDQ-MIXAMLLLSA-N 469.541 5.595 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c(C)n1-c1cccc(Cl)c1Cl 58913700 QDNOUYGBGZHEIP-CCVNUDIWSA-N 479.367 5.643 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1OCc1cccc(Cl)c1 59117316 HWBZXTLRTKWUHM-SFQUDFHCSA-N 487.770 6.780 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)cc1C 59232932 LQAULUSFHRDHPD-KGENOOAVSA-N 461.359 6.191 50 40 JKGB Cc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)N=C3CCCC(O)=C32)o1 102527346 ILSZGCQINCIUIQ-OAQYLSRUSA-N 498.402 5.992 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 107657675 RHXAEMLEABGBKU-OKCVXOCRSA-N 467.956 6.269 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1cccc(C)c1 107721796 OQFVOWDMYKXGNK-ODLFYWEKSA-N 452.323 6.548 50 40 JKGB CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)cc1 408567413 MWZFEGUPRXTBHK-AJBULDERSA-N 450.582 6.409 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c(C)n1-c1cccc2ccccc12 408691477 AAIJWFIJIXRNKJ-RWPZCVJISA-N 475.390 5.572 50 40 JKGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(OC(=O)c3ccco3)cc2)cc(C(C)(C)C)c1O 408754954 PGJUYPWNQVDNNC-UXHLAJHPSA-N 490.600 5.882 50 40 JKGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(Br)c1 408765419 VWGMRGPBKNNBAP-MOSHPQCFSA-N 475.342 5.776 50 40 JKGB CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 408773401 QDCHWSKNHIFRGB-CHHVJCJISA-N 451.723 5.252 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc2ccccc2c1 408778668 WAHRWNCIDKJLRS-UUYOSTAYSA-N 493.401 6.012 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(C)cc1 408793007 CQCDFEHEHBHKPS-LPYMAVHISA-N 460.961 6.480 50 40 JKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2c(C)cc(C)cc2C)c(OC)c1 408807897 PCJRIACDQUZGTB-OEAKJJBVSA-N 470.569 6.062 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)cc1 408817455 WICJCYCSYUTSQN-FBHDLOMBSA-N 492.362 5.676 50 40 JKGB CCOc1ccc(NC(=O)N/N=C/c2cc(C)c(OCc3ccc(Cl)c(Cl)c3)c(C)c2)cc1 408847747 OLVMIGBTLRMUFC-CCVNUDIWSA-N 486.399 6.744 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Br)cc1)C(=O)Nc1ccc(Br)cc1 408878476 BCZIGLNNVWROLY-XMHGGMMESA-N 496.202 6.348 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1ccc(Cl)cc1 408882665 PZBCXMIEGUOUTF-HMMYKYKNSA-N 452.897 6.258 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1C#N 408949425 IBIICHQGPYZXSF-MYYYXRDXSA-N 490.563 5.283 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccc(F)cc1 409047720 QFRJVCWAPCTEGN-SFQUDFHCSA-N 494.320 5.151 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409049089 WDEOAEMMQGQMTC-PXLXIMEGSA-N 469.541 5.265 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(Cl)c(Cl)c1 409124315 BGOMTHHBGLSWSK-XMMPIXPASA-N 483.351 5.895 50 40 JKGB N#C[C@@H](C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1 409203797 ZIFSSLKWKSXJSH-UJEJHLKSSA-N 498.380 5.939 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 409240466 KVBRXBQJTOHYQP-WCEBZYJUSA-N 481.379 6.365 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 409392707 NFYLRWPYDIESJO-JCMHNJIXSA-N 469.541 7.357 50 40 JKGB Cc1c(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)[nH]c2ccc([N+](=O)[O-])cc12 1957821 OBHJQVPRROFOIO-MZJWZYIUSA-N 451.486 5.151 50 40 JKGB CCn1c2ccccc2c2cc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)ccc21 2083046 SUXFWXDMTRBYDG-UZWMFBFFSA-N 468.560 6.794 50 40 JKGB CCO[P@](=O)(c1ccccc1)c1nc(-c2ccc(Cl)cc2)oc1NCc1ccccc1 3109779 JAXVGIGJAZXXLE-WJOKGBTCSA-N 452.878 5.873 50 40 JKGB COc1ccc(C(=O)N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1OC 3231892 RJGGXHVAIBFCIE-ZTKZIYFRSA-N 451.526 5.938 50 40 JKGB Cc1c(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1 3395733 QYSCXSVYVINWPB-KGENOOAVSA-N 478.932 5.610 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cccc(C(=O)O)c1 8781238 OMOWIIBOMCWSBJ-WQRHYEAKSA-N 464.319 5.101 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2c(OCc3cccc(C#N)c3)ccc3ccccc23)c1 8811210 QKNYGLJIGGGLMF-OCSSWDANSA-N 465.509 5.072 50 40 JKGB COc1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 9353357 PXXUUXHRVDLZPE-SDNWHVSQSA-N 480.343 5.664 50 40 JKGB Cc1cc(C(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)c(C)n1C1CCCC1 12560411 PAZWMTCIKVUIGN-XMHGGMMESA-N 463.375 7.032 50 40 JKGB COc1cccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)c1 14134341 SAAZUYOKJXTMPE-KKMKTNMSSA-N 493.774 6.007 50 40 JKGB CCOc1ccc(-c2cc(C(=O)NN=C3CCN(Cc4ccccc4)CC3)c3ccccc3n2)cc1 20177009 QMVGIRNIDLZHLB-UHFFFAOYSA-N 478.596 5.682 50 40 JKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC 33675703 GOALVXNNSYBCON-RGEXLXHISA-N 484.943 5.756 50 40 JKGB CCSC1=C(C#N)[C@H](c2ccccc2Cl)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 33927751 HFKBYHDNFZKCMU-FCEWJHQRSA-N 472.941 5.327 50 40 JKGB N#C/C(=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)C(=O)Nc1ccc(SC(F)F)cc1 35238105 QMLDRRRBFZBFHZ-TYIAYESWSA-N 493.579 5.853 50 40 JKGB N#C/C(C(=O)NCc1ccco1)=C1/S[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 100988947 BJXIWIZOIBIGIK-AXVPLRHPSA-N 498.391 5.329 50 40 JKGB CCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)F 103528466 SIVWJGNPLZALFN-HNNXBMFYSA-N 456.321 8.079 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1ccc2ccccc2c1 107618905 GHRGNYSCVPGHMK-UCQKPKSFSA-N 458.330 7.385 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OC 408540904 WVPZJICOWNHXDZ-CPNJWEJPSA-N 471.395 6.271 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1cccc2ccccc12 408542323 IOHRDTOYKKCNKO-BUVRLJJBSA-N 459.549 6.985 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)C(=O)Nc1sc2c(c1C#N)CCCC2 408551525 DMOSKKFKYVJFGS-XDHOZWIPSA-N 484.537 5.531 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1OC 408583271 TUHDGFUHQJHEQS-RGVLZGJSSA-N 492.959 5.756 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1 408583597 VUJMZXGERIPDDL-YBFXNURJSA-N 468.322 6.249 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccc(N2CCCC2)cc1 408678015 WWUKJFQMNKDTCR-LQKURTRISA-N 468.384 5.937 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408748046 XOJPOEQUQIEEMJ-YBEGLDIGSA-N 498.764 5.754 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1 408795540 MPENGTQZVQUHLP-UDWIEESQSA-N 491.341 5.580 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(Cl)c2)c1C 408798097 UUSDWUXRQJGHBD-AFUMVMLFSA-N 466.968 7.235 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(Br)c2)c(C)c1 408815693 TWOBPRZKZNOOMT-YDZHTSKRSA-N 489.413 6.807 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1Cl 408817012 KLZUNVZWFBCYPY-BHGWPJFGSA-N 491.287 5.179 50 40 JKGB COc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 408841227 DKKHYHNTZYLGIU-VULFUBBASA-N 462.962 5.980 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(C)c1OCc1ccc(Br)cc1 408842966 CMONECSIXDPACX-LGJNPRDNSA-N 471.782 6.062 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)c1 408889042 AZVUXOQLGIWZCT-XQNSMLJCSA-N 450.513 6.720 50 40 JKGB N#C/C(=C\c1c(OCc2cccc(F)c2)ccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 408890208 PRQUMJUMGMEEOX-XSFVSMFZSA-N 467.456 6.012 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2cn(Cc3cccc(C)c3)c3ccccc23)c(C)c1 408906412 BJAMWZRJNIZVLV-UXHLAJHPSA-N 453.586 5.788 50 40 JKGB CC[C@@H](C)Oc1c(Br)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC 408965028 FMMTYVQXQYWOSH-BTQGWNRHSA-N 473.289 5.418 50 40 JKGB Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408995310 LZNXYILXULEJRV-YUMHPJSZSA-N 499.483 5.467 50 40 JKGB CCCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1cccc(Br)c1 409018154 XUDFOAYXYZVWJD-MYYYXRDXSA-N 455.352 5.310 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Cl)c1OCc1cccc(F)c1 409053217 MKKPQKKMMYFNPG-KKMKTNMSSA-N 461.320 5.792 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1OCc1ccc(C)cc1 409071348 JKHHBCLEUCHMOB-WGOQTCKBSA-N 466.581 6.474 50 40 JKGB COc1cc(/C=N\NC(=O)c2cccc(C)c2)c(Br)cc1OCc1ccccc1F 409084109 PFFWXWATXIIANS-ZMFRSBBQSA-N 471.326 5.248 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc(Br)c1OCc1ccccc1 409379438 XOITVILBBQUADH-MTJSOVHGSA-N 494.389 5.522 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)NC3=C2C(=O)CC(C)(C)C3)cc1 715899 XXTUHRKXONKEEC-DEOSSOPVSA-N 473.598 5.132 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@H]1c1ccccc1OCc1ccc(F)cc1 985631 GTFSJKKTTCXLBT-SANMLTNESA-N 488.522 6.166 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 2329337 GMIAEOOYPGAMPI-YMGIJWJESA-N 473.985 5.713 50 40 JKGB COc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(Br)c1 3083347 ZPWVVHCDEYCXEV-YSURURNPSA-N 498.160 5.554 50 40 JKGB Clc1ccc2nc(N/N=C/c3ccc(OCCBr)cc3)nc(-c3ccccc3)c2c1 8387198 UDPBJXZSOUTYHP-CVKSISIWSA-N 481.781 6.170 50 40 JKGB CC1(C)CC2=NC(SCC(=O)c3ccccc3)=C(C#N)[C@@H](c3ccc(Cl)cc3)C2=C(O)C1 9076454 CEAMRCVDRZCKGR-HSZRJFAPSA-N 463.002 6.862 50 40 JKGB CCOc1ccc(N/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 9353387 KJRPLFSSMBRCBD-SDXDJHTJSA-N 465.534 6.445 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccc(C)cc1 9438975 WUJMATNHQMVECE-CPNJWEJPSA-N 455.539 5.695 50 40 JKGB CCOc1ccc(OCc2ccc(C(=O)N/N=C/C(c3ccccc3)c3ccccc3)cc2)cc1 12621644 AOUHZUHIGFJOBD-NJZRLIGZSA-N 464.565 6.212 50 40 JKGB O=C(N/N=C/c1c(F)c(F)c(F)c(F)c1F)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 12957463 CZPLPJWBSYSDTM-JBQSXSRFSA-N 489.227 6.032 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1c[nH]c2ccc(OCc3ccccc3)cc12 16158246 CWJQKCOYTVQITF-MZJWZYIUSA-N 456.527 5.131 50 40 JKGB Cc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c(C)n1-c1cccc(Cl)c1 28217172 BVGIWOUFZDTTMR-OKCVXOCRSA-N 486.040 6.701 50 40 JKGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 44965603 BRFHIFOWCZOSBP-LQKURTRISA-N 477.561 6.098 50 40 JKGB O=C(CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31)N/N=C\c1ccccc1F 57061286 USKCAKINUZECDZ-IGGWZVJDSA-N 472.608 5.671 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(F)cc1 59336039 PQPIRVVUSCYSLU-PDGQHHTCSA-N 485.342 6.656 50 40 JKGB CC(C)(C)c1ccc(C(C)(C)C)c2c1OP(c1ccccc1)(c1ccccc1)(c1ccccc1)O2 97949473 QYFVSBNKXWIURV-UHFFFAOYSA-N 482.604 7.413 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 103869827 UZRRYMAWPZISQJ-UWVJOHFNSA-N 469.932 5.454 50 40 JKGB COc1ccc([C@H](Nc2cccc([N+](=O)[O-])c2)P(=O)(c2ccccc2)c2ccccc2)cc1 104822563 JJAQLXBYFGDKSU-AREMUKBSSA-N 458.454 5.728 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1nc2ccccc2o1 109017158 RFWLPFGGAULZFI-OQLLNIDSSA-N 498.753 6.870 50 40 JKGB C[C@@H](CCC(=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 253617603 XNTZTQJAAZNSGD-WULWZSEKSA-N 453.461 6.089 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1-c1ccc(N(C)C)cc1 408568936 LNZYECWEYYAJEK-JVWAILMASA-N 494.686 5.168 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408583824 XCURPGMEIGLFJE-FYJGNVAPSA-N 460.486 5.654 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCc1ccc(Br)cc1 408586406 BRYMDTHJUAFNLB-VULFUBBASA-N 487.781 5.844 50 40 JKGB Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)Nc4ccc(Cl)c(C)c4)cc3)[nH]c2cc1C 408607531 SWWNDJGXOOVTAK-DEDYPNTBSA-N 470.960 6.223 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1 408711726 HTABHPOLECBEJL-LQKURTRISA-N 490.401 5.544 50 40 JKGB COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2C)n1 408724144 GIXLEJYLZCWVOF-RUMWWMSVSA-N 486.575 6.287 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1cccc2ccccc12 408745838 VWUOQKZVZQSWSB-UQQQWYQISA-N 462.549 6.672 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2C#N)cc1C 408787960 HUCRCRYNIOVGJU-WSDLNYQXSA-N 486.369 6.062 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408789276 IGRJBVYLUKNKQX-RQZCQDPDSA-N 496.292 5.621 50 40 JKGB C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OCC 408796773 PWMGCKJJYOXILW-CXUHLZMHSA-N 473.754 5.367 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(I)c1OC(C)C 408810303 LXXOIFIRHISGPA-LICLKQGHSA-N 490.341 5.331 50 40 JKGB COCCCNC(=O)/C(C#N)=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12 408811083 QNNMMYPEJDQENO-HMMYKYKNSA-N 479.374 5.241 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(C)c(C)c2)c1 408811466 VQFPYUBYNCRNRA-YDZHTSKRSA-N 489.413 6.807 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OCc1ccccc1C#N 408814969 QVQPDXFTVIQTGF-UCQKPKSFSA-N 467.500 5.559 50 40 JKGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Br 408843835 HFRCHPPMIWKWGE-SSDVNMTOSA-N 478.140 5.287 50 40 JKGB CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1OCC 408861047 LRMQCMYMZJWQKO-WEMUVCOSSA-N 499.655 5.703 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)NC1CCCCC1 408864523 WTAYRFVWKLPYQR-NDENLUEZSA-N 464.363 5.256 50 40 JKGB Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 408869809 ROKPMTYEXIDZLM-RGVLZGJSSA-N 469.799 7.400 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Cc1ccccc1F 408885187 YFUFNXFHQQITPS-VCHYOVAHSA-N 455.316 6.278 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408922944 HTISGDBKWBPNCV-XSFVSMFZSA-N 483.911 6.526 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1Cl 408981396 AVOIZSZYCPBHQB-YVLHZVERSA-N 458.776 6.908 50 40 JKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(Sc3nnc(C)s3)c([N+](=O)[O-])c2)c1 408992471 SAXHWZYGBURVHU-CXUHLZMHSA-N 451.533 5.068 50 40 JKGB Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2c3ccccc3cc3ccccc23)c1 409004196 WWDCKSUWXNZJQV-ZCTHSVRISA-N 457.533 6.318 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12 409216340 JZYYDUADKWNEPV-WKULSOCRSA-N 478.976 6.454 50 40 JKGB COc1ccc(Cl)cc1C(=O)Oc1ccc(Cl)cc1/C=N\NC(=O)c1cccc2ccccc12 409226195 PPUNVCPCSCWNHS-FDVSRXAVSA-N 493.346 6.138 50 40 JKGB O=C(Oc1c(/C=N\NC(=O)c2cccc3ccccc23)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 409227455 YPVJIQXNLUEJNK-DICXZTSXSA-N 473.872 5.385 50 40 JKGB O=C(COc1cccc2ccccc12)N/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 409230379 CLUAOVQZBKGGCC-OCSSWDANSA-N 451.501 5.511 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)c1 409262326 HSXMSKZRDWHEEN-WOJGMQOQSA-N 480.351 5.865 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCC(=O)Nc1ccccc1 409392091 KVNXSSQSYWNSJD-ZDLGFXPLSA-N 481.321 5.678 50 40 JKGB O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(ccc3ccccc32)c1-c1ccccc1)c1ccco1 409397455 KBVYLUFZRCAWRY-UHFFFAOYSA-N 499.526 6.564 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc(Cl)c1OCc1ccccc1 2162336 IGOIIXIMTWVRLS-KBVAKVRCSA-N 498.966 6.981 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)sc(C(=O)OC)c1C 2220336 PGORMOCBRVBKRT-PTNGSMBKSA-N 483.571 5.129 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)O)cc1 2855230 ZXQIDGGKRAIFAJ-XDHOZWIPSA-N 462.889 5.171 50 40 JKGB O=C(CCCl)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(Br)cc1 4179991 DAILWPXTTLCYIE-QGZVFWFLSA-N 470.592 5.518 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1 8860880 UPHZUELPGCQPNJ-XMHGGMMESA-N 461.315 5.522 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccco1 12467031 WBUAZKPFLOUAPX-HYARGMPZSA-N 454.602 5.209 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1 16412085 QCLGXWDONBCHIW-XMHGGMMESA-N 475.932 5.302 50 40 JKGB CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 59336618 MDDUOVFTKZZUEZ-UVTDQMKNSA-N 467.194 6.148 50 40 JKGB COc1ccc(Cl)cc1CN(Cc1cc(Cl)ccc1OC)C[C@H](CCl)n1cccn1 69583057 LZPJKJGUROGAHK-FQEVSTJZSA-N 468.812 5.689 50 40 JKGB CCCCCCCCCCCCCCCCCC(=O)N[C@@H](N=C=S)C(Cl)(Cl)Cl 102130039 ISAQTLCSAYUBJH-HXUWFJFHSA-N 471.966 8.163 50 40 JKGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N=C2CCCC(O)=C21 102522131 WMVAYSBUSJMNQC-RUZDIDTESA-N 473.598 6.035 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(SCc3ccc(C)cc3)N=C3CCCC(O)=C32)cc(OC)c1OC 102868390 HOIZRULIVRGYOK-XMMPIXPASA-N 476.598 6.224 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cn(C)c4ccccc34)o2)cc1 107579293 JHKCHAGBUOMVPL-MWLSYYOVSA-N 466.541 5.522 50 40 JKGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)cc2Br)cc1 107655816 HPPJGGGOJBFIBW-JAIQZWGSSA-N 491.341 5.580 50 40 JKGB COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)ccc1OCc1ccccc1Cl 107693873 YGQDZUYTMHNFPT-LDADJPATSA-N 464.999 7.194 50 40 JKGB O=C(N/N=C/[C@@H]1C[C@H]2C[C@H]1[C@@H]1[C@@H]2[C@H]2C[C@H]1[C@]1(F)C(F)(F)C(F)(F)[C@@]21F)c1ccc(Cl)cc1 257346785 MQLAXXGENLFXSE-XQAFVQDOSA-N 476.848 5.295 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)c3ccc(Cl)cc3Cl)c2)cc1Cl 408579180 DGTBCBUZEFTSGD-RQZCQDPDSA-N 471.771 7.037 50 40 JKGB CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)Cc3ccccc3)c2-c2ccccc2)cc1 408741671 KHMRRRJPIFGPOR-JGRMKTMXSA-N 499.614 6.903 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 408744518 LSWSIVBXKCBNOP-UNOMPAQXSA-N 467.352 6.517 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1 408748934 JFWKXTJOEGNIAH-AFUMVMLFSA-N 498.333 5.099 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 408759886 NKKOEQYHTYDCSI-QGOAFFKASA-N 480.351 5.865 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1cccc(F)c1 408788635 DZNUFNLTXQTAHJ-RQZCQDPDSA-N 471.315 6.266 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1C 408805352 AKBBYJAUWXAOIC-YZSQISJMSA-N 460.577 7.198 50 40 JKGB Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1 408813261 MRVMOIKYRCSTCC-HZHRSRAPSA-N 466.968 7.235 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OCC)c1OCc1cccc(C)c1 408814828 HVDQUSIGVBDHCR-JLPGSUDCSA-N 470.544 6.386 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408888578 XKVFCGWSHITROQ-FYJGNVAPSA-N 457.486 5.345 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)c1nn(-c2ccccc2)c(N)c1C#N 408980094 UPWOCEMPYXKNCU-DEDYPNTBSA-N 451.917 5.623 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccccc2)o1)C(=O)Nc1ccc2ccccc2c1 409002477 NRIJRLILTSLTTQ-AQTBWJFISA-N 475.367 6.892 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)c1ccccc1 409066304 BNZYDJKFAZFEEB-MHWRWJLKSA-N 464.757 6.479 50 40 JKGB Cc1ccc(COc2c(Cl)cc([C@@H]3C(C#N)=C(N)Oc4cc5c(cc43)OCO5)cc2Cl)cc1 409104197 GMTANVIXHPASCD-QHCPKHFHSA-N 481.335 5.828 50 40 JKGB C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2ccccc2)c1 409186064 WDGJPUCRPKHBMS-JFLMPSFJSA-N 456.329 5.165 50 40 JKGB CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/NC(=O)c2cccc(Cl)c2)nnc1-c1ccco1 409190701 PYZRESLRUKMZED-ZMOGYAJESA-N 496.936 5.035 50 40 JKGB CCOc1ccc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC(=O)[C@H]2C(=O)OC)cc1Cl 409309379 GJJKABZNLIPCHW-UXHICEINSA-N 491.396 5.063 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(F)c2)cc1OC 409337208 XGUIHFHCRZBZLX-MBTHVWNTSA-N 470.928 5.619 50 40 JKGB Cc1cc(C)c([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1CSc1ccc(Cl)cc1 651025 ZNGYNUWRUZPVOD-JYFHCDHNSA-N 485.056 6.843 50 40 JKGB CCOc1ccccc1N[C@@H](c1ccc(OC)cc1)P(=O)(c1ccccc1)c1ccccc1 2035075 MQPCULPBSNHQSD-MUUNZHRXSA-N 457.510 6.219 50 40 JKGB Cc1ccccc1/C=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1 2360384 LQPLGPMKZZABQY-ZMOGYAJESA-N 464.641 5.534 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(Br)cc2)c2ccccn2c1C(=O)c1ccccc1 3175086 SXQYCMSINZJXRV-CVKSISIWSA-N 460.331 5.005 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)c2ccc(Cl)cc2)cc1Br 3217511 MCHGXYCZTNKNIR-ZSOIEALJSA-N 453.561 6.494 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1 4780053 XYBDSWVWYGEJTA-JVWAILMASA-N 458.905 5.778 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Br)c1 9057330 UOKFIBSFBHGAQF-XDHOZWIPSA-N 492.329 5.790 50 40 JKGB CC1(C)CC2=NC(SCC(=O)c3ccccc3)=C(C#N)[C@H](c3ccc(Cl)cc3)C2=C(O)C1 9076250 CEAMRCVDRZCKGR-QHCPKHFHSA-N 463.002 6.862 50 40 JKGB COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)cc1 9282056 PHKVOPLOZPVGFI-JQIJEIRASA-N 452.495 5.169 50 40 JKGB O=C(CCCCCCCC(=O)N/N=C/c1ccc(Cl)cc1)N/N=C\c1ccc(Cl)cc1 31829192 VNHSYUIZQVLANZ-WVZLMVLXSA-N 461.393 5.325 50 40 JKGB C[C@H]1CCc2c(sc3nc(/C(C#N)=C\c4ccc(OCc5ccccc5)cc4)nc(O)c23)C1 33736015 QKIMKIKPQQVEQP-PNWWAVQQSA-N 453.567 6.165 50 40 JKGB CC(=C/c1ccccc1)/C=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1 34794720 WBNFWSNJGKAXBF-NPKAVDKISA-N 470.960 6.128 50 40 JKGB C/C(=N\NC(=O)CSc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 58916955 PEFLYMJYJIXXCV-ZYQPSKSTSA-N 453.611 6.146 50 40 JKGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccccc2CC)N=C2CCCC(O)=C21 102538519 AVTRPIUPMZJQOY-SANMLTNESA-N 487.625 6.289 50 40 JKGB COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)C3=C(O)CCCC3=N2)c1 104122333 SRPCQYFMRWPRAC-HSZRJFAPSA-N 463.534 5.476 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1OC 108981108 OBHOGPGABNRRGI-COEJQBHMSA-N 481.036 6.934 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC 408541265 YRIQNYTXJUCOSU-ZHZULCJRSA-N 489.443 7.677 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccccc1I 408599878 NMNKOIFTVZTJCV-CVKSISIWSA-N 499.396 5.760 50 40 JKGB N#C/C(=C/c1ccc(-c2cc(Cl)c(Br)c([N+](=O)[O-])c2)o1)C(=O)Nc1ccccc1 408746440 SRHIXCPNZRRYRM-JYRVWZFOSA-N 472.682 5.816 50 40 JKGB COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)COc4ccccc4C)cc3[C@@H]3C=CC[C@@H]32)cc1 408751554 XVHPKXZZYADHHN-JSLFIDHOSA-N 481.596 5.749 50 40 JKGB N#C/C(=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408763365 NDKRLOULJHXBRA-YBEGLDIGSA-N 471.727 6.412 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C(C)C)cc2)c2ccc(C)c(C)c2)cc1 408775674 RDQFDPFQYMRMDJ-OGLMXYFKSA-N 477.630 5.081 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(Cl)cc1Cl 408776815 ZNOHUNQWYQAHBY-UUASQNMZSA-N 498.204 5.775 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c1 408792286 AFZNUEBXYGSIIZ-RGVLZGJSSA-N 461.905 5.990 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1C 408796184 NKABQQZTEWEOLN-BUVRLJJBSA-N 466.968 7.235 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Br)cc1OCc1ccccc1F 408799383 YXVBCZTVMAMYTP-LICLKQGHSA-N 497.320 5.427 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)cc2Cl)cc1 408892488 ZVHZUXHBTPOFIW-LDADJPATSA-N 481.335 6.075 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1cc(C)cc(C)c1 408894670 IPTVFNVCYYWWNV-FSJBWODESA-N 474.988 6.707 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(C)c1 408908758 RUHCRHGHHHKIGT-STBIYBPSSA-N 480.992 5.718 50 40 JKGB N#C/C(=C/c1cccc(OCc2cccc(Cl)c2)c1)C(=O)Nc1ccc(Br)cc1 408941644 XMVXEDSOOYZCIJ-WQRHYEAKSA-N 467.750 6.227 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1 409044647 WJVFPJAADDANRF-CXUHLZMHSA-N 475.734 6.911 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1ccccc1 409226354 NCUXNIZOAGWDFZ-IWEBCOIVSA-N 469.343 6.496 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1 409259890 HEXVUHNTJZUXLU-ZHZULCJRSA-N 459.933 5.520 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 409362937 KNKQQFYLLLWCDO-OYKKKHCWSA-N 463.493 6.462 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(Br)c1OCc1cccc2ccccc12 409367634 GSCPSSABPXJTKI-CFRMEGHHSA-N 495.376 7.126 50 40 JKGB O=C(NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)Nc1ccc(Cl)cc1 3265197 ZLDJXQSFJGYYEI-UHFFFAOYSA-N 470.916 5.120 50 40 JKGB CCCCCc1ccc(-c2ccc([C@H](Cl)[C@H](Cl)C3CCC(CCCCC)CC3)cc2)cc1 8383586 GXPDMEOIZKZMPY-ABCGFHNMSA-N 473.572 10.360 50 40 JKGB Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NNC(=O)NC34CC5CC(CC(C5)C3)C4)o2)c1 8455913 DKTKWGIEDZMUGE-UHFFFAOYSA-N 465.594 5.203 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 8721616 RTEOUQDYTDLWER-ADTIMHKYSA-N 473.598 5.014 50 40 JKGB N#CC(=C\c1ccc(OC(=O)c2ccccc2)cc1)/C(O)=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F 9057499 RVADCHKJKZAKOK-SFQUDFHCSA-N 481.386 6.028 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1ccc(Cl)c(Cl)c1 9292673 FUQVHVXDJKEDRO-JOCHJYFZSA-N 489.362 6.181 50 40 JKGB COC(=O)N/N=C/c1cc(Br)c(OCc2c(Cl)cccc2Cl)c(OC)c1 9425554 VUNJNQKVMPZTJK-ODCIPOBUSA-N 462.127 5.033 50 40 JKGB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1 13081327 KDMKRGNPPQZPHG-AREMUKBSSA-N 498.608 5.603 50 40 JKGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccccc2CC)NC2=C1C(=O)CCC2 13174279 QKBZHGUDVPTULC-SANMLTNESA-N 487.625 5.449 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc3ccccc23)=C(C#N)[C@H]1c1ccccc1 20150275 GFQAGOOENLPPMP-HHHXNRCGSA-N 495.604 5.637 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)c2ccc3ccccc3c2)cc1 33711661 LMZGNGTXNBPUQI-MYYYXRDXSA-N 454.367 7.554 50 40 JKGB Cc1cc(/C=C(\C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc(I)cc1 34701641 AXGNPDGPBOCFJC-HZHRSRAPSA-N 474.345 6.916 50 40 JKGB Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1 58912694 VTRKGXGRHGTKJT-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1ccccc1F 59427546 SPQLTFNQSQJSKN-FMFFXOCNSA-N 493.969 7.368 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(Cl)cc1 59534368 VQMNTDBXVSZRLR-XDHOZWIPSA-N 452.963 5.603 50 40 JKGB COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)C3=C(O)CCCC3=N2)c1 100703116 QVFVEPJYXFYFOV-DEOSSOPVSA-N 459.571 5.645 50 40 JKGB Cc1cc(N(CCCl)CCCl)ccc1/C=N\c1cc(Br)cc(Br)c1 104089677 WLAHXRQDYPUMKK-FMCGGJTJSA-N 493.070 6.555 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3cccc(Cl)c3)N=C3CCCC(O)=C32)ccc1O 104148524 ATDIKSNJLRLGHU-HSZRJFAPSA-N 495.988 5.695 50 40 JKGB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C(Cl)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 118924981 IAZKUQHFBGEWGA-YATFVDHGSA-N 497.591 8.743 50 40 JKGB C=CCc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc(OCC)c1OCC 408568548 KJGNRPPEHMLNCU-WGOQTCKBSA-N 486.659 5.220 50 40 JKGB Cc1ccc(-n2cccc2/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1Cl 408570908 ZMAFQLDUNCSHJK-AFUMVMLFSA-N 472.035 5.447 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1C 408591964 WTNUFOVNFYYZMQ-AFUMVMLFSA-N 485.369 5.008 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1 408793583 FLQYGLPMMALGHL-RGVLZGJSSA-N 481.379 6.825 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OCC 408795422 LBNYHUOZBIDBSU-CXUHLZMHSA-N 473.754 5.367 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 408796415 AGFQGQCNGMOLLR-GZTJUZNOSA-N 484.781 6.064 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)Nc2ccccc2F)c2ccccc2n1Cc1ccc(Br)cc1 408806878 CBMGFDCJQAUJKD-XMHGGMMESA-N 488.360 6.445 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OC(C)C 408807986 LXLBASMIUXJWHN-OVCLIPMQSA-N 463.759 5.834 50 40 JKGB CCOc1ccc(Cl)cc1/C=N/NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 408824144 PSAAAWBSTRBXKD-TWKIEXGSSA-N 492.019 5.162 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1Cc1ccccc1Br 408868169 NRVDKKGRHBCCLI-DEDYPNTBSA-N 465.778 6.547 50 40 JKGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1C 408981824 CTXGHUBPAYUKRM-ZDLGFXPLSA-N 464.909 5.518 50 40 JKGB CC(C)COC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NN(c1ccccc1)c1ccccc1 409001391 ICQUOBQSUWQGPV-SANMLTNESA-N 470.573 5.331 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1 409043901 BIMNPLLKIAPADF-FYJGNVAPSA-N 473.960 5.828 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 409163375 QNYUUMBTGUOMLV-WWTGGXICSA-N 482.367 5.076 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)NCCCc1ccccc1 409237309 HWXUYKVLFNJVOD-KQWNVCNZSA-N 475.386 5.684 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(C)c2)cc1 409263477 MXOQSOFPFQLYER-MOSHPQCFSA-N 489.959 5.529 50 40 JKGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 409359424 OGFSSIRKPKVRIE-YSURURNPSA-N 467.150 5.578 50 40 JKGB COc1cc([C@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1c(Cl)cccc1Cl 409367682 IBSXQAHPRLUFKO-HXUWFJFHSA-N 476.429 5.924 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccccc1 409391776 JSBLNJQAADKDLW-JAIQZWGSSA-N 452.323 6.630 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC 693883 YEZOBMQYDQJXFB-FOKLQQMPSA-N 465.731 5.410 50 40 JKGB Cc1ccccc1N[C@H](C)C(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1 2100702 GLMVTVQTPRBKPQ-GTPWMTBTSA-N 466.379 5.287 50 40 JKGB O=C(/N=C(\C(Cl)Cl)N1CCSCC1)Nc1ccccc1Oc1ccc(Cl)cc1Cl 2148351 SFQHNCMXVQVHFS-XIEYBQDHSA-N 493.243 6.569 50 40 JKGB CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 2553458 XZIQLIJPMFLXFS-WOJGMQOQSA-N 486.424 6.765 50 40 JKGB C=CCc1cc(/C=N/NC(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccccc1C#N 8861410 VEKOOFKDZZYIMT-UXHLAJHPSA-N 468.557 5.729 50 40 JKGB CCOc1cc(/C=N/NC(=O)NC2CCCCC2)ccc1OCCOc1ccc([C@@H](C)CC)cc1 8984387 SARQAJXRCKPLNH-ZOPZMGNLSA-N 481.637 6.022 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3cc(Cl)cc(Cl)c3Cl)c2C)cc1 9259315 XHUPQAJHWJZVRZ-KKMKTNMSSA-N 494.806 5.982 50 40 JKGB COc1cc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)ccc1OCc1cccc2ccccc12 9347756 ULSQCQJGIHXWRR-UQHDODFHSA-N 450.538 5.681 50 40 JKGB C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)c1ccc(C(C)(C)C)cc1 13562652 RTQLNVVBRYEVEP-TWKHWXDSSA-N 457.574 5.698 50 40 JKGB Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4s3)c(Oc3ccc(C(C)(C)C)cc3)nc12 13776280 SQSYXAUVBCMNLE-KNTRCKAVSA-N 492.604 6.767 50 40 JKGB COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c1Oc1ncc(C(F)(F)F)cc1Cl 14007609 CUMVDXOFLCCVRN-LICLKQGHSA-N 494.878 5.893 50 40 JKGB CCC(=O)N/N=C(/C=C\c1cccc(O)c1)c1sc(Nc2ccc(C)cc2[N+](=O)[O-])nc1C 17210584 AYQGDCRHPBIPGC-CPDBTYIWSA-N 465.535 5.061 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccccc1 20348512 COCHFTVGAQBHKX-DEOSSOPVSA-N 494.016 5.446 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)c(C)n1-c1ccc(Br)cc1 28216442 QHIULYPCNVMVOD-ZZQPOVDQSA-N 456.409 5.488 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c2C)c1 28216916 PRYPFTAAWNHXMP-OCSSWDANSA-N 488.056 7.112 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(=O)N1CCOCC1 33337494 ZYEWBGYHLFEERS-CXUHLZMHSA-N 496.188 5.101 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 97994792 QIKVMRZNJXDTGV-KQWNVCNZSA-N 464.521 5.982 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408553464 ZGJVPRIDLPBGCV-CFRMEGHHSA-N 484.939 7.443 50 40 JKGB O=C(Cc1ccccc1)N/N=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408555210 WJPLDHQUQVMIRW-WKIKZPBSSA-N 490.774 5.357 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1Br 408583886 YGCKMXVKZBCPEI-OQLLNIDSSA-N 451.158 6.073 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1cccc2ccccc12 408721870 ARFLMDRQNQRULN-WKULSOCRSA-N 479.363 6.498 50 40 JKGB COc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Br 408734659 IDSUQDOSIQMQGZ-LFYBBSHMSA-N 484.575 5.728 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccccc1 408744079 WGTMTTDLXXPZSD-WQRHYEAKSA-N 467.750 6.227 50 40 JKGB COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccccc4O)cc3[C@@H]3C=CC[C@@H]32)cc1 408751527 TUAKRASIEKCMTK-GQBVAKBZSA-N 453.542 5.381 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 408754815 OIGBCVOWRGPMNM-HAHDFKILSA-N 497.392 7.035 50 40 JKGB C/C(=N\NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1 408788309 DPPBYDNYJHTASH-QUPMIFSKSA-N 491.657 5.337 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1F 408792497 AJNAYXLPZYOFFH-RGVLZGJSSA-N 464.924 6.229 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1 408794507 JIDOJDUPDKNPNI-RVDMUPIBSA-N 465.849 5.231 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(OCC)c2)cc1 408810556 JCBNHYWCRBQONL-LFVJCYFKSA-N 470.569 6.226 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(Br)cc2)cc1 408810631 UIIKXTPERXSQTK-CPNJWEJPSA-N 493.357 5.591 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3Br)ccc3ccccc23)cc1 408866864 JRLKZOYKFXQISE-HKOYGPOVSA-N 495.420 7.301 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1ccc(Cl)cc1Cl 408878740 AQTQJIPYCPECAP-LICLKQGHSA-N 497.334 5.825 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2)cc1 408889112 DSFKKSWPKCAYGP-HEHNFIMWSA-N 468.534 5.462 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccc(Cl)cc1Cl 409054683 VMBAFRVRUBPJFN-XODNFHPESA-N 491.802 6.697 50 40 JKGB Cc1[nH]nc2c1[C@@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c1)C(C#N)=C(N)O2 409138942 KGDCGSAVTQGTCS-IBGZPJMESA-N 461.736 5.476 50 40 JKGB C=CCOc1cc(Br)c(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1OCC 409187353 PIJYYBFIQFFHPK-QFEZKATASA-N 487.350 5.321 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 409228822 FRDXKKNUUOTYSO-WKIKZPBSSA-N 461.371 5.238 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1C 409248590 DXWJFSWYKJWJMB-DEDYPNTBSA-N 489.959 5.610 50 40 JKGB Cc1cc(Cl)ccc1OCc1cc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)sc1C 2735824 AJYUHSCOHJVWCX-YKSBVNFPSA-N 475.017 6.191 50 40 JKGB COc1cc([C@@H]2[C@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1ccccc1 2799773 OUUABTOZVPYXLW-ZXDNMGRFSA-N 492.623 6.140 50 40 JKGB O=C(NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccc(C(F)(F)F)cc1 3252453 UKEZBYSLCJTLRG-UHFFFAOYSA-N 469.850 5.649 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccc(C)cc1 4196413 CYTKHBJENNNMOV-RGVLZGJSSA-N 452.323 6.548 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 8812555 HTSBPLKVBSANGJ-DHRITJCHSA-N 473.754 5.454 50 40 JKGB CC(C)=NNC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 19956901 VNGFKGNTLOWETB-UHFFFAOYSA-N 469.994 5.170 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)c(C)c1 20194992 IVRQXSKQUWVRSM-VULFUBBASA-N 451.910 5.137 50 40 JKGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3cccc(C)c3)c2C)c1 20243645 SCSDNZARDUXIKW-UVHMKAGCSA-N 498.490 6.165 50 40 JKGB O=C(CCCCCCC(=O)N/N=C/c1ccc(Cl)s1)N/N=C/c1ccc(Cl)s1 20479920 GDPVCWUNGYIZGU-XHQRYOPUSA-N 459.424 5.057 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 20760561 TZUWCZGDJPQQQG-FOKLQQMPSA-N 475.730 5.182 50 40 JKGB O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 34863455 HWMZXMSOORHGLA-SSDVNMTOSA-N 457.920 5.971 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)cc(Cl)c1OCCOc1cccc(OC)c1 41108878 QMARYUPMDCFWTR-XDHOZWIPSA-N 496.947 5.021 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1c(Cl)cccc1Cl 59133361 SAEFCNBPBHRIAF-PDGQHHTCSA-N 467.352 6.435 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OCc4ccccc4C#N)cc3)c2C)cc1 59335458 SRIZPPNIPIGJEZ-PKAZHMFMSA-N 486.575 6.399 50 40 JKGB N#CC1=C(N)N2C(=C(C#N)[C@]13C(=O)N(Cc1ccccc1Cl)c1ccccc13)Sc1ccccc12 72422437 VCLMJNGLTPTWNU-HHHXNRCGSA-N 493.979 5.180 50 40 JKGB CCN1c2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2[C@@H](C)CC1(C)C 223538263 ICSIGGDDAKLXFG-OPAMSOAESA-N 468.395 6.071 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc2ccccc2c1 408549710 XLDZQTMENATQIC-QRVIBDJDSA-N 485.337 7.154 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccc(Cl)c(Cl)c1 408585112 AGTFRNZOMLTUEP-RQZCQDPDSA-N 472.202 8.367 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 408599623 XTLGHJXYFFEAKW-LGJNPRDNSA-N 488.327 5.643 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1 408691872 VGWCCUGKDSBHMN-BRJLIKDPSA-N 459.775 5.072 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1 408801715 VJHDWZAFXRVOBV-PXLXIMEGSA-N 452.941 6.926 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(C)c(C)c1 408816791 SJJIJFLCXAJYNP-YDZHTSKRSA-N 474.988 6.789 50 40 JKGB O=C(O)c1ccc(COc2ccc(Br)cc2/C=N\NC(=O)c2cc3ccccc3o2)cc1 408851107 IJBZTRAZGFRNQI-ZMFRSBBQSA-N 493.313 5.236 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1Cc1cccc(F)c1 408872788 IUXXUOSFVUKUAY-RGVLZGJSSA-N 492.934 5.801 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1ccccc1Cl 408888740 ZWSWUJZSGPQGEU-STBIYBPSSA-N 458.945 6.235 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)ccc1OCc1ccccc1Cl 408893356 FFCPNFBQKYQBCQ-XDHOZWIPSA-N 467.352 6.435 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(-c2ccccc2)cc1 408987143 AMUXICSJALYEMH-RHANQZHGSA-N 457.961 5.944 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1cccc2ccccc12 409105045 HZRUWBBSOATOFF-NDEPHWFRSA-N 478.504 5.374 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(F)cc4)c(OCC)c3)cc2c1 409187440 QKAWHUHCDMMJNL-MWLSYYOVSA-N 476.504 5.712 50 40 JKGB COc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 409197913 RUWVRHDQVGYVEZ-FUSDPXDGSA-N 468.340 5.338 50 40 JKGB Cc1cccc(NC(=O)Cn2cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c3ccccc32)c1 409211035 LVYDXIWUTFXXAX-CCVNUDIWSA-N 491.016 5.484 50 40 JKGB Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)cc2Br)c1 409242089 LRMKEWDVKFTOFD-CSMVZQPBSA-N 475.386 6.121 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1OCc1ccc(F)cc1 409248169 GNNRISJCTQZDPF-HBAFHOPNSA-N 470.544 5.926 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)cc2)cc1OCC 409332679 LNMFWBFFMDCGHP-QRQIAZFYSA-N 466.965 5.870 50 40 JKGB O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(F)cccc2c1-c1ccccc1)c1ccccc1 409396531 YWDKVFXCYLVDAR-UHFFFAOYSA-N 477.495 5.957 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1OCC(=O)Nc1cccc(C)c1 850105 GSOYEJOYIPBJIB-MUUNZHRXSA-N 491.547 5.393 50 40 JKGB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(C)cc2)N1 969396 KSWWONMWXYVMDY-SANMLTNESA-N 483.593 5.847 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c2[C@H]1c1ccc(Br)cc1 987133 ZVJYRUYLCSYWPE-NRFANRHFSA-N 475.390 6.105 50 40 JKGB CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1 2697880 KYHVYOKESJGXAT-QHCPKHFHSA-N 451.979 5.305 50 40 JKGB CCOc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(OCc5ccccc5)c4)CC(=O)N3C2)cc1 12251026 VHRYCTREJJBQIM-AREMUKBSSA-N 497.620 5.884 50 40 JKGB CCc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4c3ccc(Cl)c4C)C3=C2CC(C)(C)CC3=O)cc1 12413335 NPUJXNYGQWSWKG-NDEPHWFRSA-N 487.003 5.258 50 40 JKGB C/C(=N\NC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1 16136865 ACQARSSLXUSCSF-VFCFBJKWSA-N 493.629 5.083 50 40 JKGB Cc1ccc(N(CC(=O)N/N=C/c2cccc3ccccc23)S(=O)(=O)c2ccc(Cl)cc2)cc1 19926196 BHEHTKADOBSUKK-OGLMXYFKSA-N 492.000 5.147 50 40 JKGB Cc1ccc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3cccc(C)c3)c2C)cc1 20243627 CMEAMBIRKBEWCL-LGJNPRDNSA-N 484.463 5.857 50 40 JKGB CCCCCCOc1ccc(OCCOc2ccccc2/C=N/NC(=O)c2ccccc2)cc1 20582548 QQTSPVKGRILRHU-QUPMIFSKSA-N 460.574 5.867 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1cccc(Cl)c1Cl 58913291 XOCLNUQLRHFTMP-IPBVOBEMSA-N 497.304 5.509 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OC 59335985 DZJZZRXPDZYDHI-IZZDOVSWSA-N 456.123 5.319 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] 59473051 KYRSSOLBFLRTOO-ZMOGYAJESA-N 455.923 5.313 50 40 JKGB CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C[C@H](C)Cl)CC[C@]4(C)[C@H]3CC[C@]12C 70692338 QGDQJFKTMDHPQG-LFUKAHIESA-N 491.200 9.245 50 40 JKGB biogenic CCCCCCCCCCCCCCCCN1C=C/C(=C/C=C(\C#N)C(=O)OC)c2ccccc21 100167114 PSNQISXMZBYGEP-KKTFQPMKSA-N 476.705 8.508 50 40 JKGB CCc1ccc(NC(=O)CS/C(Nc2ccccc2)=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1 102937064 VMYTXOOOGZVAAD-RWEWTDSWSA-N 491.016 6.060 50 40 JKGB CC(=O)Nc1sc(/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)nc1-c1cccs1 102990322 UKDQOMSELZREIJ-LCYFTJDESA-N 486.405 7.461 50 40 JKGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2cc(C)ccc2C)N=C2CCCC(O)=C21 104115923 PPNIWHQYAMQLNH-SANMLTNESA-N 487.625 6.343 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1cccc(Cl)c1Cl 408544050 ULHGFPRUBYSGIY-YVLHZVERSA-N 454.313 5.645 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)c(OC(C)C)c(OC)c2)c(C#N)c1C 408547506 YNTHERSUDINYNO-FRKPEAEDSA-N 486.977 5.273 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1)c1ccc(Br)cc1 408579215 DTZIIJDBRKIWAM-LDADJPATSA-N 467.750 6.184 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc(Cl)c1 408598446 AMYIQZWDEKQMRY-ZDLGFXPLSA-N 459.170 7.399 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)cc1 408743871 HUHPBLCODPGJRL-NKFKGCMQSA-N 456.590 5.885 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 408756924 VHSZJZZVVQTPKG-SFQUDFHCSA-N 496.350 5.565 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1cccc(F)c1 408808737 FWHGUWWNOVHTTR-UDWIEESQSA-N 464.924 6.311 50 40 JKGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2cc3c(cc2Cl)OCO3)c(Br)c1 408886712 LLJFPJNDPXEATP-NYYWCZLTSA-N 498.558 5.448 50 40 JKGB COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1Cl 408890380 SCOKFVZFVGAHSM-IZZDOVSWSA-N 473.097 5.152 50 40 JKGB N#C/C(=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408896156 PMWBGITWJQFRBD-LICLKQGHSA-N 472.888 5.854 50 40 JKGB CCOc1cc(Cl)c(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1OCC 408904703 NHTYWLYAXCYUSO-JJFYIABZSA-N 454.752 5.364 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 408922855 GWRJBRUCWWLNGF-LZYBPNLTSA-N 489.200 6.709 50 40 JKGB O=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C/c1ccc(Sc2ccccc2)o1 408998065 QDMWOQCDLBFIBD-AUEPDCJTSA-N 455.750 5.920 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)cc1 409045284 FZMLWPHFEZNZGZ-LICLKQGHSA-N 498.322 6.035 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409076052 XBHHSLBDLOIONM-GZTJUZNOSA-N 480.929 5.630 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1ccc(C)cc1 409214552 VYOJOHPUKMBENQ-MTJSOVHGSA-N 493.357 6.708 50 40 JKGB Cc1c(Br)cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1Br 409259055 ZEEOJTNTUQSBJX-FSJBWODESA-N 466.217 5.510 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl 409259217 XHAZKZRAPNOVHO-PDGQHHTCSA-N 480.351 5.865 50 40 JKGB CN(C)c1ccc2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccco3)c(-c3ccccc3)c2c1 409397019 FAVOLKXTQWFVBU-UHFFFAOYSA-N 492.535 5.477 50 40 JKGB COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1OCc1ccccc1Cl 2077185 JQFKKMBJSXNKEU-LGJNPRDNSA-N 498.029 5.780 50 40 JKGB COc1ccc(CCCc2nnc(SCC(=O)N/N=C/c3cccc(Cl)c3Cl)o2)c(C)c1 2174633 KUODAOSFWJKWHS-BRJLIKDPSA-N 493.416 5.111 50 40 JKGB Cc1ccccc1N1C(=O)[C@@H](Cc2ccccc2Cl)S/C1=C(/C#N)C(=O)Nc1ccccc1 2396250 ZEDOXYMEMGZFED-BDPHVXEFSA-N 473.985 5.713 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)C(C#N)=C(SCc2ccccc2)N1 6137131 VKXZETAATUGOLY-VWLOTQADSA-N 472.013 6.608 50 40 JKGB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1Cl 6190705 TVHSWIGZKQLJLV-KSWAXPHNSA-N 482.411 5.416 50 40 JKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccn(Cc2ccc(Br)cc2)n1 8780724 HKDDBZNIYNIVAM-LQKURTRISA-N 483.369 5.764 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)NCCc1c[nH]c2ccccc12 9323042 HDUOYIBAVLBGJT-LFIBNONCSA-N 450.325 6.001 50 40 JKGB N#C/C(C(=O)c1c[nH]c2ccccc12)=C1\S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 11851795 ZKCBSZUYPQOPOY-XYZDCVNTSA-N 467.525 5.616 50 40 JKGB C/C(=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 13523599 RFXGSTQTSWSROU-ZTKZIYFRSA-N 465.509 5.995 50 40 JKGB CC[C@@H](C)c1ccc(OCCOc2c(Cl)cc(C=NNC(=O)Nc3ccccc3)cc2OC)cc1 15939048 LZNBMJAJPGYTKB-LJQANCHMSA-N 496.007 6.476 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OC(C)C)c(Br)c2)cc1 20198181 SZVYOZBOZRCNQB-FSJBWODESA-N 498.215 5.552 50 40 JKGB CC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(C)c2)=C(C#N)[C@H]1c1ccc(Cl)cc1 20347723 IYQVPSKTCIZLJM-HSZRJFAPSA-N 451.979 5.305 50 40 JKGB O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccccc1Br 20760642 IHGFHTBYNGPIKP-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3n2C)cc1C 27018856 HEGGTSZFYVQRSV-NKFKGCMQSA-N 471.564 6.363 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1Br 33632261 FXOUPKIMNUQKSL-QPEQYQDCSA-N 461.157 5.859 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)c1ccc(OCc2ccccc2)cc1 58980274 LDQGPNAOYPBYGG-UXHLAJHPSA-N 454.501 5.748 50 40 JKGB Cc1c(/C=N/NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)c2ccccc2n1Cc1ccccc1 67197022 SGKZGCCILHFTOX-OXFWTPGRSA-N 475.548 5.441 50 40 JKGB CCOCCCNC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 96663236 NXHYXGGEKILMJY-WQRHYEAKSA-N 463.361 5.031 50 40 JKGB N#C/C(=C\Nc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2cccc(Br)c2)cs1 100935112 TVLLADWXGMVKHU-FMIVXFBMSA-N 484.728 7.221 50 40 JKGB CCSc1sc(-c2ccc(C)cc2)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 105969504 DKSGTEAEYOLGSW-UHFFFAOYSA-N 496.661 6.850 50 40 JKGB CCOc1cc(OCC)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Br 107878394 UDVMOSVCGUCNIO-SSDVNMTOSA-N 492.351 5.133 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 207154559 NMBZDNGTBZSXMP-NVMNQCDNSA-N 471.771 7.080 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCC(=O)O 408553373 YEBYYONELCSDLB-GRSHGNNSSA-N 452.304 5.529 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2cccc(Br)c2)c1C 408588609 JDGHJBXEYRRFJN-WYMPLXKRSA-N 460.759 5.283 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1Cl 408591890 VWEMZZWYNNRFCQ-WYMPLXKRSA-N 488.725 5.354 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1C#N 408740221 DYHIYTDWGRTYSN-UVHMKAGCSA-N 454.313 5.217 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 408745189 PYONILOAPMXTKW-ODLFYWEKSA-N 492.329 5.790 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408793456 OYEAUONNIJMQHX-XSFVSMFZSA-N 499.910 6.633 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccccc1C#N 408798266 VSZOFNXELLFIPX-WSDLNYQXSA-N 471.944 6.043 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccccc2Br)cc1 408888610 XVPPIRNWSNVZME-CPNJWEJPSA-N 493.357 5.591 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2c[nH]c3ccc(Br)cc23)cc1 408933962 BWLYLVMBUZNEBS-LQNQUEJISA-N 497.396 6.460 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccccc1 408986566 NBRZQDIFFDULGS-OEAKJJBVSA-N 472.972 6.510 50 40 JKGB Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1 409026961 KTOCKKIULSRLBR-AFUMVMLFSA-N 461.568 5.066 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2N)cc(Cl)c1OCc1ccc(Cl)cc1 409046851 KXXPNNVHKIMPDE-UVHMKAGCSA-N 458.345 5.317 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 409192076 UKUGOFHDBJCGOS-LUOAPIJWSA-N 498.193 6.652 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1cccc(C(=O)O)c1 409228316 XFATYQFSAOTYGB-GRSHGNNSSA-N 496.441 5.537 50 40 JKGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 409357494 QMKNZRJTUNPUQO-MUFRIFMGSA-N 488.385 5.744 50 40 JKGB CCOc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC 409372173 CUGYBOUWSLPTMJ-XMHGGMMESA-N 468.513 5.052 50 40 JKGB CCc1cccc(C)c1N/C(SCc1cccc(C)c1)=C(/C#N)S(=O)(=O)c1ccccc1 2689750 QFPQHACYTFYOQU-SHHOIMCASA-N 462.640 6.378 50 40 JKGB COc1ccc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(F)c(Cl)c1 2775690 KNUOFHQYPKIAQG-NBGIEHNGSA-N 488.950 5.660 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 4196162 TXJYATBDTFGWCC-YVLHZVERSA-N 471.315 6.266 50 40 JKGB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)cc1OC 9292789 ISFJMFZIKLGVMO-GOSISDBHSA-N 457.317 5.009 50 40 JKGB CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1OC 9972930 DDRLXTGIOHWPHE-GRRFOWRYSA-N 463.759 5.834 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(F)cc1 14152169 HAQCAKFNLPTSNL-XDHOZWIPSA-N 487.556 5.771 50 40 JKGB CC[C@H](C)c1ccc(OCCOc2cccc(/C=N/NC(=O)CSc3nnc(C)s3)c2)cc1 16158173 JGAMMCDALPTGOR-STPJHCLOSA-N 484.647 5.060 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccccc1Br 20760334 RHHRZSZIGWXLPK-LGJNPRDNSA-N 466.766 5.869 50 40 JKGB Cc1ccccc1CSCC(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C 28215856 FCJCNAFMMREBHW-DHRITJCHSA-N 470.436 5.549 50 40 JKGB Cc1cc(/C=N/NC(=O)CCSc2ccccc2)c(C)n1-c1cccc(Br)c1 28217001 IQHPNBFHCWRKIF-BUVRLJJBSA-N 456.409 5.489 50 40 JKGB CCOc1ccc(C2=C(/C=N\NC(=O)c3ccncc3)[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1 35375341 KZFPXKYRTNSREV-XGUCDPIRSA-N 493.538 5.971 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1 40007592 QAGRLDIFIWQRDR-SYVPYPDPSA-N 460.961 6.102 50 40 JKGB N#C/C(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 59224985 KVUIWNFDGATUKU-LFIBNONCSA-N 468.296 6.026 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccccc1Cl 59536610 IQUAAWSBQARSES-UDWIEESQSA-N 481.379 6.825 50 40 JKGB N#C/C(=C\Nc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2cc3ccccc3oc2=O)cs1 100729590 XYELXMBCTBWVJM-JLHYYAGUSA-N 473.863 6.565 50 40 JKGB COc1ccc(Br)cc1/C=C(/C#N)c1nc(-c2cccs2)c(NC(C)=O)s1 102990316 NDIBNERWNPTZNU-JYRVWZFOSA-N 460.378 5.665 50 40 JKGB O=C(OC(=O)[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)C2(Cl)Cl)[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)C2(Cl)Cl 217507628 DEZAZONUZUZECG-HPHUFREVSA-N 480.259 6.057 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(Cl)cc1 408739410 BPJSFPUMEFQCTN-BRJLIKDPSA-N 461.718 5.585 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2C)sc(C)c1C 408745448 MKCBGHSJTFHRES-UNOMPAQXSA-N 482.005 6.148 50 40 JKGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Br 408753732 BYYUCZMQMCJCST-ZROIWOOFSA-N 462.141 5.322 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(C(C)(C)C)cc1 408782702 ISKBEWQBOJROPI-QQTULTPQSA-N 466.629 5.647 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Cl 408791083 SYNMWLXOCGAFMD-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCC)ccc3ccc(OCC)cc23)cc1 408793831 GTTBAXOJBRMBQW-HMMYKYKNSA-N 458.514 5.360 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)ccc1OC(C)C 408821170 DCVVFOMIKKELKJ-PXLXIMEGSA-N 490.987 6.651 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2ccccc2Br)cc1 408875410 IKBLIQBNXQUAKB-KGENOOAVSA-N 491.385 5.993 50 40 JKGB CCCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OCC 408883367 QXBUQDBCLAXLRZ-XNTDXEJSSA-N 494.304 5.163 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccccc1F 408887045 LOOGHPUOIBLAAV-HMMYKYKNSA-N 456.904 6.757 50 40 JKGB Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 409020087 ZDGVAOJGTHKOPF-RSBFIHLVSA-N 495.623 5.670 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1OCc1ccccc1Cl 409063870 AHDSUNCLWUQNPR-PXLXIMEGSA-N 488.971 6.297 50 40 JKGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Br)cc3)c2C)cc1Cl 409064922 QYFCNMDBZXKBRM-WYMPLXKRSA-N 460.759 5.283 50 40 JKGB Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)CNc2ccc(I)cc2)o1 409079314 KUUISOWSTLRZCW-BHGWPJFGSA-N 493.732 5.075 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 409250134 WEJWMNYSRXJYFP-NVJOKUIPSA-N 495.765 6.066 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1C 409257408 QSGFJSICYOLETK-UDWIEESQSA-N 489.959 5.529 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1C 409264171 PNFBRQLXJINNBV-NDENLUEZSA-N 489.959 5.529 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccccc4F)c(Cl)c3)[nH]c2c1 409389822 ARWGBSIUYGTISC-PXNMLYILSA-N 468.315 6.661 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c(C)n1-c1cc(Cl)ccc1Cl 409390957 GJFQAXSGXXUHLZ-IPPBACCNSA-N 465.384 6.116 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 409393681 YYTOZRPRYAZESY-CEUNXORHSA-N 465.509 5.456 50 40 JKGB CC(C)N(C(=O)C1=CC=C[C@@H]1[PH](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C 521335584 FVLBQIFRGUSVTI-LJAQVGFWSA-N 455.582 5.223 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc(Cl)c1 716014 YEYMVSYQJAWTSA-QHCPKHFHSA-N 464.949 5.378 50 40 JKGB N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 1189746 VEHIXRZXVGBLQB-XFXZXTDPSA-N 486.380 5.838 50 40 JKGB CCOc1ccccc1N/C=C(/C#N)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 1815138 NAXARHWQZVAZCV-SDXDJHTJSA-N 465.534 6.445 50 40 JKGB Cc1ccc(N2C(=O)[C@@H](Cc3ccccc3)S/C2=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 2422738 NQVYBMQDCWAUIF-QPQMVVSWSA-N 457.530 5.199 50 40 JKGB CCC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccc(O)c(O)c2O)c(C(C)(C)CC)c1 3270584 HFDXUFRJRLPQAU-OGLMXYFKSA-N 470.610 5.488 50 40 JKGB CC(C)c1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 3277095 YDDHAWCEYXSWMC-RUZDIDTESA-N 475.589 5.750 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@H]1C[C@@H]2[C@@H](c3c(ccc4ccccc34)N[C@H]2c2ccccc2)[C@H]1Cl 6474018 MNJHTWREHWCETR-HQEVBGHTSA-N 487.024 7.787 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)c1 9427934 VJQUMSOOOFPVTA-VECHRTTRSA-N 453.567 5.368 50 40 JKGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc(C(C)(C)C)c1O 9891842 OYUVYWHJOAWCJL-VULFUBBASA-N 459.974 5.632 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 13388087 HMPFQJHKBYULPO-LDADJPATSA-N 467.403 5.738 50 40 JKGB O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1c[nH]nc1-c1ccc(Cl)c(Cl)c1 15930582 FKKSCJWGERROCB-XODNFHPESA-N 495.366 5.492 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)c(C)c1 20195305 XKZPMPHIUYKNBM-OCSSWDANSA-N 456.973 6.382 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCC(=O)Nc1ccccc1 33374528 QRTMATPMGXINOS-BOPFTXTBSA-N 481.321 5.678 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 33560155 MIQPMNJWCSPHBB-KQWNVCNZSA-N 481.527 6.064 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 33655828 MUHDWEGZWVPVEU-WCMJOSRZSA-N 494.526 5.345 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1F)C(=O)Nc1ccc(F)cc1 34890773 WLFMRVQUIYGZTM-LFIBNONCSA-N 467.859 5.181 50 40 JKGB CCOc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)ccc1OCc1ccccc1Cl 41120607 WWHSLHZDMCMJJN-CPNJWEJPSA-N 489.984 7.123 50 40 JKGB COc1ccc(-c2ccc(/C=N\NC(=O)COc3ccccc3-c3ccccc3)o2)cc1Cl 67197069 YBWMIGUYYRLVLQ-NTFVMDSBSA-N 460.917 5.805 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)c1cccc([N+](=O)[O-])c1 107714752 DCTZICWWKIVREL-GRSHGNNSSA-N 479.286 5.699 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OCC)c1OCc1ccc(Cl)cc1Cl 108166784 DLVMVMIDPPRJMV-BKUYFWCQSA-N 482.382 7.903 50 40 JKGB Cc1ccc(/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1 209399586 MBBJYXPSHOUCNQ-RGVLZGJSSA-N 483.203 7.163 50 40 JKGB Cc1ccc(NCC(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 408534739 WQCVFLDHAPTIDI-AMVVHIIESA-N 479.411 6.175 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(Br)c1OCc1ccccc1 408599485 VNSIFSCRBDEDLT-GRSHGNNSSA-N 454.751 6.754 50 40 JKGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1 408611088 PXFHSTRGVFWWMF-LQKURTRISA-N 463.965 5.133 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 408726600 UESSNUFBWQCPHP-HMAPJEAMSA-N 471.513 5.735 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1 408742346 OLNYJAVHRRZCFO-PDGQHHTCSA-N 467.750 6.227 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(-c2ccccc2)n1-c1ccccc1 408779209 SGDWUFQJPZJVRR-JWGURIENSA-N 482.381 6.761 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1cccc(F)c1 408813074 DRPHIMYCFGLCSG-ZDLGFXPLSA-N 468.887 6.142 50 40 JKGB CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 408823053 DIAHYDQAIYAJCJ-XSFVSMFZSA-N 462.933 5.872 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1Cc1ccccc1Cl 408866487 HQMMEKIHJPYRHU-YBFXNURJSA-N 451.353 6.447 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c1OCc1cccc(Cl)c1 408879157 CQPKSTNZZRJUDS-CPNJWEJPSA-N 462.889 5.171 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)cc1 408894939 LDTOFVHOXVVVMC-XQNSMLJCSA-N 452.941 6.926 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc2ccccc12 408925898 UTGGGQPPBLCUJL-LTGZKZEYSA-N 452.897 6.258 50 40 JKGB O=C(N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1cccc(Cl)c1 408926614 XETJRBMUUJCUMF-FDAWAROLSA-N 464.952 6.989 50 40 JKGB Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 408993691 FAYGEAPTXKKEMG-GXBUFBABSA-N 498.586 6.462 50 40 JKGB O=C(NNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 408995758 DOKJAYNDHRLXID-UHFFFAOYSA-N 497.165 5.627 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1 409195159 PTRRGXASGLFMCO-AKCCUMBPSA-N 498.808 5.308 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1OC 409323050 MSPQFILLZGESBK-NTFVMDSBSA-N 482.964 5.489 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 409373614 WNIFMWHYDKEHCH-LFIBNONCSA-N 475.423 5.334 50 40 JKGB COc1ccc(OC)c([C@@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)c1 668642 KPHYOYVZYUYIFE-JOCHJYFZSA-N 469.463 5.027 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2ccc(SC)cc2)nnc1-c1ccc(C(C)(C)C)cc1 1840941 LUVDRKAQLQXEQL-MFKUBSTISA-N 467.664 5.227 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C2/S[C@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 2210045 OZBRAQAPNFLXBG-GUNDDFSMSA-N 469.566 5.150 50 40 JKGB COc1cc2c3c(c1)-c1c(sn(-c4cc(C)cc(C)c4)c1=S)C(C)(C)N3C(=O)C2=C(C#N)C#N 2431112 TVCAAEKMUWAEBF-UHFFFAOYSA-N 484.606 5.957 50 40 JKGB O=C(NNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)Nc1cccc(Cl)c1 3205781 ZTXMAHYXPYNVFT-UHFFFAOYSA-N 451.850 6.272 50 40 JKGB COc1cccc(/C(C)=N\NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1 8817697 CGXKHMBTAAQXMA-PKAZHMFMSA-N 492.004 5.229 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(Br)cc3)c2C)cc1Cl 9203615 VZOWXAFHLPTGIX-DHRITJCHSA-N 458.787 5.511 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c([N+](=O)[O-])cc1OCc1ccccc1 9259727 JRXALKRYKVEEKI-YDZHTSKRSA-N 479.492 5.881 50 40 JKGB Cc1ccccc1C[C@@H]1S/C(=C(/C#N)C(=O)c2c[nH]c3ccccc23)N(c2ccccc2)C1=O 10435207 UTYXTEIWCRQRMZ-NNHPPCHPSA-N 463.562 5.786 50 40 JKGB CCOC(=O)[C@H]1CC/C(=N\NC(=O)CSc2cc(C)c(Br)cc2C)C(CC)=C1C 12311827 MXPUOQOVFHBHAO-YDSCJXCKSA-N 481.456 5.330 50 40 JKGB C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1 16136994 FSRRMVRMWIDDJW-LQKURTRISA-N 454.357 5.724 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3c[nH]c4ccccc34)n2C2CCCCC2)cc1 16311245 PSDNPOPPGPSHIX-LQKURTRISA-N 472.618 5.482 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2sc3ccccc3c2C#N)c1C 16347262 BUQVQMXKTZZDKT-YBFXNURJSA-N 470.985 6.688 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccccc1 33556439 ACMUVLQBVDYGQE-LICLKQGHSA-N 457.744 6.771 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 59266521 RPEOWRVYZWLMKW-DEDYPNTBSA-N 479.349 6.275 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(Cl)c(Cl)c1 59433030 LDCHAQWTZQRFTI-WOJGMQOQSA-N 459.373 5.937 50 40 JKGB Nc1ccc(Oc2ccc(P(=O)(c3ccccc3)c3ccc(Oc4ccc(N)cc4)cc3)cc2)cc1 100313182 VCVYPLHSYOPLFP-UHFFFAOYSA-N 492.515 6.075 50 40 JKGB CCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103527994 UOTHFHKVZHSSCN-ZETCQYMHSA-N 494.126 6.864 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1Cl 107734799 OUEUTYGYKNSSDL-WKIKZPBSSA-N 461.311 6.735 50 40 JKGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1 408554698 SXSDRAFOHVSLKL-SFQUDFHCSA-N 466.324 5.557 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)c1nc2ccc(F)cc2[nH]1 408570700 XRPMVCSUPONEAP-YBEGLDIGSA-N 491.320 5.546 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1OC 408581956 KAHDRNZYTALKRF-WOJGMQOQSA-N 483.351 6.092 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccc(N2CCCC2)cc1 408677514 RFDMFFGYELZVQF-OKCVXOCRSA-N 491.422 6.361 50 40 JKGB O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 408719456 FICGBVDCWZFWHK-DHRITJCHSA-N 469.950 5.211 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408726472 RVCKBDXYWQTQFV-MOSHPQCFSA-N 479.330 6.399 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)c1 408744010 DDIQXUUIJRAUIN-MTJSOVHGSA-N 476.960 6.180 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc([N+](=O)[O-])cc1 408744190 JKZYHFSHYJPLEC-SFQUDFHCSA-N 465.307 5.311 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(C(=O)O)cc1 408812229 NYXMFKLIZNKTEB-JCMHNJIXSA-N 456.473 5.377 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(Br)c2)cc1 408869890 SLYCTWWFCMVYQE-FYJGNVAPSA-N 463.350 6.287 50 40 JKGB COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1ccc(C)cc1 408904974 RIWBUXCVWRUZCI-WGARJPEWSA-N 482.378 5.809 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccc2ccccc2c1 408922179 DSYAMAIYMWXOQS-JVWAILMASA-N 459.343 5.945 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Br)cc1F 408961464 CKNFOKROVUKWLG-LUOAPIJWSA-N 482.275 5.778 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(C(=O)O)cc1 408983042 JUYYIENJKFUKEY-HAHDFKILSA-N 486.955 6.200 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC#N)c(Br)c2)cc1Cl 408983583 MMMVXOCEBASXBY-MLPAPPSSSA-N 465.134 5.512 50 40 JKGB CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)n4nc(C)cc4C)o3)sc2c1 408991961 PIRCWNDFGKAONS-XNTDXEJSSA-N 450.545 5.500 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 409056203 LBOKMWAQZWSJPY-LZYBPNLTSA-N 492.189 7.425 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1)c1nc2ccccc2o1 409086360 ZHQVVQOQGKCAOE-NTEUORMPSA-N 485.805 7.265 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCc1ccc(Br)cc1 409193543 GEPCLTSESREXNU-WJRZFDRGSA-N 492.373 5.184 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1 409211021 KEAVMDBNVHTHGS-ZDLGFXPLSA-N 455.297 6.553 50 40 JKGB Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1C 409249913 JSLGUIBWGBHXKQ-HAHDFKILSA-N 453.542 5.483 50 40 JKGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)ccc3C)=C2C#N)cc1Cl 409311990 IMXHKBVXUPCZNR-OAHLLOKOSA-N 476.385 5.021 50 40 JKGB Cc1ccc(C(=O)N(NC(=O)[C@H]2CCCN2c2ncc(C(F)(F)F)cc2Cl)C(C)(C)C)cc1 1500980998 MSBDMBBBHRAGPA-GOSISDBHSA-N 482.934 5.003 50 40 JKGB COC(=O)[C@H]1C(=O)NC(SCc2cccc3ccccc23)=C(C#N)[C@H]1c1ccccc1Cl 859124 YNXNPKLFUGMYLD-FGZHOGPDSA-N 462.958 5.164 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1OC 954321 XMOHXWFIPLZSPL-CAOOACKPSA-N 453.951 5.259 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)sc(C(=O)OC)c1C 2359186 ITYOCNOLGUTCQK-UVTDQMKNSA-N 487.990 5.773 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2F)c1C 2998423 HSHCBFBHQLOLGT-RQZCQDPDSA-N 486.772 6.503 50 40 JKGB COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc(COc2cc(C)ccc2C(C)C)cc1 3251212 JMRSQAJYYJUIRM-MUFRIFMGSA-N 476.573 5.487 50 40 JKGB CC(C)(C)c1ccc(-c2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)n2C2CCCC2)cc1 3361512 RWXFLZLDFZMZPQ-UHFFFAOYSA-N 498.656 6.292 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)n1 8722631 KOGUMJVYUISBPR-CCVNUDIWSA-N 491.016 5.721 50 40 JKGB O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1c2ccccc2cc2ccccc12 9232775 OVFFHKLUPFBXNC-OGLMXYFKSA-N 488.385 6.015 50 40 JKGB O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(I)cc1 10476134 QQSWGEKQOVAIJF-LSHDLFTRSA-N 485.108 5.622 50 40 JKGB CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(C)c2C(=O)OCC)cc1OC 12124838 HHYNNIXZJFFSID-CPNJWEJPSA-N 470.591 5.665 50 40 JKGB CC(C)Oc1ccccc1/C=N/NC(=O)c1ccc(N/N=C/c2ccccc2OC(C)C)cc1 14356698 SWCYYOCVABNJEU-POAOKBCDSA-N 458.562 5.471 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2cccc(F)c2)c1)C(=O)Nc1ccc(Br)cc1 15228248 ARRZGWSAZXBTLG-GZTJUZNOSA-N 465.278 5.353 50 40 JKGB Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)C3c4ccccc4Oc4ccccc43)cc2)n1 15317603 XQKPXFRDTBXYFO-UHFFFAOYSA-N 496.592 5.085 50 40 JKGB N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)C(=O)NCc1ccccc1 16479914 RBMQFNHUMXCZJN-XHLNEMQHSA-N 479.583 7.035 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2C)=C(C#N)[C@@H]1c1cccs1 20028771 FAHKCCYODGCKJO-HSZRJFAPSA-N 479.627 5.162 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)cc1 20198091 FPIQLGQKDKZHMT-LQKURTRISA-N 490.401 6.005 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSC3c4ccccc4-c4ccccc43)c2C)c(C)c1 28217160 SAKXUNBDARZJKI-KBVAKVRCSA-N 479.649 6.664 50 40 JKGB O=C(CCn1c2ccccc2c2ccccc21)N/N=C(/c1ccccc1)c1ccc2c3c(cccc13)CC2 28297149 CHQAMNAJJJVQNP-ZSWXBHCYSA-N 493.610 7.005 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1 33366659 OZUQQIUPNRDPGR-ZDLGFXPLSA-N 480.274 5.909 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1F 34720034 WIDVNAYWIORMDT-LDADJPATSA-N 493.922 5.441 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(CSc2ccccc2)cc1 59474265 MMGXXAJAIQDVPF-UXHLAJHPSA-N 487.024 6.975 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccc(COc2ccccc2)o1 96265090 ZDUQNOQIDOUKDW-WKULSOCRSA-N 495.362 6.508 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)ccc1OCc1ccc(Cl)cc1 96398846 YZQUIIIOSNOPPF-XKZIYDEJSA-N 460.961 6.399 50 40 JKGB CCCCCCCCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1 100710079 DITWUSVWQUROML-LVZFUZTISA-N 458.396 7.300 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccccc1F 408541853 IAJUFIBTNXLDFF-NVMNQCDNSA-N 480.879 5.311 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc(F)cc1 408579585 IEXKDJIRFGMAOM-RQZCQDPDSA-N 476.762 7.828 50 40 JKGB O=C(N/N=C/c1ccc(O)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 408729465 BNVLUVUCIBMVHB-NJZRLIGZSA-N 457.533 6.281 50 40 JKGB CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccccc3C)c2-c2ccccc2)cc1 408742304 OFWJOTBTHDSTCY-PPFNPFNJSA-N 499.614 7.282 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1 408755226 MYQPCYHOTQBIDH-XIEYBQDHSA-N 476.532 6.141 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccccc1Br 408757042 ZIDIUXHSSZFCEX-CJLVFECKSA-N 483.365 6.727 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OCC)c1OCc1ccccc1C#N 408798748 WYSGAFKCDXKQGD-BUVRLJJBSA-N 497.982 6.464 50 40 JKGB CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 408817626 UHKULPPGPOTLMZ-RCCKNPSSSA-N 491.385 6.363 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OC 408832668 IFUYVHGUJUKENI-UDWIEESQSA-N 462.933 5.790 50 40 JKGB O=C(N/N=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1cc2ccccc2o1 408852600 LSMQFSPZPKVUPW-QDTIIGTASA-N 462.336 6.507 50 40 JKGB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1C 408854594 JBXPJHZIHWDOJD-ZRGSRPPYSA-N 494.345 5.373 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1Cc1cc(C)cc(C)c1 408871891 YZTZTZQXEIFRHF-ZMOGYAJESA-N 458.989 6.800 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 408882753 SDBALZPDRRQPMQ-XDHOZWIPSA-N 496.972 5.279 50 40 JKGB O=C(COc1ccccc1Cl)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 408913711 RJEOGWNGPMWCKP-KVSWJAHQSA-N 486.786 6.179 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1 408979032 KVWQTOCXWBIOPX-OJANRJRPSA-N 486.547 5.156 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(Cl)cc1 409067239 PWBBYZHMJBHJBZ-HYARGMPZSA-N 460.917 6.628 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1cccc2ccccc12 409130921 XGBWZHOASRPPNT-NDEPHWFRSA-N 464.521 5.741 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4cc(C(=O)O)ccc4C)c3C)cc2c1 409186373 BCPOWYAIDKFPCX-VYYCAZPPSA-N 459.502 5.010 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccccc1 409241314 RBQMFYYTAYIMIJ-VBNMEBLOSA-N 496.350 6.265 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(Cl)c2)cc1OCC 409316634 ZBYRTRZCIXAAHJ-MWLSYYOVSA-N 484.955 6.010 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1OCC 409323766 QHIFGOYHRJITLH-DXJNIWACSA-N 498.579 5.989 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1 409359221 AJAUYSFWUDLDDA-DICXZTSXSA-N 481.390 5.346 50 40 JKGB CCO[Si](CCCc1ccc(C(C)(C)c2ccc(OC[C@H]3CO3)cc2)cc1)(OCC)OCC 1857793454 NDZORLVPMHDYOE-SANMLTNESA-N 472.698 5.771 50 40 JKGB O=C(NNC(=O)c1cc(-c2cccnc2)nc2ccccc12)Nc1ccc(Cl)c(Cl)c1 6191254 DWLIMCFDNJWINP-UHFFFAOYSA-N 452.301 5.070 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Br)c3)c2C)cc1 20197623 HFMZKKLOZTXSFW-CVKSISIWSA-N 468.395 5.718 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)c(C)n1-c1ccccc1Br 20240893 XTIDXYYHOKHSAX-BRJLIKDPSA-N 490.854 5.894 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)ccc1OCc1ccccc1 33530474 BTXCEEHSLFDHOC-UYRXBGFRSA-N 466.509 6.135 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 33690303 KKKHYXVRKPRQCK-LGMDPLHJSA-N 453.325 6.127 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 40006668 MBODKQZOGPETKV-RGVLZGJSSA-N 467.352 5.804 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(O)CC(C)(C)CC3=N2)cc1 102628424 KDBUHZNMXHLULW-DEOSSOPVSA-N 492.044 6.926 50 40 JKGB COc1cc(/C=N\c2cc(Cl)c(N=O)c(Cl)c2)ccc1N(CCCCl)CCCCl 104138047 DTYDGVOTISRQBB-MXAYSNPKSA-N 477.219 7.215 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1 107868421 XQHDLBRTVCQITR-ZDLGFXPLSA-N 495.304 5.411 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)c1 252496901 PULZEEPWEOWAKH-XNTDXEJSSA-N 464.365 6.838 50 40 JKGB CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OC 408566660 AVNRIGDKNLEDID-VSRRSJTHSA-N 495.066 5.534 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1F)c1ccc(Cl)cc1Cl 408581235 VGZCGPGZEHSAOO-CXUHLZMHSA-N 477.160 7.538 50 40 JKGB CCOc1c(I)cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc1OC 408598966 MHWRALWDIPWDTC-MDWZMJQESA-N 477.327 5.232 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 408726189 RHGGIBDJNZXJJA-UYRXBGFRSA-N 493.357 5.591 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 408744583 MEOSYNRCBNUZIK-UNOMPAQXSA-N 480.923 6.011 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(=O)OC)ccc3Cl)o2)c1 408745477 MQFMCYHPSUKHME-WJDWOHSUSA-N 450.878 5.331 50 40 JKGB COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)o2)c1 408747793 SZZAPCLMOGTMGU-WJDWOHSUSA-N 465.303 5.350 50 40 JKGB C/C(=N\NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C 408774099 AQIFIPNTLNVJEX-BUVRLJJBSA-N 470.422 5.035 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c2ccccc2n1Cc1ccc(Cl)cc1 408784303 QHBQSMHOZSYQCB-JCMHNJIXSA-N 483.999 6.984 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408787507 BBKZGSWTIANZJX-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl 408791960 FSTXNCCJWKLAJQ-UDWIEESQSA-N 481.379 6.825 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1Cl 408817824 WJLNMRDXHAKWKU-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2cc(C)cc(C)c2)cc1 408865855 GAZSVDUBPLQDGS-PCLIKHOPSA-N 468.553 5.625 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3Br)ccc3ccccc23)c1C 408870686 WKQNXULXSDIDAR-JJIBRWJFSA-N 495.420 7.356 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC(=O)c1ccccc1 408881868 OVJPUVFQGZEITB-GZTJUZNOSA-N 477.860 5.022 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2Cl)c1 408884675 YCDRUHUBNLXXAE-VXLYETTFSA-N 485.798 7.388 50 40 JKGB Cc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)CSc3nc4ccccc4s3)c2)cc1 408886385 GQRMBEDEAWLNPL-AFUMVMLFSA-N 461.568 5.066 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)cc2)cc1 408887671 QHVYINXOCMEHIF-XMHGGMMESA-N 463.331 5.582 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1)C(=O)Nc1ccccc1Cl 409046091 IRACZGPCRFXDDP-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCc3ccc(Br)cc3)cc2c1 409188513 ZUNHGLLZZALPRK-DICXZTSXSA-N 493.357 5.937 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OC(C)C 409199425 COXUOHOCDCSDQF-FOKLQQMPSA-N 485.831 5.531 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc2ccccc2c1 409203109 UOVZFTYGWKWXBO-LQKURTRISA-N 460.986 6.315 50 40 JKGB N#C/C(=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)C(=O)Nc1ccc(Br)cc1 409237602 AGNAFHVITMIGBU-DEDYPNTBSA-N 474.333 6.137 50 40 JKGB CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1 2199838 YDFYLHUTCXYQNI-FXBPSFAMSA-N 476.602 5.294 50 40 JKGB N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 2401388 BHCBUUPKWNRUKL-FNBPXTNNSA-N 495.938 5.683 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OCc2cccc3ccccc23)c1 8812717 MIUZVVWEOWFEHA-LQKURTRISA-N 489.369 5.954 50 40 JKGB COc1ccc(Cl)cc1NC(=O)COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 9187322 NTFWXDHMQPRCJJ-SFQUDFHCSA-N 458.905 5.307 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 9311364 LSULTPMAJBIVDX-KPKJPENVSA-N 461.688 6.151 50 40 JKGB CCOc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)c1O 9411442 YUWUTRRXJWIVPK-JVWAILMASA-N 493.633 5.105 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCCOc2ccc(C)c(C)c2)cc1 13897700 LJUBLPXJRIUMJH-FYJGNVAPSA-N 495.406 6.922 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2 20533885 XAMHMYOQPFKDRJ-NDENLUEZSA-N 469.928 5.295 50 40 JKGB C/C(=N/NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1)c1cc(Br)cs1 22704017 WJNCCLGUXVVMHW-CFRMEGHHSA-N 468.380 5.015 50 40 JKGB C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 25809550 KFNPCOLZUGVWCD-LQKURTRISA-N 486.424 6.019 50 40 JKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1nc2ccccc2c(=O)n1Cc1ccccc1 28218279 QZVFKEQRMKGEJW-BIZUNTBRSA-N 482.543 5.515 50 40 JKGB N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)Sc1nc2ccccc2s1 35362314 GRZBDNUIYZWGCQ-JWGURIENSA-N 450.588 7.685 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccc(Cl)cc1Cl 48573659 XDTCULPRPKJWOE-WKULSOCRSA-N 485.411 6.642 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c1OCc1ccc(Cl)cc1Cl 59435282 KPWAGPXKYJIJSR-LUOAPIJWSA-N 498.193 6.652 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1ccc(Cl)cc1 107925892 DUDFKLOMTIWENN-YVLHZVERSA-N 472.741 6.893 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(Br)cc2)c2ccccc2n1Cc1ccc(F)cc1 408590931 RLAWMIPPSSYQDV-MZJWZYIUSA-N 464.338 5.664 50 40 JKGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 408612030 TZMOMLKJDXIXNY-MZJWZYIUSA-N 470.356 5.224 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1C 408765244 XNOZFXYTSLTWNF-WKULSOCRSA-N 499.527 5.271 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1 408811431 QZGUJOHXEVHOKP-FYJGNVAPSA-N 473.359 7.271 50 40 JKGB COc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(OC)c1OC 408852287 RTKLZQJQSGLMQC-MIXAMLLLSA-N 469.541 5.242 50 40 JKGB CCOc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1 408855739 GZHFKJJBNLMTSO-MXAYSNPKSA-N 454.914 5.000 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2F)c(Br)cc1OCc1ccccc1 408858572 UATQEOLHSLSENN-VULFUBBASA-N 471.326 5.330 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1Cl 408883139 SZCPFDVRTMVQGS-DEDYPNTBSA-N 476.916 5.562 50 40 JKGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 408889991 MFUKKIVSNRVABF-LUOAPIJWSA-N 498.193 6.408 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCc1cccc(F)c1 408963638 CZISHVMTBCCOQT-KKMKTNMSSA-N 497.866 5.485 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C)c1 409034598 HRDAWFVEGOKPCZ-DXJNIWACSA-N 458.565 6.382 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 409048762 TZFXPQGXKMCYLN-CPNJWEJPSA-N 475.932 5.220 50 40 JKGB COc1cc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1 409166728 GGOOIPWEHQGDMK-STBIYBPSSA-N 493.991 5.495 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)cc1OCc1cccc(C)c1 409213835 UAEZJPIJBONPJI-JAIQZWGSSA-N 479.330 6.318 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2cccc3ccccc23)c(Br)c1 409228712 CYFPHCWEZARLRA-MWLSYYOVSA-N 491.360 6.013 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)NCCCc1ccccc1 409233744 WMTRDOLUKINUMU-GHRIWEEISA-N 480.318 5.273 50 40 JKGB Cc1ccc(C)c(CC(=O)N/N=C\c2cccc(OCc3ccc(Br)cc3)c2)c1 409365678 RKSJCIPJOSOOBZ-YSMPRRRNSA-N 451.364 5.338 50 40 JKGB Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C#N)cccc3c2-c2ccccc2)cc1 409396907 CUQDEBOFBKLKII-UHFFFAOYSA-N 498.542 5.998 50 40 JKGB CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1OCc1ccccc1 2176398 OYRRPJIKSPIJPH-MFKUBSTISA-N 453.336 5.191 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)c(C)c1 2222931 HBQIUDGNONIJFV-ABPPERTMSA-N 453.567 5.368 50 40 JKGB O=C(N/N=C/c1c(-c2ccc(Br)cc2)nc2sccn12)c1ccc(C(F)(F)F)cc1 8857192 XURZXSTUIXUSQM-OPEKNORGSA-N 493.308 5.608 50 40 JKGB N#C/C(=C\c1cccn1-c1ccc(Br)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 14152066 ILKMGUNWRABPBW-NTCAYCPXSA-N 477.387 5.597 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OC(C)C 14152175 AZOOLLOJUVIWPE-OVCLIPMQSA-N 455.967 5.493 50 40 JKGB O=C(COc1ccc2ccccc2c1)N/N=C\c1ccccc1OCc1cccc(Br)c1 16545862 JCEWPQWIGZVMFJ-NTFVMDSBSA-N 489.369 5.710 50 40 JKGB N#C/C(=C\c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1)C(N)=S 33685632 FJCMELVNEXWAIS-LFYBBSHMSA-N 486.616 5.637 50 40 JKGB CCOc1c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cccc1OC 33772823 JNXCCRJEWUMEFZ-RHANQZHGSA-N 487.556 5.437 50 40 JKGB COc1cccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)c1OCc1ccccc1Cl 39389337 SJPFDEYTWKLWQU-XSFVSMFZSA-N 481.943 5.631 50 40 JKGB Cc1cc(OCCCn2cc(/C=N/NC(=O)c3ccncc3)c3ccccc32)cc(C)c1Cl 41078029 GDNNWCJQJRYUAX-MUFRIFMGSA-N 460.965 5.540 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccccc3Br)c2C)c(C)c1 58926738 UEIGCLUUEHOXGZ-LGJNPRDNSA-N 484.463 5.857 50 40 JKGB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H]5CC[C@H]4[C@@]3(CO5)C(=O)[C@@H](Br)[C@]12C 263596569 FUKGALSZILDDJS-ZCMJQLIUSA-N 481.471 5.166 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1 408535681 ZOXFRFOOXGFUKM-FJEPWZHXSA-N 471.479 5.245 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccccc1 408580221 NCUHZUZDNOSBCX-VCHYOVAHSA-N 458.772 7.689 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1OC 408583397 UGXWCPKOSDQYFL-VXLYETTFSA-N 480.904 5.917 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1C 408611902 XMDKVJJZNXUUIW-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)cc2)cc1 408712070 YHHYRQUSTAODFY-QQXSKIMKSA-N 467.363 5.120 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)ccc1OCc1cccc2ccccc12 408728564 OVAKMYYFCMDMPG-OCSSWDANSA-N 482.536 5.239 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)c1 408756152 UEPFLESVSYYDAZ-YBFXNURJSA-N 493.357 5.591 50 40 JKGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1cccc(Br)c1 408760706 DMVQILFRACGTDZ-WQLSENKSSA-N 472.682 5.816 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 408765800 YDKFNATYFHJHPL-FDAWAROLSA-N 461.521 5.496 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)Nc1ccc(Br)cc1 408775755 URUMDFFINDCUQE-PTNGSMBKSA-N 465.263 5.090 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1cccc(F)c1 408787621 CTPGCPKQYNQGEX-XDHOZWIPSA-N 495.348 6.112 50 40 JKGB CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1 408801897 WOMRJCWZVCILLM-GXDHUFHOSA-N 464.157 5.546 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)NCCc1ccccc1 408811124 KJHSBJXUUHPKAY-KGENOOAVSA-N 451.353 5.838 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2cn(Cc3cccc(F)c3)c3ccccc23)c(OC)c1 408869361 CHJJNGFHAZTZLP-FYJGNVAPSA-N 469.516 5.069 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2Cl)cc1 408874853 DLODSRZWRVKMKZ-KGENOOAVSA-N 479.363 6.307 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccccc1Br 408881642 LVIDRSNVNRRTFE-DEDYPNTBSA-N 477.358 5.891 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)c([N+](=O)[O-])c1 408892746 CDVYHDWGNZCPAO-HMMYKYKNSA-N 493.475 5.521 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OCc1ccc(Cl)cc1 408897794 UBCQBHKIEKLZPU-GZTJUZNOSA-N 487.770 6.780 50 40 JKGB CCn1cccc1/C=N/NC(=O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 408932410 WVOXYCPEJQTBHC-DFKUXCBWSA-N 458.565 6.397 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1-c1cc(Cl)ccc1Cl 408944396 VLQNWZUIBPNAQN-NSKAYECMSA-N 498.197 5.797 50 40 JKGB Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)NC3CCCC3)cc2I)c1 409188224 BVWJJGNSHBKHJP-UNOMPAQXSA-N 486.353 5.144 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCc1ccc(Br)cc1 409193542 GEPCLTSESREXNU-MGZHSMRGSA-N 492.373 5.184 50 40 JKGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1 409227094 XLMMGHBLVYKPPL-ZRGSRPPYSA-N 477.731 5.639 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1 409239548 HGGLSXAMPYGACB-WBRURWICSA-N 495.804 6.466 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(Cl)c2)ccc1OC 409322148 IYNMMKWQEVQTAT-DICXZTSXSA-N 452.938 5.399 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)[C@@H]2c1ccc(Br)s1 705433 PVKGMSMELRJDHN-LJQANCHMSA-N 454.393 5.451 50 40 JKGB COc1ccc([C@@H](C)CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c(O)c1 1022126 KUWLWGVTCWIFHN-KIQCMGJBSA-N 457.324 5.067 50 40 JKGB CC(C)Oc1ccccc1-c1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccccc2n1 2090193 ZLGKNPKZLBXPSD-JVWAILMASA-N 454.486 5.361 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1C 2375567 ZSKZEYKQULAVGD-HEQFHQOESA-N 453.567 5.368 50 40 JKGB CC1(C)C[C@@H]2C[C@@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)C1 2411306 ZERXVHMDNIWWAX-PXGXHLJLSA-N 499.442 5.332 50 40 JKGB Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N/NC(=O)c1cc2c(s1)CC[C@@H](C)C2 3402069 YQDAYYPMBYIPQT-OEZLLYBRSA-N 488.588 6.062 50 40 JKGB CCOc1ccc2ccccc2c1/C=N/NC(=O)CSc1cc(C)nc2c(C)cc(C)cc12 6134317 LFVKZEWJYXVMBK-RWPZCVJISA-N 457.599 5.954 50 40 JKGB Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)c3ccccc3OCc3ccc(F)cc3)cc2)cc1 12798777 CKMHBYZHWZCHTI-UHFFFAOYSA-N 490.556 5.303 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 14131401 JFFDXLRINQOBMG-MTJSOVHGSA-N 493.357 6.708 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 20764954 YJVQYBJDAYHFBH-STBIYBPSSA-N 458.945 6.235 50 40 JKGB CC(=O)Nc1cccc(C(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)c1 33702519 FXOZOLJMFMIHEL-OCSSWDANSA-N 460.537 5.565 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc2ccccc2c1 34705125 QVMFGIHIRBZQAM-QFEZKATASA-N 450.494 6.790 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 59225059 VSMXMEOPVBIVDV-UNOMPAQXSA-N 497.378 6.525 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 67196979 RATKUOIEGLPDQN-IPPBACCNSA-N 499.781 7.103 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 83309952 OXRUPOKINKSDGM-KALUYTGESA-N 470.234 5.361 50 40 JKGB COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(Br)c1OC(C)C 100373196 NRMGBMCKOXKWBY-UUASQNMZSA-N 465.351 5.253 50 40 JKGB COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)C3=C(O)CCCC3=N2)cc1 102536896 MNQNFRYBBXWXAI-DEOSSOPVSA-N 459.571 5.645 50 40 JKGB CC(C)N1C(=O)/C(=N/NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c2ccccc21 102979516 RHBACOCBJVGXER-WEMUOSSPSA-N 486.622 5.478 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)ccc1OCc1ccc(Cl)cc1 139169997 ZAJNNTKWUDWBFY-KGENOOAVSA-N 476.960 6.180 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(F)cc2)c(I)c1)c1ccc(C(=O)O)cc1 408540595 AFVZSKWNYMFPLC-ODLFYWEKSA-N 499.279 5.772 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 408569587 OTKONQIQUZXMBU-NDENLUEZSA-N 484.487 5.990 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCC#N 408792722 CDJTYOPJWVSWDG-NTUHNPAUSA-N 495.160 5.603 50 40 JKGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12 408800773 QWAAOGRKYWVVCX-DDFGLARDSA-N 476.418 6.054 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OCc1ccc(Cl)cc1 408807705 DVWXJRGJRQJBRG-STZFKDTASA-N 476.935 6.341 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 408812067 NMHNGLPHRGMCIZ-JMIUGGIZSA-N 480.923 5.299 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408882071 PCEBUISTMVUDCS-VCHYOVAHSA-N 486.196 6.892 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 408889848 JVVSIKJLWJBJBH-LICLKQGHSA-N 496.306 5.975 50 40 JKGB CC(C)(C)c1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O 408996941 CCGMLXJJVJPRAR-GIQGSQORSA-N 499.655 5.999 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OC(=O)c2c(F)cccc2F)cc1 409019392 YYNTZUKZTAUZEB-RPPGKUMJSA-N 483.521 5.036 50 40 JKGB Cc1ccc2c(c1)c(/C=N\NC(=O)CSc1nc(C)cc(C)n1)c(C)n2Cc1ccc(Cl)cc1 409036085 KJXJUYBXSJVLAA-QDTIIGTASA-N 492.048 5.609 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(Cl)c1OC(C)C 409037850 NYLJPRNHINAXCW-MUFRIFMGSA-N 473.960 6.115 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1 409047736 PGYPOWKXLJAKMR-CPNJWEJPSA-N 490.357 5.321 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1OCc1ccccc1Cl 409068671 BNABZENKKXTZBU-BUVRLJJBSA-N 486.999 6.819 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1OCc1cccc(C)c1 409190217 PYLNDIKPECPFFB-NDENLUEZSA-N 483.406 5.701 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 409208317 AOKGHCVBMZPEKF-WQRHYEAKSA-N 469.722 6.654 50 40 JKGB Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 409261637 CFCSSJCXURVFDK-WQRHYEAKSA-N 490.903 5.120 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409269886 ARDGRYDYVMRZJW-MBTHVWNTSA-N 479.964 5.137 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1OC 409313350 IQDQCEYMAGWYTA-MBTHVWNTSA-N 468.912 5.395 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c2C)c(O)c1 409391501 JJORZEODAHNOGZ-LQKURTRISA-N 484.512 5.147 50 40 JKGB CCOc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccccc3)C2=O)cc1 2266208 NHJBNVAVFIGHFG-NLTRVXJZSA-N 469.566 5.150 50 40 JKGB COc1cc2c(cc1N/C=C(\C#N)c1nc(-c3ccc(C)c(C)c3)cs1)oc1ccccc12 2313177 LPQNHYJPIXUBFO-XMHGGMMESA-N 451.551 7.312 50 40 JKGB Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)s2)cc1 2348010 LTCNLKXWBQKMDN-QGOAFFKASA-N 470.510 5.756 50 40 JKGB N#CC(C(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)=C1Nc2ccccc2N1 2663688 ZVXXPGKNEQMSFK-UHFFFAOYSA-N 468.517 5.007 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(C(=O)OCc3ccccc3)cc2)o1)c1nc2ccccc2s1 9189871 RCCJASDOYQBXBS-JWGURIENSA-N 462.530 6.977 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C)c1ccc2ccccc2c1 9424384 RZHLLGKQNVDKGR-MFKUBSTISA-N 494.418 5.030 50 40 JKGB N#C/C(=C/Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 11853132 JDMOTLXXXNUOJN-FLIBITNWSA-N 474.722 7.766 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@@H]1[C@H](c2cccs2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]12 12524626 KELPOQQQEFEIOE-GDZXGLFHSA-N 473.601 6.369 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 13586198 RMCFYFPDPXUXPK-MZJWZYIUSA-N 457.357 6.043 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 14408757 BVKKHVIOBWYFQR-MZJWZYIUSA-N 473.356 5.282 50 40 JKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C 16700637 GKHBXLDXLXEPNM-MQMHFVAESA-N 462.553 5.641 50 40 JKGB C=CCSC1=C(C#N)[C@H](c2ccccc2Cl)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 19880008 NGWHSQAGOZMKNL-SQGPQFPESA-N 484.952 5.493 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1Cl 20347826 ZIYFHZIVHUGPMN-DEOSSOPVSA-N 479.001 5.690 50 40 JKGB O=C(c1ccc(Cl)cc1Cl)[C@@H]1O[C@]1(CBr)c1ccc(Cl)cc1Cl 23234503 MXBHCTXNQDNXRS-JKSUJKDBSA-N 454.962 6.172 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(F)cc1 33607393 JZRBNZWFHXHFAB-GRSHGNNSSA-N 497.320 6.538 50 40 JKGB CCOc1cc(Br)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OCC 33614032 AXEHHGXUGWPNFP-SSDVNMTOSA-N 492.351 5.133 50 40 JKGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1 44965599 CYLOSBKWALKLQA-MUFRIFMGSA-N 467.009 6.843 50 40 JKGB C/C(=N\NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)c1ccc(Cl)cc1 58925985 RPGBJYKYKXZLBT-WGOQTCKBSA-N 490.412 5.114 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1ccc(Cl)c(Cl)c1 408543915 QQZFWVGYZSVFLM-KIBLKLHPSA-N 456.285 5.052 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(-c3ccccc3)[nH]c3c(C)cccc23)c(C#N)c1C 408546113 DEBHMDRHJFWHSW-DEDYPNTBSA-N 493.588 6.280 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccc(Br)cc2)c1)c1ccc(Cl)cc1Cl 408579526 HIRBUHAGOHPPNM-LICLKQGHSA-N 459.170 7.399 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)c1ccc(Cl)cc1 408581643 YITXGHRYXWKVEJ-LFIBNONCSA-N 464.757 6.479 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)cc1 408609648 KVENPXVSBXNHRJ-KKMKTNMSSA-N 490.774 5.623 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1Cl 408691879 VQGPZXDHEXOUIF-KBKYJPHKSA-N 494.220 5.726 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 408745364 MHSCFKWHLVKYHU-YVLHZVERSA-N 457.744 6.771 50 40 JKGB N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(I)cc1 408762162 JLQDTJKVQSTPBR-KAMYIIQDSA-N 474.685 5.750 50 40 JKGB CC(=O)Oc1c(Br)cc(/C=N/NC(=O)c2cccc3ccccc23)cc1Br 408767026 UYPRPSYFEQNKNE-FOKLQQMPSA-N 490.151 5.054 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccc(Br)cc1 408767822 PEWCGUASNDVYGJ-BKUYFWCQSA-N 491.385 6.199 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OCC)c1OCc1ccccc1C#N 408796507 YMDIPTOPFZCTCH-WGOQTCKBSA-N 477.564 6.119 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)c1 408810841 MYYVBRTXIOPDEX-ZXVVBBHZSA-N 482.583 7.735 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 408857470 GXHINFLOMGNSOP-UZWMFBFFSA-N 475.592 5.588 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Cl)C(=O)Nc1ccccc1F 408872892 KSPHNXGGAYULNY-LDADJPATSA-N 469.741 6.378 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc(C)c(C)c1 408874849 DKIZMDBVNBVPAY-RGVLZGJSSA-N 464.924 6.229 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1Cc1cc(C)cc(C)c1 408876930 RSVMLFNZUCPEKF-YDZHTSKRSA-N 458.989 6.800 50 40 JKGB COc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc(Br)c1O 408883325 QQSNVFXKCQANFN-BRJLIKDPSA-N 483.387 5.117 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 408884374 YUMGCLZDXJBGEN-MHWRWJLKSA-N 492.189 7.425 50 40 JKGB CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2c(Br)cc(C)cc2Br)cc1 408892309 YNLCEDUHYFDSTJ-FOWTUZBSSA-N 491.227 5.912 50 40 JKGB COc1cccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1OC(C)C 408954481 XCRHXJNKCHAIMN-FSGOGVSDSA-N 467.569 6.012 50 40 JKGB CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)Nc4ccc(Cl)cc4)o3)sc2c1 408988636 FDCSTQMFMYUPNJ-SDNWHVSQSA-N 481.986 6.638 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc(Cl)c1O 409033292 LESZFQQOMMITEV-LGJNPRDNSA-N 478.961 5.685 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1cccc(Cl)c1 409058061 QXAQYRWAUSRQLZ-MZJWZYIUSA-N 457.357 6.043 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CSCc3c(Cl)cccc3Cl)c2C)c1 409115109 KEGVQMIUCMZBBX-RPPGKUMJSA-N 460.430 6.093 50 40 JKGB CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(Cl)c(Cl)c4)ccc32)cc1 606422421 ANCXHQQCTDWKNP-JOCHJYFZSA-N 483.376 6.153 50 40 JKGB CCc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccccc1Cl 651074 FAUIEJGBMQIJQZ-QFIPXVFZSA-N 469.006 5.994 50 40 JKGB CCn1c(SCC(=O)N/N=C/C(C)=C/c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 1836870 HKKCAUMWTSTXRM-CNBHOGIUSA-N 461.635 5.560 50 40 JKGB CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1 2209443 JGYVAYFCXWLSHW-XLNRJJMWSA-N 474.630 5.902 50 40 JKGB O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1c(Cl)cccc1Cl 3092171 UPBZLPRFJKKULV-SSDVNMTOSA-N 457.155 5.015 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3c(s2)CC[C@H](C)C3)ccc1OC(=O)c1ccccc1F 3424909 PEKRRHZBMQNKLH-FYDYWCEBSA-N 466.534 5.004 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OCc1ccccc1Cl 9202164 PSSNFFYZOQIEIY-MZJWZYIUSA-N 457.357 6.043 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 13898098 PSBAIJRBVSBCQC-STBIYBPSSA-N 458.945 6.235 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 14152153 RHGIAOFGSUXUDD-CPNJWEJPSA-N 473.985 6.277 50 40 JKGB Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1F 16741427 MYRQYEJQWBPPJF-XMMPIXPASA-N 468.532 5.438 50 40 JKGB CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC(C)C)cc2)C1=O 16741522 BJGLLODRUHSEPF-ONUIUJJFSA-N 494.595 5.719 50 40 JKGB CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2ccc(C)cc2)cc1 20232172 XEMXQMFGBRGLOY-UHFFFAOYSA-N 499.677 5.298 50 40 JKGB ClCCN(CCCl)c1ccc(/C=N\N=C/c2ccc(N(CCCl)CCCl)cc2)cc1 104341913 HQJWFFOHXOAQGJ-HJTNQMAYSA-N 488.290 5.708 50 40 JKGB S=C=NP1(N=C=S)=NP(N=C=S)(N=C=S)=NP(N=C=S)(N=C=S)=N1 104361465 GCZWTDDOBOHXTP-UHFFFAOYSA-N 483.453 6.455 50 40 JKGB Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)c(C)c1 216040263 IQAVHHSTPDJNFI-VYYCAZPPSA-N 485.809 5.991 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(I)c1)c1nc2ccc(F)cc2[nH]1 408567359 DBAOSXOSHHRIII-YVLHZVERSA-N 495.295 5.950 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1cccc(C#N)c1 408568405 TYGKISQVOLZOSH-JMIUGGIZSA-N 460.287 5.872 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Br)c1OCc1ccccc1 408580705 RBWJETSYIZSRPO-CIAFOILYSA-N 494.385 6.508 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)c1 408755213 MXCMLYPRIXSLPI-XMHGGMMESA-N 475.932 5.302 50 40 JKGB COc1ccc(Br)cc1/C=N/NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 408762438 KLUDJIRCBFHUKX-JFLMPSFJSA-N 489.454 5.841 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(O)cc1 408788214 JDUFLPPLHLDDLB-CXUHLZMHSA-N 473.743 6.477 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Br)c1OCC 408842739 AXTHMPTVTABLKT-MOSHPQCFSA-N 478.390 5.323 50 40 JKGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC 408984472 RKBMXNJLXUXCEM-NVNXTCNLSA-N 463.759 5.754 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccccc2)cc(Br)c1OS(=O)(=O)c1ccccc1 409074859 NGQWLUZWNRUSGD-CPNJWEJPSA-N 484.371 5.680 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc(Br)cc1 409131094 NAVUOANHSXNTSX-HSZRJFAPSA-N 495.373 5.242 50 40 JKGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)C(=O)Nc1cccc(C(F)(F)F)c1 409222197 VXRDAVJJINEIMP-WDZFZDKYSA-N 496.228 6.726 50 40 JKGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OCC 409251375 PUBKDYHSYZVPIW-JJBLJPBOSA-N 455.352 5.197 50 40 JKGB O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cc2cc([N+](=O)[O-])ccc2o1 409253509 VIRFCDVVOCXPBK-VYYCAZPPSA-N 456.433 5.247 50 40 JKGB Cc1ccc(SCc2[nH]nc3c2[C@H](c2cc(Br)cs2)C(C#N)=C(N)O3)cc1 662497 SAIRKSJWBABXDT-INIZCTEOSA-N 459.394 5.053 50 40 JKGB COc1cc(/C=N/c2ccc(-c3nc(C)sc3C)cc2)ccc1N(CCCl)CCCl 1705079 MZNGBSPQEUDNPZ-CVKSISIWSA-N 462.446 6.470 50 40 JKGB CCOc1cc(/C=C(\C#N)c2cccc(Br)c2)ccc1OCc1ccc(C(=O)O)o1 3017676 CLPXSCYMIYGKOJ-LICLKQGHSA-N 468.303 5.782 50 40 JKGB O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(N/N=C/C=C/c2ccccc2[N+](=O)[O-])cc1 3275567 KCZGNBGUQIFWTD-DIDYMOLCSA-N 484.472 5.043 50 40 JKGB Cc1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 6281420 YQDGDAILSZLFGK-YBYLGOMISA-N 495.988 6.850 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)c1 8811130 NHIJYXJEALYOAW-UVHMKAGCSA-N 489.355 5.362 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9057504 RQVDZQCXMVOOHO-CXUHLZMHSA-N 489.831 5.366 50 40 JKGB N#C/C(=C\Nc1ccc(Br)cc1F)c1nc(-c2cccc(Br)c2)cs1 11853117 FWBAMDRIIBLOJK-FMIVXFBMSA-N 479.172 6.451 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccccc2/C=C(\C#N)c2ccc(OC)cc2OC)c(OC)c1 12419914 NUGFOBSWFQEGJE-JFMUQQRKSA-N 452.510 5.849 50 40 JKGB Cc1c(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 14134512 SLJYDFJYXXKQBO-VFLNYLIXSA-N 494.378 5.726 50 40 JKGB CN(c1ccccc1)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 15979810 RIJWKJFYGVAVSF-SFQUDFHCSA-N 466.419 5.927 50 40 JKGB Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)[C@H](C)SCc3ccccc3)c2C)c1 20243848 ROJSVZFTKDPQLZ-SODVTCOWSA-N 498.490 6.245 50 40 JKGB CCN(CC)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)c2C)cc1 33746422 RKNXAZBSPKNZGB-CJLVFECKSA-N 497.668 6.298 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1OCc1ccc(Cl)cc1Cl 59116992 OMDBFQZCDOGMGJ-GZTJUZNOSA-N 487.770 6.780 50 40 JKGB COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1OC 83314663 IRPFYQQAJIXROT-MWLSYYOVSA-N 474.944 5.853 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Oc1nc(Cl)ncc1F 98086292 UPPFHQYXQUPUTI-CXUHLZMHSA-N 452.873 5.233 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cc(Cl)ccc3O)o2)cc1 105613841 NEWJBHFAWFBJJV-VYYCAZPPSA-N 463.921 5.389 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Cl)c1OCc1cccc(C(=O)O)c1 107675153 ZYPPKNQJGUWGLB-GRSHGNNSSA-N 473.916 5.875 50 40 JKGB Cc1ccc2[nH]c(/C(C#N)=C\c3cc(Cl)c(OCc4ccccc4C#N)c(Cl)c3)nc2c1 107910346 XYRGZEXSFOTYIC-OCKHKDLRSA-N 459.336 6.693 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 108932224 ZNBBNPAOKVYIJY-QGOAFFKASA-N 493.922 5.441 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2F)c(C#N)c1C 109046755 LQDGQEAXIFJGTE-UDWIEESQSA-N 488.540 5.542 50 40 JKGB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)[C@H](Br)[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)OC(C)=O)C1 123199440 AADCNQYPXUSRGN-QBZROKNISA-N 497.470 5.081 50 40 JKGB Cc1cc2c(cc1/C=N/NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H](C)CC(C)(C)N2C(C)C 223592569 DSSDJXHQZWOJAU-WGFYCLKKSA-N 468.623 5.646 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccc(F)cc1 408677387 QCGKPLJJQGTSPL-MUFRIFMGSA-N 481.955 5.431 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3)c2C)cc1I 408726544 OLPHJKMBPAGWNW-XDHOZWIPSA-N 481.337 5.553 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1c(C)ccc2ccccc12 408811462 VQDXOWIXYZCYLY-YZSQISJMSA-N 490.603 7.288 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)o1 408842279 ISNLVBANBSGPGP-WYMPLXKRSA-N 452.923 5.573 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OCc1ccc(F)cc1 408852983 KHHFAHKSPJXPFY-MWLSYYOVSA-N 458.489 5.652 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2ccc(Cl)cc2)cc1 408876304 NSGRSUXAQXUWKU-UHFFFAOYSA-N 462.015 5.060 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OCc1ccc(Cl)cc1Cl 408883495 TVAPXHGZKZHJQE-WKULSOCRSA-N 479.363 6.498 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 408886262 JFQRKXRRIFRNRG-KKMKTNMSSA-N 477.775 6.307 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408886963 KMNWHUHIXZJFBB-XSFVSMFZSA-N 463.449 5.513 50 40 JKGB CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1 408894932 SJCSRHFTXXMHED-MDWZMJQESA-N 450.130 5.156 50 40 JKGB C#CCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 408934125 CPYXTUIHVVTKPY-NVMPUMLXSA-N 483.571 6.382 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cn(Cc2cccc(C)c2)c2ccccc12 408993158 CKQHVOPANVEJMH-MZJWZYIUSA-N 476.374 5.533 50 40 JKGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12 409000541 XJFVPCZUFLUYCO-AOYMVWLXSA-N 471.560 6.005 50 40 JKGB N#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 409032153 IOSKCEQGKLBOKY-ZCTHSVRISA-N 456.505 5.721 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1 409052777 AKNYVEPSWAUEKF-CXUHLZMHSA-N 475.734 6.911 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)c(C)c1 409088618 GKTUFYRUKZFQBA-LICLKQGHSA-N 492.875 6.111 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)cc2c1 409185073 RKJUGJGZIIVMDN-DICXZTSXSA-N 489.484 5.091 50 40 JKGB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Cl)c(C)c1 409272361 PVFYIDLFEZKEFN-VXLYETTFSA-N 496.350 6.600 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 409371525 KTCRGLPFBYDSQG-XODNFHPESA-N 470.787 6.722 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1cccc(F)c1 409394320 YRCJXMVEEILBTO-NVMNQCDNSA-N 456.286 6.379 50 40 JKGB N#Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)[nH]c12 409395140 KHSYYBPTKMEYKG-UHFFFAOYSA-N 484.515 5.690 50 40 JKGB CCCCCOc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3Cl)n2)cc1 2096516 PURGRMQRJCMPBK-CVKSISIWSA-N 459.377 5.571 50 40 JKGB CCCCCCCCC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 2750663 RTKQOLTZJSQTKU-MWAVMZGNSA-N 452.602 6.893 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1cccc2ccccc12 9089406 FEDQMNHJQDAGHK-VWLOTQADSA-N 452.514 5.067 50 40 JKGB C/C(=N\NC(=O)COc1cc(C)c(Br)cc1C(C)C)c1ccc(Br)cc1 13881968 NEBXMPMTRBNFKT-OEAKJJBVSA-N 482.216 5.563 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1ccccc1O 14134770 RCWPVWZLKYMJES-JFLMPSFJSA-N 475.342 5.651 50 40 JKGB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(SCc2ccccc2Cl)N1 20025959 AABJKCCUKKCGGX-QFIPXVFZSA-N 487.452 6.964 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)c(C)n1-c1cc(Cl)cc(Cl)c1 28216032 UUASNNROLZNOGL-KBKYJPHKSA-N 480.848 6.438 50 40 JKGB COc1cc(/C=N\NC(=O)[C@@H](C)Oc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 32114467 CGVDJDXSHPSUDJ-BIOVLPJHSA-N 473.356 5.499 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3ccc(C(C)(C)C)cc3)nc3ccccc3c2=O)cc1 32577047 ZSPLTWPLTRFXHY-RHANQZHGSA-N 484.625 5.234 50 40 JKGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc2noc(-c3ccc(Cl)cc3)c2c1 51364651 JVRRBBRYITXIBA-ATVHPVEESA-N 457.873 5.480 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 59116933 IPUZTYYRIUMRQT-PDGQHHTCSA-N 453.325 6.127 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)c1 59201048 MJAVAYUPVXNQQH-XSFVSMFZSA-N 470.370 6.306 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(=O)Nc3ccc(F)cc3)c3ccccc23)cc1 59335847 XLGMOTGIIQDUIB-RGEXLXHISA-N 452.489 5.273 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(Br)cc1O 59336459 QJKJWBDSGYSOCJ-WDZFZDKYSA-N 456.123 5.406 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OCc1cccc2ccccc12 59447406 MXKVCFBBWWEQNX-WKULSOCRSA-N 479.363 6.498 50 40 JKGB C1=C(Sc2ccccc2)CCC[C@@H]1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 104203325 SLRMDSFTAGOGDF-NDEPHWFRSA-N 451.595 7.209 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCc1ccccc1C#N 408549795 ZCWUKQUJZLPRQZ-ROTLSHHCSA-N 495.376 7.126 50 40 JKGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2o1 408554732 UMQZILODPVUOMW-LFIBNONCSA-N 464.308 6.216 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCC(=O)Nc1ccccc1 408569463 NXRINEMMTVOEMY-YVLHZVERSA-N 490.922 5.836 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccccc1 408581694 YXSZVHDCQWDLLW-LDADJPATSA-N 467.352 6.474 50 40 JKGB C[C@@H]1Cc2cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)ccc2O1 408710819 MVFAPTMUJQRUES-COXSBDCDSA-N 454.555 5.641 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 408745765 OYIGXLGCSSBXOV-UYRXBGFRSA-N 450.897 6.002 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccc(F)cc1 408768780 JGDZLPVMZQVXDB-YVLHZVERSA-N 499.311 5.861 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 408793348 DXMLWVLEUMJIFJ-YBFXNURJSA-N 485.798 7.334 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 408794804 KADBTOOYWOTKSZ-YBFXNURJSA-N 471.347 6.414 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1cccc(I)c1 408818639 OFRNLHOOBNZLEA-BOPFTXTBSA-N 485.300 5.384 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1Cc1ccccc1Cl 408869306 BPMRHFCNBFIFGQ-YBFXNURJSA-N 485.798 7.182 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(Cl)c2)cc1 408871284 XNUQSQOIYPDNJO-UDWIEESQSA-N 465.336 5.916 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Cc1ccccc1Br 408876185 NMBOSOGUMJKNAP-XDHOZWIPSA-N 481.777 6.248 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2F)c(Br)c1)C(=O)Nc1ccc(F)cc1 408883496 VMWVDYMURONWDN-GZTJUZNOSA-N 469.285 5.852 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1cc2cc([N+](=O)[O-])ccc2o1 408965364 KRTOULXYNXADBS-DHRITJCHSA-N 494.301 5.446 50 40 JKGB CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2C)sc(C)c1C 408981422 BAFFJCGINWRLRV-NDENLUEZSA-N 496.032 6.457 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)c1C 409041195 JBHKECFYMJALJX-DJKKODMXSA-N 485.798 7.388 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1 409095086 BHQHGOWMKZZOBP-MIXAMLLLSA-N 472.997 6.687 50 40 JKGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)c1C 409147957 XEALRUTUJXOQMS-RPPGKUMJSA-N 460.430 6.093 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccc(Br)cc1 409194575 PFVXCPSZZLQSRE-UYRXBGFRSA-N 469.379 5.393 50 40 JKGB N#C/C(=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1 409212557 QQTLDAGDDLUVEX-QNGOZBTKSA-N 451.438 6.299 50 40 JKGB O=C(N/N=C\c1cccc([N+](=O)[O-])c1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 409227037 XCBUTCKXRLUCMJ-GATIEOLUSA-N 492.702 5.538 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)NCCCc1ccccc1 409245126 NVCHICAGTGIDQZ-BKUYFWCQSA-N 499.825 6.882 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1OCC 409337386 YDSUZYZLUVQKJB-MWLSYYOVSA-N 484.955 6.010 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc(-c2ccc(Br)cc2)o1 2670205 TWYVOYDAOKRDRG-MUFRIFMGSA-N 498.380 6.476 50 40 JKGB C[C@H]1CCCC/C1=N\NC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 9096985 MNZVSYXEQIYLCV-UAGDZQSXSA-N 454.379 5.090 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1nn(-c2ccccc2)c(N)c1C#N 13549155 OYYWPZPMYMUJPU-FOWTUZBSSA-N 456.303 5.413 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c(C)c1 28467563 ZKCNNZABIFVMRI-LANDENDNSA-N 484.600 5.229 50 40 JKGB O=C1Oc2ccc([N+](=O)[O-])cc2[C@@H]2c3sc(=O)n(-c4ccccc4)c3S[C@H](c3ccccc3)[C@@H]12 33354977 INXHNHDHJSVIEL-PCCBWWKXSA-N 488.546 5.321 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3c(OCc4ccc(C(=O)O)cc4)ccc4ccccc34)[nH]c2c1 34719685 RGOHVGZFQGCHTJ-JCMHNJIXSA-N 459.505 6.366 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c(C#N)c1C 35395161 UFKNESFRKUMWKW-CXUHLZMHSA-N 489.509 5.300 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 59116710 OQPYBSHPEBTBHD-AQTBWJFISA-N 467.352 6.517 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 59224836 RLMNZCQCVDVBSG-CPNJWEJPSA-N 467.352 6.517 50 40 JKGB O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)C(c1ccccc1)c1ccccc1 59410648 INDDMURHTJGGLY-STKMKYKTSA-N 470.572 6.701 50 40 JKGB O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1ccc(Cl)c(Cl)c1 59505979 YELBDYOZXKSKRL-SSDVNMTOSA-N 457.155 5.015 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 59921545 AHVXNGRBHMNMNV-LGJNPRDNSA-N 458.942 5.309 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1Cl 105883511 SEVWOWKTLVXACK-FDVSRXAVSA-N 489.365 7.515 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 107786843 ZVNKAPMANOYAOG-LQKURTRISA-N 486.597 5.287 50 40 JKGB CCCCCCCCOc1ccc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1OCC 408540738 VPUDWNCSNSQUGX-MIXAMLLLSA-N 464.528 6.607 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1cccc(C(=O)O)c1 408544327 VMFYJSLIZOISSF-UNOMPAQXSA-N 477.314 5.272 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(Sc3ccc(Cl)cc3)o2)c(C#N)c1C 408547370 VSCYGKUMLVFQOA-XNTDXEJSSA-N 496.997 6.221 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccc(Cl)c(Cl)c1 408569120 YVTSPDQZCDWGNO-PXNMLYILSA-N 468.315 6.661 50 40 JKGB COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Br)c1OCc1ccccc1 408722628 MOGXATYFKXLBLG-PYUQNASOSA-N 471.395 5.313 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1 408727610 USKCJJODEUXTQH-CVKSISIWSA-N 483.362 5.199 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccc(Cl)cc1 408783896 OUUPFFMTKUTDJQ-QNGOZBTKSA-N 475.976 5.929 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccc(Br)cc1 408788814 HVQUGRCOPXBSAX-PXNMLYILSA-N 463.759 5.122 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OC(C)C 408798020 DLAUDQMDZQRWOM-RIYZIHGNSA-N 496.732 5.286 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(Br)cc1 408806293 AIUXWWGXZIFVQJ-LGJNPRDNSA-N 450.311 5.355 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 408809461 RRFRFNRRISIZHE-XSFVSMFZSA-N 473.359 7.271 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc2c(c1)OCO2 408815442 JJPSQOIIMIJJMV-IUXPMGMMSA-N 480.879 5.341 50 40 JKGB CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)CSc2nc3ccccc3s2)c1C 408844747 FFVQXPGMNYXFPS-WGARJPEWSA-N 462.644 5.817 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1c(C)ccc2ccccc12 408852957 KDBJWJYQYMVPKD-XQNSMLJCSA-N 480.539 6.811 50 40 JKGB Cc1sc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c(C#N)c1C 408854789 BHUDASGKBVMDQR-MFOYZWKCSA-N 469.397 6.497 50 40 JKGB CCOc1cc(C)c(/C=N\NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C(C)C 408859453 UKIMWFDNKRPUHX-ZRGSRPPYSA-N 451.445 5.137 50 40 JKGB Cc1cc(C)cc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1 408880368 HMXUCAISOLNJFZ-UDWIEESQSA-N 477.358 5.896 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1ccccc1-n1cccc1 408881450 NDXGCNPQPUIKON-LQKURTRISA-N 464.352 6.127 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1OC(=O)c1cccc2ccccc12 408882038 PSRFRPKQSFAVSV-RCCKNPSSSA-N 496.950 6.575 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccc(OC)cc1 408884353 YRNYZTJFLUHWLS-RDRPBHBLSA-N 468.509 5.230 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1cccn1-c1cccc(C(F)(F)F)c1 408943161 YIHXODMUTSQHPI-RAWMCFOBSA-N 456.251 5.332 50 40 JKGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc2[nH]c3ccccc3c2c1 408978045 GUIBGUXSRJJDNR-UVKUDMKVSA-N 460.537 5.333 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1Cl 409068415 SPCJSKKCMYGILT-FYJGNVAPSA-N 493.390 6.855 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409251562 PQFSRJDBULXALB-JCMHNJIXSA-N 499.567 5.274 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(OCc4c(Cl)cccc4Cl)cc3)CC2=O)cc1 409255801 IWKJZUWELGLXFE-VKABLRQNSA-N 496.394 5.384 50 40 JKGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OCC 409315765 KNDRTIUINMNUIV-VEILYXNESA-N 460.530 5.002 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(Br)c1OCc1ccccc1 409319398 FMXWAZPYIABBNF-HMAPJEAMSA-N 470.366 7.254 50 40 JKGB N#C/C(=C\c1cn(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc12)c1cccc2ccccc12 409332220 KRRGLFWBYBNHSN-KGENOOAVSA-N 471.516 6.226 50 40 JKGB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1 409377628 JJAOSXFLTTZGHS-MOSHPQCFSA-N 489.959 5.529 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 409378897 TZDMGRNTUXYTJB-RGEXLXHISA-N 452.470 5.158 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409391573 ISFGEIHQMJEORX-VYYCAZPPSA-N 450.601 7.765 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 409391708 JOINTMJDYKUMFL-KQWNVCNZSA-N 495.623 7.490 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3)C(=O)N2c2ccc(Cl)cc2)cc1 935239 QBOUUKUTLYJESZ-YDYXIROLSA-N 473.985 5.713 50 40 JKGB COc1ccc(-c2csc(N(NC(=O)NC3CCCCC3)C(=O)Nc3ccccc3)n2)cc1 1415265 DFJRAWOQMUTHHI-UHFFFAOYSA-N 465.579 5.404 50 40 JKGB COC(=O)c1c(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)sc(C(C)=O)c1C 2197534 KQRDUOYYOCHJTH-GDNBJRDFSA-N 491.550 5.252 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(SCc3cccc4ccccc34)NC3=C2C(=O)CCC3)ccc1O 2203653 AUQFLDJUIXQQFT-AREMUKBSSA-N 468.578 5.916 50 40 JKGB Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 3082193 OBIWVKYKEVLAFR-PGHBFPSBSA-N 474.604 6.339 50 40 JKGB CCN(CC)c1ccc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)c(OCc2ccc(Cl)cc2)c1 8407237 IMHMYFDRVCRITL-PXLXIMEGSA-N 471.004 7.014 50 40 JKGB CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3s2)cc1 8590237 IAQYANGBBZIOQK-FBMGVBCBSA-N 478.577 6.458 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1ccco1 8817805 OILUURLRBOYTNL-BUVRLJJBSA-N 457.987 5.329 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(OC(F)F)cc2)cc1)c1nc2ccccc2[nH]1 9187430 FQPCVMQIYAAULC-GHRIWEEISA-N 460.440 5.246 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1sc2c(c1C#N)CCCC2 9259025 UCLNBDKZGYUPOK-LGJNPRDNSA-N 481.419 5.433 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C\c3cccc(I)c3)n2)cc1OC 9331157 WVKAEIGIFGEKHE-NVNXTCNLSA-N 474.323 5.496 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)OCc2nccn2C(F)F)c(C)n1-c1ccc(Br)cc1 9378086 FNQFMNPHTKPFIS-MHWRWJLKSA-N 475.293 5.099 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(NC(=O)c3ccccc3OC)Oc3ccc4ccccc4c32)cc1 13940369 HAGZXMLMQMAWBO-AREMUKBSSA-N 462.505 5.546 50 40 JKGB COc1cccc(COc2ccccc2/C=N/NC(=O)COc2ccc(OCc3ccccc3)cc2)c1 16228019 HSYHLBCGUKKFHV-ZCTHSVRISA-N 496.563 5.382 50 40 JKGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 20247322 GJYVZCSNKCUIEY-LLKRNFLQSA-N 481.577 5.084 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccccc1Br 20760582 MNSNOXBRCCQBAD-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB Cc1ccc(Cn2c(SCC(=O)N/N=C/C=C\c3ccccc3[N+](=O)[O-])nc3ccccc32)cc1 28351048 LOFUCTFQKBZJJM-ORSJXSHASA-N 485.569 5.209 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1Cl 33731307 UDNMRACEPQDALT-GRSHGNNSSA-N 469.324 6.943 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 33777352 FKQSRSGZBOYKJZ-MTJSOVHGSA-N 490.943 5.827 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3c(C)n(Cc4ccc(Br)cc4)c4ccccc34)[nH]c2c1 34704930 UMAWHMVRWBQWFX-ZHZULCJRSA-N 481.397 7.009 50 40 JKGB Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 34720287 ZEQXKGWRLIPXEZ-KQWNVCNZSA-N 459.509 6.610 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 35353032 CWVAYFCCOPJTNI-ZDLGFXPLSA-N 452.869 6.429 50 40 JKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 58900836 IJXMGFYIQNOWJQ-UXHLAJHPSA-N 488.503 5.917 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)cc1 59292102 FAVMIXVJETYDEI-XMHGGMMESA-N 463.331 5.582 50 40 JKGB O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 109036610 WJGMKQMRDYSHGX-OKCVXOCRSA-N 489.934 5.343 50 40 JKGB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)cc21 208466479 KFDWOTTYBAITHM-RAWMCFOBSA-N 466.796 5.808 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)ccc1OCc1cccc2ccccc12 216044258 XBRKUPCGZGKAEB-DXJNIWACSA-N 466.581 6.127 50 40 JKGB O=C(Nc1ccc(OCCBr)cc1)C1(c2ccc(Cl)cc2Cl)CCCC1 225528705 KCBZDKWUEWGNAS-UHFFFAOYSA-N 457.195 6.218 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc(Cl)cc1 408544491 WMLSQZGPNKXXLO-GRSHGNNSSA-N 498.760 6.452 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(I)c1)c1ccc(C(=O)O)cc1 408544496 UGWBDSGOYGKQPD-GRSHGNNSSA-N 499.279 5.772 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1 408724475 ALSBGKATSIQKPC-HMAPJEAMSA-N 460.961 6.480 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br 408744236 DOSOZKHNHJDWJR-MDWZMJQESA-N 496.586 5.975 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1 408792596 LHSQHSOGYZIGMZ-XDHOZWIPSA-N 465.322 6.021 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1C 408809598 OKROIIBNQOBDSH-XQNSMLJCSA-N 466.968 7.235 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1Cc1ccccc1F 408874367 APDNNIUOTZVNKN-VCHYOVAHSA-N 469.343 6.668 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1OCc1ccccc1F 408894072 IRIOSPFEGDUCQA-FYJGNVAPSA-N 478.951 6.565 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408897610 YXAWSAFHTRNVDF-YRNVUSSQSA-N 473.228 5.615 50 40 JKGB Cc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2)cc1 408898857 XYZQDIISYOZJBN-LDADJPATSA-N 451.309 6.067 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Br)cc2)c1C 408922845 GUPQYTOASDLOMX-LDADJPATSA-N 468.782 6.364 50 40 JKGB N#C/C(=C/c1cccc(OS(=O)(=O)c2ccccc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1 409064192 CBVIHNAESGLVIY-ATVHPVEESA-N 472.444 5.019 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OS(=O)(=O)c1ccccc1)c1nc2ccccc2[nH]1 409064607 HYTCYTRLINJRAI-XNTDXEJSSA-N 470.337 5.702 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1 409071080 NDLOLKFTRGICNJ-LDADJPATSA-N 499.342 5.498 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc(Cl)c1OCc1ccc(Cl)cc1 409132912 PGDGLYLRIVPONV-HXUWFJFHSA-N 471.344 5.221 50 40 JKGB CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(C)cc3C)=C2C#N)cc1 409316607 LPENIGPEDYTDND-LJQANCHMSA-N 451.617 5.044 50 40 JKGB COc1cc(C(=O)N/N=C\c2cccc(OCc3ccccc3F)c2)ccc1OCc1ccccc1 409333977 KQWMCWVDCAMFHL-MNBJERMJSA-N 484.527 5.756 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc(I)cc1 409368358 ZMRIUYUOHQYASK-LCYFTJDESA-N 476.657 6.177 50 40 JKGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 409393554 YKRWYLWVJIDAAK-JFLMPSFJSA-N 485.456 5.011 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccc4ccccc4c3)c2[C@@H]1c1ccc(F)c(Br)c1 622659 NNWYEALMKSDQPS-LJQANCHMSA-N 461.294 5.350 50 40 JKGB CC(C)(C)[C@@H]1CC=C2[C@@H](C1)[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)C2(C#N)C#N 664354 KPMDRDWXBMRHGE-WAWZGNHOSA-N 453.359 5.454 50 40 JKGB Cc1ccc(C(=O)NNC(=O)CSc2nc(-c3ccc(C)cc3)cc(-c3ccccc3)c2C#N)cc1 873657 JEPSPPZAQLNDEX-UHFFFAOYSA-N 492.604 5.457 50 40 JKGB Cc1c(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc2n1Cc1ccccc1 1805933 QLZDUGSKSXKMGV-CCVNUDIWSA-N 466.368 5.834 50 40 JKGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1 3109550 FMMMQHJZOJKOFP-MUFRIFMGSA-N 475.013 6.456 50 40 JKGB CC(C)(C)c1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O 3144597 SHDGDMRENDXAFW-NDZAJKAJSA-N 458.602 5.373 50 40 JKGB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)cc1 16035643 BCNCFLSSDVWFDV-UZLGAMDSSA-N 469.585 5.286 50 40 JKGB CCOc1ccc(/C=C2\CN(C(C)C)CC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OCC)cc2)cc1 20101841 DMEIACXFOZBZLH-CFLOSXJVSA-N 471.601 5.353 50 40 JKGB CCCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N1 20190202 GIDJDTARKZEIQZ-QHCPKHFHSA-N 482.005 5.361 50 40 JKGB N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1nc2c(s1)CCN(Cc1ccccc1)C2 25329395 PLCNJWRRFNSLLQ-LICLKQGHSA-N 469.397 5.554 50 40 JKGB Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl 28216230 FXWWYPGDRKVGKT-OPEKNORGSA-N 466.821 6.297 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 35386326 UQSJSKXPPHCZEK-AUEPDCJTSA-N 469.862 5.185 50 40 JKGB C=C(C)CSC1=C(C#N)[C@H](c2ccccc2Cl)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 40487560 CPOUODXMDAHBPD-UEXGIBASSA-N 498.979 5.883 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(I)cc2)c1C 107994462 KCHFSOMLTMQNJV-CPNJWEJPSA-N 481.337 5.553 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OC 408538299 KNVLNXCELGHJRA-SFQUDFHCSA-N 475.358 6.102 50 40 JKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(=O)O)c3)o2)c(Br)c1 408541906 GMDOGLHBRDEWIJ-RVDMUPIBSA-N 451.276 5.261 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 408580730 RLFDLDXBPOOWCT-MHWRWJLKSA-N 494.783 6.487 50 40 JKGB C[C@@H](NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl)c1ccccc1 408607021 BKRNRHLNOXUDLK-JBCPZZPVSA-N 488.346 5.039 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408734944 LUNMSIAEQUJGCB-YBFXNURJSA-N 477.904 5.690 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Br)cc3F)c2C)cc1 408744658 GJFKZVJARVPUHN-BOPFTXTBSA-N 468.326 5.550 50 40 JKGB N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1ccc(Cl)cc1 408746332 RVCCYQZHTIMWMQ-JWGURIENSA-N 461.952 7.042 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)o1 408758655 OOUWKNOSEVYIQJ-GXDHUFHOSA-N 452.264 5.471 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)o2)cc1 408760310 WKSKGJJESLYLFG-ATVHPVEESA-N 465.303 5.431 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2cccc(Cl)c2)c(C)n1-c1ccc(Br)cc1 408776764 RCGCMMRCHFBLJY-MSXFZWOLSA-N 460.759 5.039 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(OC)c1OCc1ccccc1C#N 408794780 JFJLVKLXBNFBQX-ZMOGYAJESA-N 497.982 6.382 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc2ccccc2c1 408818302 ZXAMYDTWCCHOOL-RHANQZHGSA-N 450.494 5.938 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(CN2CCc3ccccc3C2)cc1 408867363 LUQAFCQEJZTKSI-STBIYBPSSA-N 480.524 5.177 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1Cc1ccccc1Br 408868308 PNLHDZJGXIPAPE-RGVLZGJSSA-N 495.804 6.556 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c(OC)c1 408876583 QFZAZPZORGTGFJ-UDWIEESQSA-N 497.378 5.813 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)cc1 408886123 DOMWURHHUMFEKW-SFQUDFHCSA-N 487.364 5.615 50 40 JKGB COc1ccc(CCCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c(C)c1 408906657 CUSCFLNUTUQJAJ-MFKUBSTISA-N 455.352 5.499 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1cccc(C(F)(F)F)c1 408962062 GFZCYKHSRDYQPH-VPUKRXIYSA-N 485.264 6.494 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 409214442 TWOJNQDDRLQXCC-ZDLGFXPLSA-N 469.722 6.654 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 409250066 PLLVHMCXIMLAQJ-ZRGSRPPYSA-N 476.291 5.313 50 40 JKGB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccccc3)cc2Cl)c(C)c1 409252695 URHRIWPEMUNHBV-WKIKZPBSSA-N 470.356 5.392 50 40 JKGB CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OCC 409302564 JIMNAPNPIJDGSU-VEILYXNESA-N 462.546 5.226 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1)c1cccc2ccccc12 409325365 YEGYVUYUAAZRLO-STZFKDTASA-N 474.785 7.899 50 40 JKGB Cc1c(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)c(C)c1COc1ccc(F)cc1 647912 NIRVFHICRCVVHU-AREMUKBSSA-N 474.576 6.089 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)[C@H]2c1ccc(Br)s1 705434 PVKGMSMELRJDHN-IBGZPJMESA-N 454.393 5.451 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 1410488 KEAQAGUFMOBJRR-UQZLWQNHSA-N 473.548 5.014 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2ccc(C(C)C)cc2)nnc1-c1ccc(C(C)(C)C)cc1 1824068 ASHMVONWPYBQJP-JVWAILMASA-N 463.651 5.628 50 40 JKGB CCCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc([C@H](C)CC)cc3)nc3ccccc23)cc1 2109375 ORKMMMAVHJFRRW-ZFNHKAKMSA-N 479.624 7.358 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)c(C)c1 3772271 JZHHKTQKKIBDPD-KGENOOAVSA-N 484.397 6.615 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1 9906103 CHKQLKHVTXWGRL-KGENOOAVSA-N 473.359 7.271 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(I)cc1 10476099 BHXQOUAKEZEVBQ-ZMOGYAJESA-N 490.728 5.288 50 40 JKGB N#C/C(=C/Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2ccc3ccccc3c2)cs1 11853143 KMGVSPSKFKHKKE-ATVHPVEESA-N 455.892 7.612 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 14151806 LFLQUJAZFBVPHQ-XQNSMLJCSA-N 489.600 6.776 50 40 JKGB Cc1ccc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3cc(C)ccc3C)c2C)cc1 20243630 HRXWVTXYADMHEX-UVHMKAGCSA-N 498.490 6.165 50 40 JKGB Cc1c(Br)c(/C=N/NC(=O)CSCc2cccc(Cl)c2)c(C)n1-c1ccccc1 20243661 LXTOXVKJAIGPFW-BRJLIKDPSA-N 490.854 5.894 50 40 JKGB Cc1cccc(CN2c3ccccc3C3=C([C@@H](c4ccc(Cl)cc4)C(C#N)=C(N)O3)S2(=O)=O)c1 20558602 CJJGRABDUUZNGK-QHCPKHFHSA-N 489.984 5.175 50 40 JKGB CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2c(F)cccc2Cl)cc1 38680274 FJEZMLWUAASVOT-JOCHJYFZSA-N 464.880 5.315 50 40 JKGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 59136634 ARNIOTUGTRRYKE-OPEKNORGSA-N 451.788 5.220 50 40 JKGB O=C(/C=C/c1ccc(OCc2ccc(Br)cc2)cc1)Oc1ccc([N+](=O)[O-])cc1 103705310 ZQUUYOCWZULNJX-LHHJGKSTSA-N 454.276 5.555 50 40 JKGB Cc1cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)c(C)n1-c1ccc(Cl)cc1Cl 106953459 BTUZWMFJVLYKNR-VFLNYLIXSA-N 491.378 5.665 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1Cl)Nc1ccccc1F 107747299 GHLMNEIREXHAEN-WKULSOCRSA-N 475.907 5.414 50 40 JKGB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](OC(=O)CCl)[C@]45C[C@H]4CC[C@]5(C)[C@H]3CC[C@@]21C 119167247 JYFIEJVIHNYZAE-SSINARFUSA-N 463.146 7.868 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cc(Cl)ccc3N[C@H]2c2ccc(F)cc2)[C@H]1Cl 245232642 ZFEGTITZQRQEDZ-BQEPTVRSSA-N 489.399 7.426 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(Sc3ccc(C)cc3)o2)c(C#N)c1C 408546157 DNYXJQTVHLCMTI-GZTJUZNOSA-N 476.579 5.876 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1OCc1ccc(C)cc1 408567454 DZPHJVYFGISHJI-NVMNQCDNSA-N 492.348 6.425 50 40 JKGB Cc1ccc(COc2ccc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)cc2)cc1 408569472 OADYDEGDDIGXOV-JVWAILMASA-N 478.639 5.582 50 40 JKGB Cc1c(/C=N/NC(=O)c2cc(Br)ccc2O)c2ccccc2n1Cc1ccc(F)cc1 408586434 CBKXVAOOVCTOQC-UVHMKAGCSA-N 480.337 5.369 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)CC2=O)cc1C 408612237 XZNJUBKECIJOTR-LJQANCHMSA-N 498.410 5.685 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(OCc3ccccc3C#N)cc2)c1C 408743862 HSPVIRSSFXBBRI-PKAZHMFMSA-N 486.575 6.399 50 40 JKGB N#C/C(=C\c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccccc1 408763359 NCCHSOFXJUXEJF-FCDQGJHFSA-N 468.512 6.758 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1O 408799172 GVYLCSPLBMCTLZ-NYYWCZLTSA-N 470.548 5.425 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(OCc2cccc([N+](=O)[O-])c2)c1 408805656 BLSRKHJDERTPMY-XDHOZWIPSA-N 477.904 5.690 50 40 JKGB COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2)ccc2ccccc12 408924634 NICXOFNTBHTURE-OQKWZONESA-N 462.505 5.751 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2cccc(Br)c2)c(C)n1-c1ccc(C(C)(C)C)cc1 408967421 QNPITJYOZVACMP-DICXZTSXSA-N 482.422 5.683 50 40 JKGB CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C 409056177 KYWZYUFPIXTQIT-CXUHLZMHSA-N 492.211 6.163 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1OCc1ccccc1Cl 409069064 VTOSYWOVECKHDZ-KGENOOAVSA-N 493.390 6.855 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1OCc1ccccc1F 409073267 LRHUDIHIGWOYPH-HYARGMPZSA-N 490.962 6.731 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 409227729 VUFVHNRVLSKURV-XDHOZWIPSA-N 475.932 5.220 50 40 JKGB Cc1ccc(COc2ccc(/C=N\NC(=O)Cc3ccc(F)cc3)cc2Br)cc1 409248658 HTCQUCPEVKIUAF-WGARJPEWSA-N 455.327 5.168 50 40 JKGB N#CC1=C(SCc2ccc(Cl)cc2Cl)NC(=O)C[C@@H]1c1cccc(Br)c1 409320336 CTQUUMUPFVVSDX-OAHLLOKOSA-N 468.203 6.028 50 40 JKGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(Cl)c3)=C2C#N)cc1Cl 409320970 DAYYOXGPKGYUHI-OAHLLOKOSA-N 476.385 5.021 50 40 JKGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 409361548 HPHBUUXKKLQIOJ-KKMKTNMSSA-N 462.764 5.788 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)cc1 585145845 WBSOGOCKXCLARZ-RGAPYFAHSA-N 473.576 6.425 50 40 JKGB c1ccc(SCCP(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 1634942 LFCOMJNOKDTFKR-UHFFFAOYSA-N 458.547 6.719 50 40 JKGB c1ccc(CN2CCC3(CC2)SSC2(CCN(Cc4ccccc4)CC2)SS3)cc1 1695760 AUQNOKYVIFHLOF-UHFFFAOYSA-N 474.786 6.747 50 40 JKGB in-vitro CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)sc(C(C)=O)c1C 2335069 DKEPUDYUVRHBBF-WQRHYEAKSA-N 465.600 6.153 50 40 JKGB COc1cc2c(cc1OC)[C@H](COc1cccc(C(F)(F)F)c1)N(C(=O)CCCCl)CC2 2451523 WWDSNAOQWOVXEH-IBGZPJMESA-N 471.903 5.246 50 40 JKGB CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)cc1 2669918 WXZJHQITWUWNHL-HKOYGPOVSA-N 454.526 5.768 50 40 JKGB CC(/C=C/c1ccccc1)=N\NC(=O)c1nn(Cc2ccc(Cl)cc2)cc1Br 8780763 KCOQNAGACPOTJW-RVIPASMDSA-N 457.759 5.166 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(C#N)cc1 9833760 PMBKDEAQPFLMAR-RGVLZGJSSA-N 488.341 5.454 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OC(=O)c1cccc2ccccc12 9846795 JYZQEOFBJFZBAS-VUTHCHCSSA-N 452.510 5.151 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)NCCc1c[nH]c2ccccc12 9906091 FBBLWJNEVKMXDK-GZTJUZNOSA-N 459.889 5.045 50 40 JKGB N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 16526088 BAKBUVLXZLWFFW-BOPFTXTBSA-N 451.463 6.042 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 20197572 RRCBTDRQVPRBTG-ZCTHSVRISA-N 461.565 6.396 50 40 JKGB CC(C)c1ccc(-c2cc(C(=O)N/N=C/[C@H](C)Cc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 20550411 PDSJUVKGQBNLPL-UHCIHMBKSA-N 479.580 6.348 50 40 JKGB CCn1c(SCC(=O)N/N=C\c2ccc3c(c2)c2ccccc2n3CC)nnc1-c1ccc(C)cc1 30743253 NMNZMXATYCUQEV-RHANQZHGSA-N 496.640 5.644 50 40 JKGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 32522853 UUIAPXCNRMCJDI-RPPGKUMJSA-N 485.396 5.691 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCC(=O)Nc1ccccc1 33378864 VGHZAVMMVXNHID-PDGQHHTCSA-N 450.897 5.959 50 40 JKGB Cc1cccc(COc2ccc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)cc2I)c1 33740608 HNBKWZNHPFMDKN-JAIQZWGSSA-N 496.304 6.151 50 40 JKGB N#CC(=C\c1cn(CCCOc2ccccc2)c2ccccc12)/C(O)=N/c1nc2ccccc2s1 41120730 CGHALPWPKIVQRU-LVZFUZTISA-N 478.577 6.915 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)ccc1OCc1ccc(F)cc1 58980173 FGRLXURQWAOLFJ-MUFRIFMGSA-N 487.487 5.023 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl 59116817 LNRQZARGZNMMJM-ATVHPVEESA-N 485.342 6.656 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)Nc1ccccc1Cl 59117305 JFWKVWDIAWWGBF-SFQUDFHCSA-N 480.782 7.195 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccc(Br)cc1 408548215 DYISYSBTHSFBIA-MYYYXRDXSA-N 484.393 7.644 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n(-c3cccc(C)c3)n2)cc1 408728077 ZPDZAWQDTOOOAX-NDZAJKAJSA-N 460.537 5.773 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c(C)c1 408789071 NWHJOYXLOMBAFF-VXLYETTFSA-N 469.343 6.874 50 40 JKGB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Br)cc1 408797920 HHHKUWRHCMDSTJ-NIHKJWTPSA-N 453.380 5.630 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)c1 408805692 BVYMSUHHJTVXCH-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1 408813597 XZZNIMVJJBLKMF-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2sccc2C)c2cc(Cl)cc(Cl)c2)cc1 408825454 DEPVYSSAIQMOKP-WYMPLXKRSA-N 496.441 5.017 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C)c(C)c1 408869479 SAOISFFUVIHUBN-CIAFOILYSA-N 480.486 6.456 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Cc1ccccc1Br 408874467 CDMYHYOQJPCXLE-DEDYPNTBSA-N 495.804 6.638 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Cc2ccccc2Cl)c1 408883821 RCAHKWFDKKWJEN-VCHYOVAHSA-N 471.771 6.792 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1OCc1cccc2ccccc12 408884587 ZUIRNXPQVUNUKJ-XQNSMLJCSA-N 493.519 6.190 50 40 JKGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccccc2Cl)c(Br)c1 408886073 DAYOEGPJPGTZKX-XYOKQWHBSA-N 454.549 5.719 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1cccc2ccccc12 408886794 MCRSYJBCISRWCW-IPPBACCNSA-N 483.782 7.143 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Br)c(OC)c1 408888943 CYQUAZUOTQFDKG-KGENOOAVSA-N 491.385 6.145 50 40 JKGB CCc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)cc1 408931089 HBEWQKGYIGGFGC-UCMJSZAQSA-N 494.683 7.280 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408937071 MHRNPIHXZDEQME-UQQQWYQISA-N 494.978 7.044 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 409255454 ZWJPQDOGRJBWMB-FUSDPXDGSA-N 482.367 5.076 50 40 JKGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1Cl 409310884 CKJWBGYOKBLLAF-MWLSYYOVSA-N 497.378 5.747 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(I)cc1 1189389 KKRVJIRIFIBRGD-SFQUDFHCSA-N 485.300 5.384 50 40 JKGB C[C@H]1C[C@@H](N(NC(=O)C(F)(F)F)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 2274597 BAMJKXHZEOGFMC-HTAPYJJXSA-N 453.464 5.267 50 40 JKGB CCCCc1ccc(OCC(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)cc1 3144747 SDWXBIHAJHLLFC-OGLMXYFKSA-N 495.417 5.900 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccccc1 8837335 RRNLLMBPOLHIOY-OVVQPSECSA-N 476.005 5.529 50 40 JKGB CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)c1ccccc1)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 12250278 QVTFAJCLXXDVTQ-QHCPKHFHSA-N 473.554 5.276 50 40 JKGB CC[C@@H]1CCc2sc(C(=O)N/N=C/c3ccc(N4CCC(c5ccccc5)=N4)cc3)cc2C1 12634298 RQCGABMOABOCJB-AZFHEMCLSA-N 456.615 5.641 50 40 JKGB COc1ccc(-c2nn(CCC#N)cc2/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 12933500 GFHFEXALGQAQHA-SFQUDFHCSA-N 465.435 5.037 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 20765042 FEINLMLWUOJFAG-WKULSOCRSA-N 480.395 6.467 50 40 JKGB O=C(COc1ccc2ccccc2c1)N/N=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 32111947 CZZKHFSUBDGMNS-FDVSRXAVSA-N 479.363 6.255 50 40 JKGB CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC 33493064 VTVJMMCXXQAXJG-MIDUAYCOSA-N 461.927 5.413 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc2c(c1)OCO2 59335360 LEKSZRRGMANCNX-OCKHKDLRSA-N 476.916 5.510 50 40 JKGB COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(O)CCCC3=N2)cc1 102601129 QMKBTXKIUUUIBO-QHCPKHFHSA-N 479.989 5.990 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@H](Nc1ccccc1Cl)c1ccccc1Cl 104807983 KCCICCNXOFTXBG-VWLOTQADSA-N 452.321 7.118 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OCc1cccc2ccccc12 209488476 XHDOIZWOBNYOPD-MFKUBSTISA-N 498.420 7.953 50 40 JKGB Cc1ccc2c(c1Cl)N[C@H](C(=O)O)[C@@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21 254029412 YCLFNFMIGLHWRQ-IINUINLASA-N 453.347 5.307 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(OCC)c1OCc1ccc(C)cc1 408550663 ITAYBJWSPCGXTD-YKQZZPSBSA-N 459.589 7.919 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)cc1OCc1cccc(C)c1 408568999 LVPBYMJEHDMJPN-NVMNQCDNSA-N 492.348 6.425 50 40 JKGB CCc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccc(Cl)c(Cl)c4)c3)CC2=O)cc1 408609759 RWPDKNNIBDUIOR-IBGZPJMESA-N 498.410 5.631 50 40 JKGB Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408613386 ZMSJOMHRTVNZIC-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cn(CCSc3ccc(Cl)cc3)c3ccccc23)c1 408780467 ZGEHCWBWHMWXMK-PGMHBOJBSA-N 486.040 7.250 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3c(C)ccc4ccccc34)ccc3ccccc23)cc1 408801305 UZTKYWHRGMOQLA-LGUFXXKBSA-N 482.583 7.735 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl 408805111 DWEJPQUTXKHCSO-FYJGNVAPSA-N 487.386 7.580 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1cccc(Cl)c1 408808784 GBWXLASDRFKNOF-YBFXNURJSA-N 497.378 6.525 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(C)c(C)c1 408819647 ZWOFBRDRENDRAW-MFKUBSTISA-N 454.570 6.444 50 40 JKGB CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 408824061 GTJZXBFSTVRYPJ-OQKWZONESA-N 482.967 7.017 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccc(Cl)cc1 408897209 QSDIDZGJOGSBDE-LQKURTRISA-N 458.901 5.485 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1Cl 408983900 OBFSLWGLWALQPX-IUXPMGMMSA-N 489.761 7.219 50 40 JKGB CCOc1ccc2nc(Sc3ccc(/C=C(\C#N)C(=O)Nc4ccc(C)c(Cl)c4)o3)sc2c1 408988550 DTFJTNWRANRCCJ-XNTDXEJSSA-N 496.013 6.947 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCC#N 408990176 NCKFUSBKARCCHJ-YVLHZVERSA-N 470.754 5.587 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3cccc4cccnc34)c([N+](=O)[O-])c2)cc1 408991078 MOTCMRKYZCKATJ-XSFVSMFZSA-N 466.522 6.148 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Cl)c1OCC(=O)Nc1ccccc1 409044157 BBLNRQPMXFGDRU-LDADJPATSA-N 473.916 5.962 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1)C(=O)Nc1ccccc1 409053471 CVOAPGAUUQWNLF-LICLKQGHSA-N 457.744 6.771 50 40 JKGB Cc1cccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)c1 409398269 SBJMIDPDUQXOKZ-UHFFFAOYSA-N 473.532 6.126 50 40 JKGB O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C/c1c[nH]c2ccccc12 1300386 VUNBWLSUVQEBAM-CCVNUDIWSA-N 473.989 5.462 50 40 JKGB CN(C)c1ccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 1824184 BNSZIVSNEMYKPE-AFUMVMLFSA-N 493.683 5.292 50 40 JKGB Cc1cc(OCC(=O)N/N=C2\C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O)c(C(C)C)cc1Cl 2157752 MECFXWSITITNCE-SGWCAAJKSA-N 459.030 6.151 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccccc1Br 3232363 CYYRNFRCJVLTMI-QGOAFFKASA-N 451.295 5.713 50 40 JKGB O=C(O)c1cccc2c1N[C@H](c1ccccc1F)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21 6445650 PTUQDKITXDSGSS-MJZWAZDZSA-N 498.963 6.471 50 40 JKGB CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cc(Br)ccc1OCc1ccccc1 9296307 UKINFNIAZCRRNN-XMMPIXPASA-N 476.374 5.312 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 9668273 GYBQKEICBACDCJ-RGVLZGJSSA-N 452.337 6.679 50 40 JKGB COc1ccc(C(C(=O)NN(C(C)=O)c2ccccc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1 12364116 ZBPXFZJXEXSDJY-UHFFFAOYSA-N 486.518 5.392 50 40 JKGB C=CCc1ccc(OCCOc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OC)c1 13898287 ZWEVSFUCNYUPDY-LYBHJNIJSA-N 468.553 5.736 50 40 JKGB N#C/C(=C\c1ccccc1)C(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1Cl 15906283 ZKHZSHRZUMZYOD-LFIBNONCSA-N 472.353 5.340 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 19877179 GOQUGHVOBZVAQR-YBFXNURJSA-N 467.352 6.435 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Br)c3)c2C)cc1 20764247 GGTROXKKHIBVFO-AFUMVMLFSA-N 454.368 5.328 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1cccc(C(=O)O)c1 33475157 KYZLRNINJPMWFK-ZDLGFXPLSA-N 467.308 5.816 50 40 JKGB COc1cccc(/C=C(/C#N)c2ccc3ccccc3c2)c1OCC(=O)Nc1ccc(F)cc1 35375938 CZEXKVLPWVYXCF-KQWNVCNZSA-N 452.485 6.069 50 40 JKGB N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 44827410 WDYTUXUKGPBBAO-ACAGNQJTSA-N 496.298 5.357 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1cccc(C)c1 107695282 JXFGSTZHRPZXGV-ODLFYWEKSA-N 452.323 6.548 50 40 JKGB CCCCCCCCCCCCCCCCCCCCCC[Si](OCC)(OCC)OCC 199639237 CHDXIRWZZHEOTN-UHFFFAOYSA-N 472.871 9.857 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl 408540929 CWPREXLTNGXOPP-ZROIWOOFSA-N 480.307 5.833 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)c2ccc(Br)cc2)c1 408578964 CAVQTRYSFSPGPU-XDHOZWIPSA-N 481.777 6.493 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1cccc(F)c1 408745905 AUJIRNPJQBFHEN-JMIUGGIZSA-N 450.897 5.290 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\C2=C(C)[C@H](c3ccc(OCc4ccccc4)cc3)C(C)=C2)c1 408746633 UMQDCJFBNGATJR-BMZLMQSUSA-N 490.603 7.113 50 40 JKGB CCOc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc4ccccc4c3)cc2)cc1 408754699 LGIBDADYAXBIDN-JJIBRWJFSA-N 491.547 5.802 50 40 JKGB Cc1c(C(=O)O)cccc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)o1 408767416 XILKKGBTQUAXLC-UVTDQMKNSA-N 451.276 5.261 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(F)cc1 408792679 BXLQDSRRIDAMBU-LICLKQGHSA-N 471.315 6.266 50 40 JKGB Cc1cc(/C=N/NC(=O)Nc2ccc(Br)cc2)cc(C)c1OCc1ccc(F)cc1 408859838 ZTDPINACIXVFBB-LGJNPRDNSA-N 470.342 5.940 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3F)ccc3ccccc23)cc1 408874445 BNBLTPUVFDBRLH-PTGBLXJZSA-N 450.513 6.514 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2Cl)cc1 408884852 YQARGZBHIRJIPI-DEDYPNTBSA-N 480.973 5.579 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1ccc(C)cc1 408891229 NFGYZEFWZCXSBI-RDRPBHBLSA-N 452.510 5.530 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccc(Br)cc2)c1 408936998 LXTADVYSJGLTTK-STZFKDTASA-N 461.359 6.136 50 40 JKGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1 408981312 VQKBXOVJHDZDAU-KWAQJPELSA-N 495.554 5.416 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3cccc4cccnc34)c([N+](=O)[O-])c2)cc1C 408992304 RMURGRBLYXDXEJ-KGENOOAVSA-N 480.549 6.457 50 40 JKGB Cc1ccc(COc2ccc([C@@H]3C(C#N)=C(N)N(C)C4=C3C(=O)CCC4)cc2Br)cc1 409124114 GUZNRVHBAIMWMX-HSZRJFAPSA-N 478.390 5.067 50 40 JKGB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1 409226556 UOHBLTGGONDSSX-UZRTWBFMSA-N 484.295 5.284 50 40 JKGB O=C(N/N=C\c1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1Cl)c1ccc(Cl)cc1Cl 409227335 XSDQBHJBTKDRHJ-GATIEOLUSA-N 492.702 5.538 50 40 JKGB C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 409247876 OPILWLKDBXXVSY-RHANQZHGSA-N 491.519 5.133 50 40 JKGB CCn1c(SCC(=O)N/N=C/c2c(Cl)cccc2Cl)nnc1-c1ccc(Cl)cc1 1840863 FCPHAVGBVNAIBK-AUEPDCJTSA-N 468.797 5.168 50 40 JKGB CN(C)c1ccc(/C=N/NC(=O)CCn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1 1948119 IWPAGRYCRFFRHW-JFLMPSFJSA-N 453.373 5.708 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCc1cccc(C#N)c1 9202358 HQBNRDWYNVJUHK-RWPZCVJISA-N 492.373 5.371 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1 9311426 DDIZDWJIKIFYFC-FJEPWZHXSA-N 490.909 6.029 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c(C)n1-c1cc(C(F)(F)F)ccc1Cl 15981151 UELBPGLOVNHVCT-LICLKQGHSA-N 487.865 6.010 50 40 JKGB Cc1cc(C)cc(OCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)c1 18210761 RIMJEULAAFZGOV-VULFUBBASA-N 467.363 5.174 50 40 JKGB C[C@H]1Cc2cc(-c3nn(-c4ccccc4)cc3/C=C(\C#N)c3nc4ccccc4n3C)ccc2O1 26841807 PNKQLVFIOIRKSA-QZMYASAMSA-N 457.537 5.814 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1F 59116940 MRVXBEKOFIKGTK-UYRXBGFRSA-N 450.897 6.002 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C2\C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)c1 59145945 SHTZIFSKOOHEGW-FLFQWRMESA-N 486.369 5.529 50 40 JKGB O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)Nc4ccc(Oc5cccc6ccccc56)cc4)[C@@H]13)[C@H]2Br 101052587 ZUSLMGRVOGXUNI-OMIWWWDHSA-N 478.342 5.142 50 40 JKGB O=C1OC(=O)[C@@H]2[C@@H]3c4ccccc4[C@@H](c4cc5c(cc43)C3c4ccccc4C5c4ccccc43)[C@@H]12 104201007 GKTGYQBTOQNKNB-RUCXHNRFSA-N 452.509 5.580 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(C)n(-c3c(C)cccc3C)c2C)c(C#N)c1C 408546719 NWTVYONJVIFCRF-WSDLNYQXSA-N 485.609 5.848 50 40 JKGB COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2OC)cc1Cl 408604449 JIXDEAFQEZUNBR-GZTJUZNOSA-N 488.931 5.315 50 40 JKGB CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(Cl)c1OCc1ccc(Cl)cc1 408691833 SVMYXERAIONAPQ-JAIQZWGSSA-N 478.379 6.928 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1ccccc1Br 408755724 MOZBWEFLEWWHKP-SFQUDFHCSA-N 481.733 5.867 50 40 JKGB CC(C)NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 408771235 DSOZTMOUPGDUOR-NVNXTCNLSA-N 468.178 5.766 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C\c2cn(CCSc3ccc(Cl)cc3)c3ccccc23)cc1 408789033 IJWKGASUBFZWHP-FXBPSFAMSA-N 486.040 7.195 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408798868 XKQCTFCHXLDAIX-UDWIEESQSA-N 481.379 6.825 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 408804072 CNYJRCBQGPXKFG-CJLVFECKSA-N 480.495 5.890 50 40 JKGB Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1 408804531 YCKOFXOAACJJAV-XQNSMLJCSA-N 466.968 7.235 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)ccc1OCc1ccccc1C#N 408805045 CQZDAGHKJZGHCA-CIAFOILYSA-N 487.943 5.744 50 40 JKGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 408817851 ODEYSBVJDLNCDV-DXJNIWACSA-N 497.982 5.891 50 40 JKGB Cc1cc(C)cc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)c1 408850105 GCHDAXWCAGNCTI-ZMFRSBBQSA-N 464.363 5.984 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(-c3ccccc3)cc2)c1C 408862659 IGWVBDXLOFZANL-LFVJCYFKSA-N 481.983 6.969 50 40 JKGB Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2Br)cc1 408981223 AFGXYEWOXHALIW-JAIQZWGSSA-N 495.804 6.844 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1OCc1cccc(F)c1 409070134 KQTXJULJLHPHRG-HZHRSRAPSA-N 486.543 6.086 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OC)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409083957 WUYPURULBSNSHD-LDADJPATSA-N 498.451 6.238 50 40 JKGB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N/N=C\c1cn(C(C)C)c2ccccc12 409162350 DCHIPIUESDOTNT-AJSHSEQYSA-N 487.431 5.824 50 40 JKGB O=C(OCc1ccccc1)[C@@H]([C@H](Cl)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 1634183 HFJBLPMMCYRPGA-FQLXRVMXSA-N 470.012 6.781 50 40 JKGB N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1 1790098 DUTBBNPJXUJFSB-CKVBZJJFSA-N 477.948 5.544 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCC(=O)c3ccc(C)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1 2202825 WSJZOMKUUIXKRA-VWLOTQADSA-N 472.610 5.685 50 40 JKGB O=C(CSCc1ccccc1Br)N/N=C/c1ccc(OCc2ccccc2)cc1 3090421 DFWYYNMXPTYARD-AFUMVMLFSA-N 469.404 5.412 50 40 JKGB COc1cc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)[nH]n2)ccc1OCc1ccccc1 9087904 QHSXRYLLMYAVFQ-OCSSWDANSA-N 492.535 5.287 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(C(=O)O)cc1 12411590 WWXJADOSLKFBBV-HMAPJEAMSA-N 456.498 5.217 50 40 JKGB COc1cc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)ccc1OC(=O)c1cccs1 13943675 SUDDOQNPUIHOSS-OGLMXYFKSA-N 486.549 5.172 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 14152212 CFPPDFGAPXQQKV-UKTHLTGXSA-N 478.917 5.866 50 40 JKGB CC(=O)N(/N=C/c1ccc([N+](=O)[O-])o1)c1cc(-c2ccccc2)c2cc(Br)ccc2n1 15161879 RIFUESJESUDJKI-ZMOGYAJESA-N 479.290 5.553 50 40 JKGB CCC(C)(C)c1ccc(OCCCC(=O)N/N=C(\C)c2ccc(C#N)cc2)c(C(C)(C)CC)c1 15911647 KTHSWENTHHBCTA-NJZRLIGZSA-N 461.650 6.633 50 40 JKGB COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)ccc1OCc1ccc(Br)cc1 16322153 RVTMRBOHRRRDDP-CIRUFVMISA-N 499.430 5.668 50 40 JKGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C(/C)c3cccc4ccccc34)cc2)cc1 33850011 BPPKCWPHNQBVKS-USHMODERSA-N 487.581 5.193 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc34)[nH]c2c1 33873505 BRLUFBAALQOPQM-QNGOZBTKSA-N 460.493 6.576 50 40 JKGB COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1 38683548 OUKTYJBLWGPCFU-AREMUKBSSA-N 476.488 5.064 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc(C(F)(F)F)c1 59302967 KBJFXLLRKLIIGL-LCYFTJDESA-N 484.724 7.930 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Cl)c(Cl)c1 59335914 PGQGIXQYCVUVLP-OQLLNIDSSA-N 479.194 7.253 50 40 JKGB N#C/C(=C/Nc1ccccc1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 100057197 UBXYUAZPYIWATF-KAMYIIQDSA-N 450.317 5.656 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cccc(Br)c1 108233531 OTTWTJAUBSYTPO-FMIVXFBMSA-N 462.130 6.562 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1cccc(C(=O)O)c1 408541673 HBSQHCRRWCHRNP-JMIUGGIZSA-N 463.873 5.388 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2F)ccc2ccccc12)c1ccc(Br)cc1 408579703 JRQUEGXFHYYTBM-RCCKNPSSSA-N 458.330 7.385 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1-c1cccc2ccccc12 408725483 QBFKXTQYSOAVQV-RDRPBHBLSA-N 475.508 5.673 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1Cl 408735040 MQMYKQPDPYPOGK-YBFXNURJSA-N 481.777 6.536 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 408746808 VXYSKPIZJSYKFD-SXGWCWSVSA-N 492.189 7.425 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(I)cc1)C(=O)Nc1ccccc1 408791655 AHUWOBSVWWHXDJ-XMHGGMMESA-N 480.305 5.416 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 408809570 OHUSKNZEJPJYEI-XDHOZWIPSA-N 464.880 5.390 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OCC)c1OCc1cccc(C)c1 408815557 RRHKOPDICCTITH-PKAZHMFMSA-N 496.607 5.933 50 40 JKGB CCOc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C 408851909 BLIFCRISFARGAI-MXAYSNPKSA-N 454.914 5.000 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1F 408878190 XSBJBWFGBLIWKK-MHWRWJLKSA-N 475.734 6.911 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1c(Cl)cccc1Cl 408889412 GJPKYDIGFCZOKK-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 408894712 ITSZIGLRMXWNGN-NBVRZTHBSA-N 497.370 5.071 50 40 JKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccccc3)o2)c1 409003943 VZYIHLCJFWBCCE-WJDWOHSUSA-N 453.361 6.356 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1cccc(C)c1 409007065 MRPCEFOJQBHIOJ-HYARGMPZSA-N 469.541 5.184 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)c1nc2ccccc2[nH]1 409070353 YSIZVECJYSRNOE-FOWTUZBSSA-N 480.343 5.157 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1OCc1cccc2ccccc12 409072117 BJIUPXFZTCYVJT-KOEQRZSOSA-N 471.560 7.096 50 40 JKGB O=C(N/N=C\c1cn(CCOc2ccccc2)c2ccccc12)c1cc2c(ccc3ccccc32)o1 409218928 YOGOGWAKLKRERY-DXJNIWACSA-N 473.532 6.384 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)c1 409267478 VUWLGRGOCMVXDD-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB CCOc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3)nnc2-c2ccccc2)cc1 2193981 QOVFFHFAHAMBLC-CCNGYCBBSA-N 483.597 5.241 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2c(C)n(Cc3cccc(Cl)c3)c3ccccc23)c1 8811218 GZCANJBSSUAUNM-RWPZCVJISA-N 461.949 5.433 50 40 JKGB C/C(CCc1ccccc1)=N\NC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 8843157 MQNDSEODKDSYQW-XAYXJRQQSA-N 477.630 5.008 50 40 JKGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1c2ccccc2cc2ccccc12 8843173 LMCRVVGYSOQTLX-FDAWAROLSA-N 458.586 6.946 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccccc2)N1 12250850 DQBMHZNAABODBC-AREMUKBSSA-N 498.583 5.532 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc(Br)c2)sc2c1CCCC2 12565159 SJDKYAHQPATFKT-GXDHUFHOSA-N 459.365 5.112 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1cccc(Cl)c1 13895479 HGNRNPRQBHRQDI-KBVAKVRCSA-N 498.966 6.981 50 40 JKGB Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CSCc2ccccc2Br)c1C 28216095 HIKTXSPJXNMTQG-LGJNPRDNSA-N 484.463 5.857 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 28216730 PHFCQGANDKRSKY-FCLYZYNOSA-N 460.430 6.173 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCC(=O)Nc1ccccc1 34837878 FJKUWBZMORTDGN-QRVIBDJDSA-N 468.940 6.583 50 40 JKGB Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)cc2c1O[C@H](C)C2 40022336 NFHGQXGZDPYELG-OGTCDWKQSA-N 471.564 6.122 50 40 JKGB Cn1cccc1P(=NC(=S)NCc1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 97983630 ZNKQHLXMRLODKZ-UHFFFAOYSA-N 463.974 5.231 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 136983168 BPNWWIFBZJNXNE-LDADJPATSA-N 494.809 7.504 50 40 JKGB COc1cc2c(OC)cc1[C@H](Br)[C@@H](Br)c1ccc(cc1)[C@@H](C)[C@H]2C 254851228 IXOJPPZTKGLJHW-YLYZPZNOSA-N 454.202 6.497 50 40 JKGB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)C#C[C@H](C)C(C)C)CC[C@H]4[C@@]34CC[C@]2(C1)OO4 257349688 QICKSUTUHBCJRE-WPBMTJSOSA-N 470.694 6.716 50 40 JKGB Cc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)cc1 408580722 RGRXGRKZKDKIHE-FYJGNVAPSA-N 461.359 6.148 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)N1CCc2ccccc21 408603685 GSWZBTBWBPSVRS-HZHRSRAPSA-N 492.579 5.611 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C\c4ccc5c(c4)CC(C)(C)O5)cc3)cs2)cc1 408710929 XSQJBESHSYPBLY-MWLSYYOVSA-N 482.609 6.340 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)ccc1OCc1cccc2ccccc12 408723466 VKGBMJKXAQFSBP-UBZMQVGWSA-N 456.586 6.094 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2Br)cc1 408758600 NNEXREMAUMOHOJ-SAPNQHFASA-N 477.314 5.223 50 40 JKGB CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2c1 408768896 LFOUERSTIWVSOG-LGMDPLHJSA-N 465.347 5.945 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(C)n1-c1ccc(Br)cc1 408784419 BTBAKJSAXUWKBY-WGOQTCKBSA-N 461.363 5.411 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1Cl 408802077 CRCQTAFAERWHGC-VCHYOVAHSA-N 455.316 6.566 50 40 JKGB Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1C 408805235 FDZJEKNVLHXRFK-SRZZPIQSSA-N 465.380 7.043 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2ccc3ccccc3c2)c1Cl 408808261 FJKAAPMBTSEQOA-CCVNUDIWSA-N 496.350 6.424 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 408819686 REOBZXCRJULSKQ-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1Cl 408851464 KFHJXVXLIKHBSU-RMORIDSASA-N 468.134 5.831 50 40 JKGB COc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 408869083 QQZCYDNDGFQFQW-NYYWCZLTSA-N 473.097 5.152 50 40 JKGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)n1 408975634 BOWDGIIJYJFELL-XDHOZWIPSA-N 459.347 5.513 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(C)cc1 408983086 KGJZQUWWAOSLDU-JAIQZWGSSA-N 481.379 6.744 50 40 JKGB Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 408994626 GUVOOMUKRBSQBJ-APTWKGOFSA-N 491.566 6.729 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OCC(=O)Nc1ccccc1 409044013 AKRCYIZYKJRGNA-LDADJPATSA-N 472.932 5.697 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(O)cc1 409045576 ZJKWJGAGNFZUBV-LZYBPNLTSA-N 473.743 6.477 50 40 JKGB C#CCOc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(C)cc3)n2)cc1 409049332 ZDAXLMZGUMIZSB-OGLMXYFKSA-N 466.566 5.638 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OS(=O)(=O)c2ccccc2)c1 409067352 OZQFPXWIHPNALQ-GZTJUZNOSA-N 487.364 5.615 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 409073348 MLPCSDXLMQIVIF-LFIBNONCSA-N 475.309 5.733 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1ccc(Cl)cc1 409194949 REZMYYJDEQMHQR-KBKYJPHKSA-N 451.712 6.129 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1OCc1ccccc1 409228200 VVBZLBLMAKUETD-UGHLTKRUSA-N 452.554 5.787 50 40 JKGB Cc1cc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c(C)c1 409241420 XMJDUDTZYSKZEP-MTJSOVHGSA-N 451.492 6.584 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1cc(C)ccc1C 409271747 MOULPNBXTOXGBA-HZHRSRAPSA-N 483.568 5.574 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1OC 409325377 YFXFVWIGGGSVCJ-DICXZTSXSA-N 468.937 5.099 50 40 JKGB O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 409391970 MDVIQCVKBUCQHB-BIZUNTBRSA-N 459.549 6.134 50 40 JKGB C[C@@H](CCC(=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 2049238463 XNTZTQJAAZNSGD-UICHGDDHSA-N 453.461 6.089 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1Cl 1805772 LBRPTAKXGGFANM-YRNVUSSQSA-N 485.676 7.471 50 40 JKGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1 2174389 VLACLRDJTBYKBR-LQKURTRISA-N 464.550 6.176 50 40 JKGB Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)c3ccncc3)c2-c2ccccc2)cc1 3665356 HZNUVADAOAUZMJ-RUMWWMSVSA-N 456.549 6.279 50 40 JKGB Cc1ccc(S(=O)(=O)n2cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)cc1 8861430 UNLZILAWYJNYEI-LGJNPRDNSA-N 486.380 5.257 50 40 JKGB CCC/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 9086492 GEKAELFZPSALMZ-VYIQYICTSA-N 455.587 5.347 50 40 JKGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc(Cl)c(Cl)c1 12636175 DEGYFLBKEMQPNV-DHRITJCHSA-N 496.803 5.602 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccc(C)cc1 20082067 JPCISTLFINPRGV-VWLOTQADSA-N 473.598 5.101 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 20197285 FKBWWVVHUXIZEE-JFLMPSFJSA-N 457.357 6.125 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@H]1c1ccco1 20348198 IGXXHRKBMKXBAI-QHCPKHFHSA-N 488.540 5.431 50 40 JKGB CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(OCCC)cc3)cs2)cc1 27345684 CTDMGYUWXIMURJ-LTGZKZEYSA-N 461.587 6.323 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc2ncccc2c1 33612777 MJSQRXGTDPAMLB-MZJWZYIUSA-N 469.526 5.529 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1ccc(Cl)cc1 59117003 DLCALLQGEORLCE-CAPFRKAQSA-N 452.897 6.258 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cccc(Cl)c1Cl 59333124 YBPPVYSPRAHZMB-PGMHBOJBSA-N 479.411 5.657 50 40 JKGB C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccccc1O 96451891 HVLZJOHKTMLHNZ-YUMHPJSZSA-N 464.978 5.076 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(C(C)(C)C)cc1 408552366 SALINKHSCMSZIZ-RCCKNPSSSA-N 482.653 6.749 50 40 JKGB CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 408607011 BJTUXGKRJCLTMG-WKULSOCRSA-N 498.410 5.786 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccccc4Cl)c3)CC2=O)cc1C 408607596 NHHJNFFGQUPJGB-FQEVSTJZSA-N 463.965 5.032 50 40 JKGB COc1cc(/C=C(/C#N)Cn2cnc3ccccc32)ccc1OCc1ccc(Cl)cc1Cl 408691832 SUYCSFZFRDQGAA-ZDLGFXPLSA-N 464.352 6.538 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1 408744228 JRXAJOSFANCKBU-ULJHMMPZSA-N 468.553 5.947 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)c1 408744550 MAHFFXJJZOJIJT-QNGOZBTKSA-N 484.397 6.615 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(OCC)c1OCc1ccccc1 408746502 DUFRPPSDGCLIAB-ONUIUJJFSA-N 452.554 5.616 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Br)c1OCc1cccc(F)c1 408748185 ZSRBCHBNYCBSJI-JMIUGGIZSA-N 495.348 5.399 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C/c1ccccc1OCc1cccc2ccccc12 408751878 DHEXTYPESOQIDX-FDAWAROLSA-N 461.521 5.496 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 408792192 JITZKJXFGIWOFQ-UDWIEESQSA-N 495.362 6.295 50 40 JKGB N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br 408793293 OGGKEQXIPUOUQK-KPKJPENVSA-N 451.107 5.204 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(Br)c2)c(C)c1 408794248 RQHOAGMCWYDNQK-AWNIVKPZSA-N 450.130 5.080 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(Br)c2)c1 408802903 JAYBITXFICELDV-LPYMAVHISA-N 475.386 6.499 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 408808483 MFLUACJPMPXUCT-WCDGWRHYSA-N 480.439 6.907 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2)cc1 408844767 DAASKJWRVCAOBR-NVMPUMLXSA-N 485.587 6.796 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(Br)s2)cc1 408856892 RVNSFIWGACUURD-MYYYXRDXSA-N 464.388 6.041 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc(Cl)c1OCc1ccc(C)cc1 408881519 LNLNNVBWUIIPFN-KEBDBYFISA-N 491.931 5.998 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1Cc1ccccc1Br 408884106 SQMAXINRXVJHFM-YBFXNURJSA-N 495.804 6.556 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1ccc(C)cc1 408895760 OCWFLVCAWCZCPS-LPYMAVHISA-N 471.513 5.735 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2cccc(F)c2)c1)C(=O)Nc1c(Cl)cccc1Cl 408898016 JSRLMVOYGCMCNO-MHWRWJLKSA-N 455.272 5.897 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2C#N)cc1)C(=O)Nc1c(Cl)cccc1Cl 408898568 XAEGYBMCPYIMAJ-MHWRWJLKSA-N 479.279 6.111 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1cccc(C)c1 409007938 SAXKDCFEJRXICS-HYARGMPZSA-N 469.541 5.184 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl)C(=O)Nc1ccccc1 409045519 YXLROFWWJNECAO-LICLKQGHSA-N 457.744 6.771 50 40 JKGB CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)NCc1ccccc1 409046222 JRMDPLMWSQJCNY-CXUHLZMHSA-N 478.184 5.224 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)cc2c1 409186392 BMSFBAZXKVRSPH-MBTHVWNTSA-N 462.477 5.322 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)c(C)c1 409260494 QYIUOHWZBCCENH-XDHOZWIPSA-N 475.932 5.226 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC 409309664 KPSOWFMQSZRWEX-MBTHVWNTSA-N 485.367 5.910 50 40 JKGB CCc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3)c(Br)c2)cc1 409365114 SRNBMJALLZGFDH-QQXSKIMKSA-N 451.364 5.283 50 40 JKGB N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)c1ccc(I)cc1 409373453 TWJQBQRTQCVTHM-KQWNVCNZSA-N 487.340 7.088 50 40 JKGB Cc1ccc(SCc2[nH]nc3c2[C@@H](c2cc(Br)cs2)C(C#N)=C(N)O3)cc1 662500 SAIRKSJWBABXDT-MRXNPFEDSA-N 459.394 5.053 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F 867530 OPIYXULGBJROTM-LFIBNONCSA-N 465.824 5.152 50 40 JKGB COc1cc([C@H]2C(C#N)=C(SCc3ccc(C)cc3)NC3=C2C(=O)CCC3)cc(OC)c1OC 1269684 QZXFYOJCDKCBQW-DEOSSOPVSA-N 476.598 5.383 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc(C)n(-c3ccccc3)c2C)c(C)n1-c1ccc(Br)cc1 3227262 RLRBFICNBOIBFK-LQKURTRISA-N 489.417 6.028 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)c1nn(-c2ccccc2)c(N)c1C#N 4118860 IXOOXMWLHVGCSB-DEDYPNTBSA-N 496.368 5.732 50 40 JKGB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)N/N=C/c1cccc(OCc2ccccc2)c1 9849460 VNHZPTUAOQTFBR-DFKUXCBWSA-N 477.564 5.861 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(C#N)cc3)c(OCC)c2)cc1 10476026 UDQCZXRJQYOIJI-OCSSWDANSA-N 491.975 5.281 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1F 13114336 SILQCELJFJRUSZ-LTGZKZEYSA-N 477.543 6.798 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c1 15226945 ZZBAOBWYSZPUBM-QNGOZBTKSA-N 450.498 5.760 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)OC(C)C)=C(C#N)[C@@H]1c1ccccc1Cl 20136722 UXRLSWGMABSFPV-QFIPXVFZSA-N 497.016 5.421 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2c(OCc3ccccc3F)ccc3ccccc23)c1 33746192 ILNQHRGHDNGBJZ-MUFRIFMGSA-N 458.489 5.339 50 40 JKGB COc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1 58916790 JQTJILQVIZIRIY-DHRITJCHSA-N 486.435 5.249 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c1C 59202149 PEDFSTXDVGITAZ-UDWIEESQSA-N 451.353 6.735 50 40 JKGB Cc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccccc2)c(C)c1 59472807 SHYYWFUMYKAHSP-UHFFFAOYSA-N 469.651 5.207 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1)c1ccccc1O 100913880 VNBJZHIOIYIYFN-YUMHPJSZSA-N 460.921 5.169 50 40 JKGB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(/N=N/c3ccccc3)cc1)[C@@H](Br)C2=O 100925444 WJVDGQHEYIHWJJ-CWQAGPEDSA-N 454.368 6.199 50 40 JKGB C[C@@H]1/C(=N/NC(N)=O)[C@H](O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 104093053 VNKDJJBPRDVEIM-ZICVDGPYSA-N 499.784 6.883 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 108111448 YIUKIBVVBRFCST-YVLHZVERSA-N 498.341 6.004 50 40 JKGB CCCCCCCCN(CCCCCCCC)C(=O)NCCC[Si](OCC)(OCC)OCC 198616652 ONILJRYQYWLXQU-UHFFFAOYSA-N 488.830 7.158 50 40 JKGB C#CCOc1c(Br)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1Br 408549300 SEDDCSNIAILXRB-GRSHGNNSSA-N 467.160 6.441 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)N[C@@H]1CCCC[C@@H]1C 408607553 TUTPBTGHVBCZPZ-IASYIPQGSA-N 472.589 5.326 50 40 JKGB N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccc(Br)cc1 408758148 GYOHJDYWPLTRJF-JCMHNJIXSA-N 483.365 6.727 50 40 JKGB O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 408763344 SDSQLYZJSUGVHE-IPPBACCNSA-N 489.881 5.069 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Br)c1OCC 408790018 QCEKEFOFQFMTNG-MYKKPKGFSA-N 459.262 5.029 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1Cl 408804177 CVBDSDYPQDJPQK-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(OC)c2)cc1 408810746 PYOUFLFXUGWRJT-HZHRSRAPSA-N 456.542 5.835 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccc(C)c2)cc1 408812380 SLRYKNRYOGBJPI-HZHRSRAPSA-N 470.525 5.305 50 40 JKGB C=CCn1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c2ccccc21 408854755 ASHMXQXUAUFYGM-GTWSWNCMSA-N 458.565 6.357 50 40 JKGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 408873112 NAPQKPVUAFZODR-KMASNHLKSA-N 454.401 6.273 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3Br)o2)c(OC)c1 408873907 XBAQCNYDHVPICD-GZTJUZNOSA-N 481.346 5.258 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(C)cc1 408885710 FGQZLKNVOSCJBB-RGVLZGJSSA-N 491.931 5.998 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1F 409079814 MFNNYDBXBUTJRQ-ZRGSRPPYSA-N 491.744 5.593 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 409195113 PGVWAYLAIGRQDN-KBVAKVRCSA-N 482.971 5.962 50 40 JKGB COc1ccc(Oc2ccc(-n3c(C)cc(/C=N/NC(=O)[C@H](C#N)c4ccccc4)c3C)cc2)cc1 409195622 JPXCEHHVPDZNAI-RYBVODPGSA-N 478.552 5.653 50 40 JKGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1cccc(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 409218747 GTJUGDHDZJLOCO-PPDIBHTLSA-N 491.809 5.250 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(Cl)cc2Cl)cc1 409222920 FFMXEZKHSVSSTC-ROTLSHHCSA-N 472.284 5.193 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1cccc([N+](=O)[O-])c1 409229540 QVJWMLOITILCJZ-JVMBGAFUSA-N 471.513 5.357 50 40 JKGB C=CCc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(OCC)c1OCc1ccccc1 409242448 NPTOYDPLHWPRQP-LQKURTRISA-N 490.629 5.042 50 40 JKGB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 409270690 HCNADKRKHGCJHC-VCHYOVAHSA-N 482.323 6.292 50 40 JKGB CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)c(Cl)c3)=C2C#N)cc1 409333096 IMGYBAMVJASECM-HNNXBMFYSA-N 478.426 5.426 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCC(=O)Nc1ccc(C)cc1 409389998 DDFKHQMIVYVSCR-GRSHGNNSSA-N 495.348 5.987 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 939455 PXBWBZWVAYDNEF-XNTDXEJSSA-N 498.366 6.985 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)cc1 2310770 UUOYUKYJKSHZDD-HSZRJFAPSA-N 463.990 5.449 50 40 JKGB COc1cc([C@H]2CC(=O)NC(SCc3ccc(Cl)cc3)=C2C#N)cc(Br)c1O 2347291 BKSPGUWMMCOTNN-CQSZACIVSA-N 479.783 5.089 50 40 JKGB CC(C)c1ccc(N2C(=O)/C(=C/c3ccc4c(c3)CCN4CCCCl)C(O)=NC2=S)cc1 2371031 IDSDYEVNBNBZJU-RCCKNPSSSA-N 468.022 5.473 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 3073596 ITZBYMOJJKFFFE-MZJWZYIUSA-N 465.340 5.375 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12)c1ccc(F)cc1 8812200 IQBNVCARQIAUNF-LGJNPRDNSA-N 497.311 5.197 50 40 JKGB CCCCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc(C)c4)ccc32)c1 8917424 IDGOKARXFUMFHK-AREMUKBSSA-N 454.526 5.611 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 9158375 VZWDBGDTUUKTBI-RDRPBHBLSA-N 458.558 5.674 50 40 JKGB N#C/C(=C/Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(-c2cccc(Br)c2)cs1 11853130 DWIMSAHLAGEYBK-XFXZXTDPSA-N 484.728 7.221 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1ccccc1Cl 12463981 ZTELUCREAROJEU-WSDLNYQXSA-N 483.471 5.770 50 40 JKGB N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccccc1OCc1ccccc1Cl 17143988 IHQCUWKGZNEAFJ-JOCHJYFZSA-N 472.953 5.712 50 40 JKGB Cc1ccc(-c2ccc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)c(Br)c1 33731212 DRJLMNPAJROWFK-KSEXSDGBSA-N 484.331 5.904 50 40 JKGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)c3ccc(-c4ccccc4)cc3)=C2C#N)cc1 40486357 DQAMNUSTYKNXSV-QHCPKHFHSA-N 454.551 5.317 50 40 JKGB O=C(N/N=C/c1cc(Br)c(OCc2ccccc2)c(Br)c1)c1cccs1 59197647 KTOUGPXHIAIQKK-SSDVNMTOSA-N 494.208 5.616 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc2c(c1)OCO2 59336221 HQHHQYFDRDIQDC-MFOYZWKCSA-N 497.334 5.855 50 40 JKGB Cc1cc2c(cc1C)CN(c1ccc(C(=O)N/N=C/c3c4ccccc4cc4ccccc34)cc1)C2 59501511 YJUXQJDFPIFKDF-DPNNOFEESA-N 469.588 6.894 50 40 JKGB N#C/C(C(=O)NCc1ccco1)=C1/S[C@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccccc1 100988940 UOLHEUCAQYTLRO-AZJLSSPBSA-N 498.391 5.329 50 40 JKGB O=C(OOC(=O)[C@@H]1CC2c3ccccc3C1c1ccccc12)[C@H]1CC2c3ccccc3C1c1ccccc12 104251458 QCTDIGVPRFGRLR-SPSDYJAHSA-N 498.578 6.582 50 40 JKGB CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1OC 107755411 KYFNSUKNCKBDHJ-QQXSKIMKSA-N 495.845 6.614 50 40 JKGB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc21 223477568 MTDGGWSEQPIJTP-AJBULDERSA-N 467.613 5.483 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1 408580667 QMCYPGZXTDKXBV-UDWIEESQSA-N 468.778 7.144 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 408581124 GFJGHDGYJBNBLC-XDHOZWIPSA-N 493.357 5.548 50 40 JKGB CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408612674 WSMAJBOZINMQSO-MZJWZYIUSA-N 470.356 5.224 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)Nc2ccccc2F)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408814746 WEIVJRZSOFBTEG-XMHGGMMESA-N 454.461 5.591 50 40 JKGB CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1 408825464 KASMNDZLWHYING-CPNJWEJPSA-N 467.352 6.517 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1cc2ccccc2o1 408857647 VMPULOQCIFWJTJ-ZMFRSBBQSA-N 467.294 5.677 50 40 JKGB N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl 408887392 NUAXHUFJJDFFKI-MHWRWJLKSA-N 462.292 6.754 50 40 JKGB CCc1ccc(-n2nc(C(=O)N/N=C\c3c4ccccc4cc4ccccc34)c(C)c(C#N)c2=O)cc1 409062380 SSYUEVKQRFDGNW-CAQPMQTCSA-N 485.547 5.045 50 40 JKGB Cc1ccc(C)c(CC(=O)N/N=C/c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c1 409364658 OIBOTAGYBPFOGR-FJEPWZHXSA-N 478.423 6.614 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)ccc1OCc1ccccc1Cl 409366250 TUFFRCGHYUPWEX-NTFVMDSBSA-N 450.966 5.627 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1 1827075 KURLMAUWPBDHQW-MZJWZYIUSA-N 496.423 5.792 50 40 JKGB CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 2553547 ZMNUDWNZLDJRJL-QGOAFFKASA-N 486.424 6.765 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1cccc(Cl)c1 9308747 JBRVHJWWISBQIN-QFIPXVFZSA-N 454.917 5.527 50 40 JKGB CCOc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(OCc5ccccc5)cc4)CC(=O)N3C2)cc1 12251070 ZMWFTZGQECVNDJ-AREMUKBSSA-N 497.620 5.884 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccccc1 15012275 ZEWCDFVUDPKMFB-YVLHZVERSA-N 485.740 6.366 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 20197469 HWISXOULKPJTKH-YDZHTSKRSA-N 472.295 5.170 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2C)N1 20347554 LKJVUKBILMLTAJ-VWLOTQADSA-N 484.581 5.295 50 40 JKGB CCCOc1ccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1 30742712 CDILLPOUEADZFA-FMCGGJTJSA-N 493.079 5.515 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(Cl)cc1Cl 59117196 GGARDMSVOHCPNF-WQRHYEAKSA-N 485.342 6.656 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@H]1C=C(c2ccccc2)C=C(c2ccccc2)S1 68564770 BMSPKHNLODMGNR-GDLZYMKVSA-N 450.543 7.198 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1nc2ccccc2s1 95100360 VWXRKGCUSDIWAZ-QGOAFFKASA-N 456.483 5.329 50 40 JKGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(Cl)cc2)N=C2CCCC(O)=C21 102864293 ZTJUWSUDFXLYLV-DEOSSOPVSA-N 494.016 6.380 50 40 JKGB O=[N+]([O-])c1ccc(N[C@H](c2ccc([N+](=O)[O-])cc2)P(=O)(c2ccccc2)c2ccccc2)cc1 104822547 QEKIQFQZJMCSTK-VWLOTQADSA-N 473.425 5.628 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc(Cl)cc1Cl 408578720 AKXUHYUFUOYZFE-CPNJWEJPSA-N 464.779 8.443 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccccc1 408793347 FAZMLBDOJAYXLB-DEDYPNTBSA-N 477.358 5.972 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 408796808 QAKZKUBZOKSCKD-CPNJWEJPSA-N 460.364 6.851 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Br)c1)C(=O)NCCc1ccccc1 408802625 ZOQUXGCEAZHLGT-OEAKJJBVSA-N 486.369 5.166 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2C)cc1Cl 408813282 QOEJEKQFTHBKDU-BOPFTXTBSA-N 451.885 5.219 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Br)cc2)ccc2ccccc12)C(=O)Nc1ccc(O)cc1 408819490 XKEQRBCXJKRGKL-HMMYKYKNSA-N 499.364 6.433 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)ccc1O 408845122 OQRUUUBLWLUXQS-LGJNPRDNSA-N 479.945 5.285 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(F)cc1 408852570 UISZNLRGQJTEFF-ROTLSHHCSA-N 454.299 5.506 50 40 JKGB O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1)c1cc2cc(Br)ccc2o1 408857081 RZIVWEBHAISJBL-KSEXSDGBSA-N 475.751 6.357 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 408883574 UAENIRWBAWCMBG-LUOAPIJWSA-N 498.193 6.652 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccc(Cl)cc1Cl 408884693 YDMJTTGGNVVBRC-KBKYJPHKSA-N 468.167 6.643 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1cc(Cl)ccc1Cl 409022757 RVKDFUKURBBZNF-RAWMCFOBSA-N 460.748 6.564 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC(C)C)c1 409043146 QAGRBJATRSENSD-LZYBPNLTSA-N 492.211 6.101 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(Br)cc1OCc1ccccc1C#N 409187764 BREIFGZVRVLLRL-UVHMKAGCSA-N 498.764 5.326 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 409235114 YOXODDPNAYAMTJ-HAHDFKILSA-N 492.978 6.113 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 409255456 ZWJPQDOGRJBWMB-WWTGGXICSA-N 482.367 5.076 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)cc2)cc1OC 409321408 GKAVPOATYJJACG-MIXAMLLLSA-N 454.526 5.590 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)NC(=O)C[C@@H]1c1ccc(Cl)cc1 409325166 XGBULSOWCJMLQU-CQSZACIVSA-N 466.777 5.357 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccccc4)c(Br)c3)[nH]c2c1 409391275 IUMHNJVCYUMLCL-MFOYZWKCSA-N 494.776 6.631 50 40 JKGB C[Si](C)(C)OP(=O)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)C 627276236 MNCSAGGKVLEUIO-UHFFFAOYSA-N 472.433 6.741 50 40 JKGB Cc1cccc(N2C(N)=C(C#N)[C@@H](c3cc(Br)cs3)C3=C2CC(C)(C)CC3=O)c1 705446 STQDPUJAXSKFMO-FQEVSTJZSA-N 468.420 5.760 50 40 JKGB C/C(=N\NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1)c1ccc(-n2ccnc2)cc1 1003384 HWNAFVWKOQKISX-NJZRLIGZSA-N 461.569 5.646 50 40 JKGB CCc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@@]21C(C#N)=C(N)OC2=C1C(=O)CCC2 2231256 GIBPYHQAWRMZBY-FIRIVFDPSA-N 493.607 5.053 50 40 JKGB CCCCN1C(=O)/C(=N\NC(=O)c2sc3ccccc3c2Cl)c2cc(Br)ccc21 2292557 JOEUSPSRFQZBKH-MOHJPFBDSA-N 490.810 5.598 50 40 JKGB Cc1ccc([C@H](Br)[C@H](Br)C(=O)c2ccccc2OCc2ccccc2)cc1 3138089 NQMMFKFBNQKYOM-VXKWHMMOSA-N 488.219 6.656 50 40 JKGB O=C(N/N=C\c1ccc(Cl)cc1Cl)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 8763024 KGXYGGHVJGULDN-FEDGQQDLSA-N 489.199 5.640 50 40 JKGB COc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccccc3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1 8934541 CQLPUYLNSVKHFI-HHHXNRCGSA-N 495.604 5.646 50 40 JKGB CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccccc2)N1 9075431 BLCLEKSSJZLBSI-XMMPIXPASA-N 473.529 5.369 50 40 JKGB Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 9200690 BSVFRCZJQONZSU-RPPGKUMJSA-N 492.200 6.407 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1cccs1 9680384 GOBMZUANYOXJTC-MSXFZWOLSA-N 488.425 5.545 50 40 JKGB COc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2Cl)c1 12585694 ASOGOZRYLHIBML-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2c(OC(=O)c3cccc4ccccc34)ccc3ccccc23)cc1 21965148 GZKHMXWDXCNPHM-DXJNIWACSA-N 458.517 6.285 50 40 JKGB CCN(CC)c1ccc(/C=N\NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 32576909 KHABQXHNCAXAOY-CEUNXORHSA-N 498.656 5.331 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccc(C(=O)O)cc1 35074612 RZACMFDRYOBSGS-ZDLGFXPLSA-N 482.305 5.938 50 40 JKGB C/C(=N\NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1 59473766 PPQGKRDWAZAWSJ-DCMOEJRUSA-N 451.979 5.613 50 40 JKGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 83299763 GTAFVEVJWVWALI-RLWVUDJFSA-N 453.970 5.110 50 40 JKGB C[C@@H](Cl)CN(Cc1cc(CN(C[C@@H](C)Cl)C[C@@H](C)Cl)c(O)cc1O)C[C@@H](C)Cl 104049520 WNASTKNKLFHUNC-KLHDSHLOSA-N 474.300 5.211 50 40 JKGB Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2Br)c1 408745454 SKKLGFQEAJCCRW-BKUYFWCQSA-N 461.359 6.191 50 40 JKGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 408764473 TZBPGXGJONMILQ-RGEXLXHISA-N 473.916 5.106 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1cccc(C)c1 408776133 UKJOGRGMCDSAHN-GRSHGNNSSA-N 457.368 5.167 50 40 JKGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl 408792629 BLYJBJUECDAKPE-DEDYPNTBSA-N 479.363 6.683 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1ccc(Br)cc1 408806446 JFUJNZDQOYPDFP-UBTJMGRZSA-N 497.433 6.029 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2ccc(F)cc2)c1Cl 408814098 PZDNRBGBKPOMSQ-OPEKNORGSA-N 464.280 5.410 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(I)c1OC(C)C 408852839 JEUUOPZEGDXGRB-OQLLNIDSSA-N 494.304 5.162 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1OCc1ccc(Cl)cc1Cl 408867096 JHSOZAACRWQPBZ-UDWIEESQSA-N 481.379 6.689 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(OCc2cccc(F)c2)c1 408889797 HERSKEUHWCUWSM-YBFXNURJSA-N 450.897 5.921 50 40 JKGB CCOc1cc(Br)c(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1OC 408905321 XEPRBRVYBGMBMK-FBHDLOMBSA-N 485.176 5.083 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(F)cc1 408982120 GAKISGIFEJXUIV-YBFXNURJSA-N 499.369 6.964 50 40 JKGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc(-c4cccc(F)c4)o3)oc12 409014625 XRKAXPADUNNAIU-BHGWPJFGSA-N 457.255 5.367 50 40 JKGB C#CCOc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 409039885 XGDMALTYGFWQPC-LQKURTRISA-N 486.984 5.983 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)o1 409043861 ZYRLAJZINCNUFR-STBIYBPSSA-N 476.492 6.142 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OCC)c1OCc1cccc(F)c1 409082877 TZTQSKLEBMNFFZ-HYARGMPZSA-N 474.507 6.217 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1 409110631 XFGBYKVKGGGMGA-QUPMIFSKSA-N 491.657 5.435 50 40 JKGB N#C/C(=C/c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 409231256 JBZYXHIAIVWWEA-UNOMPAQXSA-N 489.453 5.952 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCc1cccc2ccccc12 409310088 QCLBAQBKAVOVEX-DIBXZPPDSA-N 455.557 8.035 50 40 JKGB Cc1c(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 409363218 UMHJXSOETHUNQY-CPNJWEJPSA-N 462.336 7.277 50 40 JKGB O=C(N/N=C/c1ccc(Br)cc1)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1 1818413 PZPTZRIOTARNCW-DHRITJCHSA-N 452.739 6.015 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3C)nc3ccccn3c2=O)cc1 2422907 NVVDDNZMGWBDRQ-CAPFRKAQSA-N 480.524 5.048 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1)c1ccc(F)cc1 2871157 QZBOELZJHGEMLX-VCHYOVAHSA-N 453.267 6.140 50 40 JKGB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1cccc2ccccc12)c1ccc(Cl)cc1 3181080 BXMIDZRZQZDWMN-HUEHPZEESA-N 494.982 5.466 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1ccccc1C(F)(F)F 3231384 YFOWCQJLESWMJJ-HMMYKYKNSA-N 486.449 6.623 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)cc1 3644187 OUQURTPBAHPYGJ-SAPNQHFASA-N 486.915 5.003 50 40 JKGB O=C(O)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 6445747 PFNDLHUUVRPUCP-PHNZBSFLSA-N 498.963 6.471 50 40 JKGB CC/C(=N\NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)c1ccc(O)cc1 9380115 IWRVFKGGIRRILP-HPNDGRJYSA-N 498.052 5.832 50 40 JKGB N#C/C(=C\c1ccc(OCCOc2ccc(C3CCCCC3)cc2)cc1)C(=O)Nc1ccccc1 16157725 MXDSCERRLXUTHS-YYADALCUSA-N 466.581 6.738 50 40 JKGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1C 28216913 CPYPPNNTUXXDAF-OCSSWDANSA-N 488.056 7.112 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 33488987 WKCWPHFZHQEQAN-QRVIBDJDSA-N 485.496 6.273 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1ccc(C(=O)O)cc1 34688095 QBIUPRHGGBPKBD-ODLFYWEKSA-N 479.286 5.699 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)nc1-c1ccccc1)C(=O)NCCc1ccccc1 44790540 IFCGUKJZWXWFDW-ULJHMMPZSA-N 466.972 5.518 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1c(Cl)cccc1Cl 59245222 KSKLPFIKIXHHJQ-MHWRWJLKSA-N 498.322 6.035 50 40 JKGB C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 59336170 GMXXNHUXSHFWEB-LCYFTJDESA-N 450.119 5.314 50 40 JKGB O=C(CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31)N/N=C/C=C/c1ccccc1 61992928 LOCLHXKYHXMWRG-MCVZQOIVSA-N 480.656 6.197 50 40 JKGB biogenic COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1OCc1cccc([N+](=O)[O-])c1 100371095 HJBJFSBMIZTUQV-JMIUGGIZSA-N 479.496 5.191 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)c1C 107840727 ODLZXSOUPBYYHO-MOSHPQCFSA-N 473.598 5.895 50 40 JKGB C[C@@H]1CC(C)(C)N(Cc2ccccc2)c2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc21 245240073 KWNIYDVNWWUOLZ-WINIVTDRSA-N 481.640 6.430 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1)c1ccc(Cl)cc1 408581200 UYPPMQHLBMZYGZ-YBFXNURJSA-N 468.734 6.444 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(Cl)cc4Cl)cc3)CC2=O)cc1C 408604345 IGEURVZSOFAVDV-IBGZPJMESA-N 498.410 5.685 50 40 JKGB O=C(NNc1ccccc1OCc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408611265 VPFZINDFSWVZAT-MRXNPFEDSA-N 488.346 5.208 50 40 JKGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1 408724065 DMMQZUNXQVJMJA-UZWMFBFFSA-N 482.543 6.315 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)c(Cl)c1 408743081 ZDLMEYXXIMVPSB-OCSSWDANSA-N 488.035 5.985 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 408744848 HUIINPMRPMZAPY-KQWNVCNZSA-N 499.973 7.011 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)C(=O)NCc1ccccc1 408747750 SKUVEHBVUPDNDC-STZFKDTASA-N 494.332 5.094 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1 408794602 JTZSYBLUHGHRJX-VCHYOVAHSA-N 453.325 6.127 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2c(C)ccc3ccccc23)cc1 408807908 PDGVMTYNWPJWGR-HZHRSRAPSA-N 466.968 7.235 50 40 JKGB O=C(/C=C/c1ccccc1)Oc1ccccc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccccc1 408995349 BODWMQFQWHZBJS-ZILHTJLKSA-N 489.531 5.322 50 40 JKGB Cc1cccc(COc2ccc3ccccc3c2/C=N\NC(=O)COc2cccc3cccnc23)c1 409024439 YCHYRJKCHAJOCB-CAQPMQTCSA-N 475.548 5.805 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2cccc(C)c2C)cc1 409028003 XSMQBESPMSULHG-UHFFFAOYSA-N 483.678 5.516 50 40 JKGB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12 409030430 DEHLBKKKPGZVNR-VEILYXNESA-N 467.529 5.420 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12 409046627 KPYUVDHCLVEEIU-LPYMAVHISA-N 487.386 7.580 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OCC)c1OS(=O)(=O)c1ccccc1 409063371 ASJVQOPQHNJXLB-LTGZKZEYSA-N 486.549 5.787 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OS(=O)(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1 409065632 IIORWZWWUFQVHN-LFIBNONCSA-N 473.337 5.307 50 40 JKGB N#C[C@H](C(=O)N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)c1ccccc1 409198342 DDPQIRCQUBSEHH-YJGSSNSBSA-N 471.358 5.210 50 40 JKGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 409227305 UWPSEWGWWVEORU-UHFFFAOYSA-N 496.272 5.339 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccccc1Cl 409313146 HSDLAJDAZYUXRV-DICXZTSXSA-N 468.937 5.099 50 40 JKGB COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(C(F)(F)F)c3)=C2C#N)cc1Cl 409321725 JBOUUAROQZWYFT-OAHLLOKOSA-N 495.910 5.078 50 40 JKGB CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3Cl)=C2C#N)cc1 409323223 ZPWWJRCZCPKSOF-OAHLLOKOSA-N 476.385 5.103 50 40 JKGB COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1OC 2089628 UFPSZJLTQOOOAO-CCVNUDIWSA-N 480.351 5.990 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(Cl)cc3)C(=O)N2c2ccccc2)c1 2336106 CXCWGYVGQFOCMZ-YDYXIROLSA-N 473.985 5.713 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)c2ccccc2OCc2cccc(Br)c2)cc1 3088796 IAQNFINREJLIMC-WGOQTCKBSA-N 467.363 5.581 50 40 JKGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C 4086255 ADXJZWUOHPAVJV-MHWRWJLKSA-N 485.327 5.863 50 40 JKGB CCOC(=O)COc1ccc2ccccc2c1/C=N\NC(=O)CSc1cccc2ccccc12 8874954 BSEVJDXTAPHQHQ-NTFVMDSBSA-N 472.566 5.177 50 40 JKGB CC(C)(C)c1ccc2c(c1)O[C@H](C(=O)N/N=C\c1ccc(-c3cc([N+](=O)[O-])ccc3Cl)o1)CO2 9369975 NYLDUQSVGYJISB-GMMBANTPSA-N 483.908 5.096 50 40 JKGB C/C(=N\NC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccc(C2CCCCC2)cc1 12604804 IMLGWYIUKPMEJD-STKMKYKTSA-N 477.608 7.016 50 40 JKGB O=C(NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)[C@H]1CC1(c1ccccc1)c1ccccc1 17838167 DNEIRTQWEHRIQZ-HNRBIFIRSA-N 472.588 5.146 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(C)c(C)c2C)c2ccc(Cl)cc2C)cc1 20206946 DICVGWAFDPSJHJ-RWPZCVJISA-N 498.048 5.228 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 35086290 BAFQMPMSGCBIGK-BOPFTXTBSA-N 498.341 6.004 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1sc2ccccc2c1Cl 58871859 WPGBSNXXYAPBLT-MZJWZYIUSA-N 494.956 5.642 50 40 JKGB COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 58913536 OKFQQAAMPDAATC-KBKYJPHKSA-N 493.778 5.152 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc2ccccc2c1 59335716 UPGPSBAYTYBVJM-VEILYXNESA-N 488.587 7.010 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccccc1Cl 59432713 UZPRMNLZOIUGEJ-HYARGMPZSA-N 460.961 6.480 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1cccc2ccccc12 59432998 MDVZWIHVQLZBHK-YZSQISJMSA-N 476.576 6.980 50 40 JKGB COc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Br)c1OCc1ccccc1 59536152 GAKNWRNSJFIXAZ-ZVHZXABRSA-N 454.324 5.192 50 40 JKGB CC1(C)CC2=NC(SCC(=O)Nc3ccccc3F)=C(C#N)[C@@H](c3ccc(Cl)cc3)C2=C(O)C1 102606500 RHRGFGRUEHEIIU-HSZRJFAPSA-N 496.007 6.756 50 40 JKGB N#C/C(=C/c1cccs1)c1nc(-c2ccccc2)c(NC(=O)c2ccc(Br)cc2)s1 102862951 IAHAYDQJGWMMMA-LGMDPLHJSA-N 492.423 6.951 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OC 105542759 TWMCRNJHOLOOHK-RCCKNPSSSA-N 454.998 6.942 50 40 JKGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3cc4c(cc3C)N(C)C(C)(C)C=C4C)oc12 208456664 PRMGGVBAXHWQES-UVHMKAGCSA-N 496.405 5.908 50 40 JKGB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C(=O)[C@H](Br)[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 253617407 ZELACZPTWWTTFT-UVKSPDAESA-N 467.488 6.177 50 40 JKGB CCCCCCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1 408539914 ZXINIUBNAGZWHE-HEHNFIMWSA-N 499.449 7.133 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1Cl 408540245 PBXPGUIWWQMCLA-CPNJWEJPSA-N 481.261 8.559 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1 408568195 IHEHWIAKRITLPJ-ZMOGYAJESA-N 496.639 5.315 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408599684 YKNRFLLPOJLFJZ-IDUWFGFVSA-N 479.190 7.952 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccccc4Cl)c(Cl)c3)CC2=O)cc1C 408603330 GKIYNDQLIFECEH-LJQANCHMSA-N 498.410 5.685 50 40 JKGB COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Br 408764665 YAXZOBZXYBUAEG-QPEQYQDCSA-N 450.130 5.074 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1OCc1ccccc1C#N 408791808 CUQOJUOFHAQQQS-BUVRLJJBSA-N 497.982 6.464 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408795469 MLEFQZZEPBOPHN-LGUFXXKBSA-N 460.533 6.390 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1ccc(O)cc1 408799003 XNWNVUMSXYUDHH-RQZCQDPDSA-N 483.307 5.522 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1cccc2ccccc12 408884243 WJGAWZASZQODOL-RWPZCVJISA-N 493.788 6.599 50 40 JKGB O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408893862 GJUTXABKAMOWCB-RPPGKUMJSA-N 486.380 5.956 50 40 JKGB Cc1cc(NC(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)ccc1Br 408908755 RTUIVJLEKRDONP-LSHDLFTRSA-N 477.702 5.735 50 40 JKGB Cc1c(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)sc2ncnc(N)c12 408972780 FCQSKKQFMWSTAQ-HIUVJMHLSA-N 486.384 5.232 50 40 JKGB CC(C)COc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)NCc1ccccc1 409055418 IOPOMFAZPJPKMJ-CAOOACKPSA-N 492.211 5.470 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Br)cc1 409201916 OSISYORWGJRJTQ-ZDLGFXPLSA-N 499.748 6.662 50 40 JKGB O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 409226950 WSEALPFLGIPYOU-GATIEOLUSA-N 492.702 5.538 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)c1cccc(F)c1 409392627 MZNWDDYHDDUVNO-IUXPMGMMSA-N 477.160 7.538 50 40 JKGB COC(=O)c1ccc(C(=O)OC)c(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1 1764766 TWLCYNQUYGHVLA-RVDMUPIBSA-N 453.907 5.013 50 40 JKGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)N(Cc1ccccc1)Cc1ccccc1)[C@@H](Br)C2=O 2376855 FPPROZSUXDYSBL-AMDXRBSFSA-N 454.408 5.374 50 40 JKGB Cc1cc(C)c([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(Cl)cc1 2726833 ANWPMWPXPFDRDA-JYFHCDHNSA-N 468.988 6.129 50 40 JKGB O=C(N/N=C/C=C/c1ccccc1[N+](=O)[O-])c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3201091 FYPHUNNCOXRBIR-UTXMNRISSA-N 456.889 5.892 50 40 JKGB CCCCCCCCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 3221093 IEUYIRSMROLEDB-PTGBLXJZSA-N 484.600 5.694 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 6446904 KJRXDIUJCQDGSK-VIZOYTHASA-N 489.189 7.820 50 40 JKGB O=C1N=C(S)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc2c(c1)CCN2CCCCl 9009332 QDVPCSINLKLNET-PGMHBOJBSA-N 476.001 5.074 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1cccc(F)c1 9187083 RXYWLNBXNJDTAG-RQZCQDPDSA-N 478.321 6.116 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1F 9187256 OUBLPZCELREUHR-WOJGMQOQSA-N 492.348 6.506 50 40 JKGB N#C/C(=C/Nc1cccc(Cl)c1Cl)c1nc(-c2cccc(Br)c2)cs1 9334983 ZTELQGWSOGFNFC-XFXZXTDPSA-N 451.176 6.856 50 40 JKGB N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@H]1c1cccc(Br)c1 9693449 HRTBNAFVDQWZBR-KRWDZBQOSA-N 460.784 5.322 50 40 JKGB O=C(NN(Cc1ccccc1)c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 13133743 GERQIRUBPDQOCS-UHFFFAOYSA-N 498.029 5.554 50 40 JKGB N#C/C(=C\Nc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1 13756642 PHQOUNSCHLHTFC-CSKARUKUSA-N 474.722 7.766 50 40 JKGB CC(C)COc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 16184144 ANXGDUMSYFYVHL-ZZYREXKBSA-N 487.625 5.260 50 40 JKGB CC(C)c1ccc(-c2cc(C(=O)NN=C3CCCCCCCCCCC3)c3ccccc3n2)cc1 20550419 SKCKBTYDDCMKEC-UHFFFAOYSA-N 469.673 8.416 50 40 JKGB C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 58917688 MLFADFIYXOFHJK-PGDSTHDHSA-N 491.566 6.665 50 40 JKGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c1 58927837 RKODBOGXDYUCCL-MZJWZYIUSA-N 453.007 5.919 50 40 JKGB O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1)c1cccnc1 83306394 UDHIFESUHUWHEA-RGXNXFOYSA-N 476.967 6.624 50 40 JKGB CC12C[C@H](Br)[C@H](Br)CC1(C)C[C@H](Br)[C@H](Br)C2 101046561 CXHKDKVYYZDCRY-GEDKWGBFSA-N 481.892 5.641 50 40 JKGB Brc1ccccc1N=P(Nc1nccs1)(c1ccccc1)c1ccccc1 101111223 VJDGXJGUFKYHDE-UHFFFAOYSA-N 454.333 6.416 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Cl)c3Cl)C3=C(O)CCCC3=N2)c1 104136901 IIQVWAAICDAPMM-QFIPXVFZSA-N 498.435 6.943 50 40 JKGB CCCCCCCCCCC/C=N\NC(=O)C(=O)N/N=C\CCCCCCCCCCC 104375732 DAFBTKQYABQJAJ-JTFGNLGHSA-N 450.712 7.032 50 40 JKGB CCCCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc(C)cc2)cc1OCC 106036137 BYPCMMADHPMHQS-IMRQLAEWSA-N 489.454 6.659 50 40 JKGB COc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(OC)c1 107609738 CTSGMAQPUPPCIB-NTFVMDSBSA-N 473.529 5.047 50 40 JKGB CC[C@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118924632 FOQAJGFTDYXPDS-XFPGAXICSA-N 475.157 9.184 50 40 JKGB OCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F 143856771 QRCWNXLGRHSPPF-QMMMGPOBSA-N 474.145 5.591 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc2ccccc2c1 408542284 KIUFDFWQXFFLHW-CFRMEGHHSA-N 478.504 5.671 50 40 JKGB CC1=CC(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1 408745357 MERDQGLVHUEUCZ-KUAKTGBJSA-N 480.995 7.368 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1Cc1cccc(F)c1 408875871 LUNOWKWLFVVYGN-VXLYETTFSA-N 479.349 6.042 50 40 JKGB COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)ccc2OC)cc1 408894585 IRYCIOSHHLQBHH-SFQUDFHCSA-N 497.334 5.775 50 40 JKGB O=C(N/N=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1cc2cc([N+](=O)[O-])ccc2o1 408905179 USUJNPRFLUKGBZ-WKIKZPBSSA-N 472.888 5.761 50 40 JKGB Cc1ccccc1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1c2ccccc2cc2ccccc12 408971041 GHHMBFHBWLXNBQ-FTBWOGGGSA-N 481.596 5.361 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl 408984381 QHUJUTGDPFMIDV-NSIKDUERSA-N 467.736 5.443 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)cc1Cl 408990773 LXUCZKRFMDYPIV-MHWRWJLKSA-N 450.907 5.649 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OCC)c1OC 409040381 YMWRTRODQAEXRU-FSGOGVSDSA-N 465.553 5.802 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(-c2ccccc2)cc1 409255276 YRDCKJMVEAQXTL-LFVJCYFKSA-N 485.509 7.326 50 40 JKGB COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)ccc1OCc1cccc2ccccc12 409360920 OYAJIQJBTBOSOY-OKCVXOCRSA-N 457.505 5.129 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)c2ccc(I)cc2)o1 409371460 JUZFOFCBDOIAQS-GDNBJRDFSA-N 456.239 5.832 50 40 JKGB CCOP(=O)(OCC)/C(C#N)=C/c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 1856631 GPVIEPUQMRVGEW-MHWRWJLKSA-N 467.302 7.115 50 40 JKGB O=C(CNc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 2383571 ZFOBALQNNHNXKK-RPPGKUMJSA-N 473.316 5.043 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1OCC(=O)c1ccccc1 9059291 GBQNQRNYJNRVEO-UCQKPKSFSA-N 466.562 6.453 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OC(=O)c1ccc(F)cc1 9635953 OMYAGSORAPLCHP-KBVAKVRCSA-N 485.515 5.159 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCc3ccccc3Cl)NC3=C2C(=O)CC(C)(C)C3)cc1OC 12139324 SGZDLPZKLKPDKD-DEOSSOPVSA-N 495.044 6.356 50 40 JKGB Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3c4ccccc4cc4ccccc34)cc2)c1 12577447 AFKGEBNXESHZTA-ZCTHSVRISA-N 457.533 6.318 50 40 JKGB O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 13425218 MDSAGBCQJAXQFQ-CCVNUDIWSA-N 471.973 6.452 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1cccc(F)c1 34868982 CXIUMRGYOMDBDS-JMIUGGIZSA-N 451.881 6.219 50 40 JKGB CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1 38682394 AUAAFVCDCKVNGQ-AREMUKBSSA-N 486.593 6.025 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1cccc(Cl)c1 59266287 TYROTMITSZZWHT-UDWIEESQSA-N 481.379 6.825 50 40 JKGB C=CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 59336346 XBYLDXOWQFENLP-RGEXLXHISA-N 466.368 6.511 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1cccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c1)c1ccccc1 96399873 DDYBXSYIBASVAM-GXMKFQINSA-N 474.564 5.255 50 40 JKGB O=[N+]([O-])c1ccc2c(c1)[C@H]([PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-2 104131027 WBNOBONEOLZWAR-WJOKGBTCSA-N 473.512 6.391 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccc(C)cc3)n2)cc1 408727786 XPKZTWLFERUSDC-RUMWWMSVSA-N 486.575 6.287 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccc(Br)cc1 408753836 KPXFNIFSOGLDHY-GZTJUZNOSA-N 499.206 6.165 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)cc2)cc1 408754885 SLWIWVLMSAJEPW-RGEXLXHISA-N 490.357 5.321 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408788440 KBFMPDYRNGHOKJ-LZYBPNLTSA-N 475.734 6.911 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1OCc1ccc(Cl)cc1 408796844 QBUOACHXEUXOLF-BUVRLJJBSA-N 486.999 6.819 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 408799735 KQFUOIOYXIDTJW-RCCKNPSSSA-N 487.386 7.580 50 40 JKGB Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1 408803869 BBPPTAQIBCJQQQ-CJLVFECKSA-N 497.392 7.035 50 40 JKGB Cc1oc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1Br 408861645 ULFNKMAFFUYGAA-OGLMXYFKSA-N 494.433 5.569 50 40 JKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)c1 408869834 UGECZELGKDIUPN-ZTKZIYFRSA-N 472.588 7.019 50 40 JKGB N#C/C(=C\c1ccccc1Cc1ccccc1Cl)C(=O)Nc1ccc(Br)cc1 408869875 SGKKXXFOHRVJAX-XMHGGMMESA-N 451.751 6.239 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OCc1ccc(C)cc1 408892385 ZBQDGAHAMBDYBV-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)c(F)c1 408968216 UTYMVYHDUDUDDJ-XAZZYMPDSA-N 492.337 6.500 50 40 JKGB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12 409000545 XJFVPCZUFLUYCO-PUFQGMHOSA-N 471.560 6.005 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1)c1nc2ccccc2o1 409057534 PSNACDZKXHYMGW-SFQUDFHCSA-N 474.314 5.672 50 40 JKGB CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(C)cc3C)=C2C#N)cc1 409316592 LPENIGPEDYTDND-IBGZPJMESA-N 451.617 5.044 50 40 JKGB COc1ccccc1NC(=O)COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 409369646 DKCWGIFNGPAJDY-LDADJPATSA-N 495.457 5.277 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N/N=C/C=C/c1ccccc1 2332348 MQSOHOMMQILWTO-MPCPQKGKSA-N 473.989 5.495 50 40 JKGB CC(C)(C)[C@H]1CCc2nc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc(Cl)cc4)o3)sc2C1 3207591 LGEVCIOOVXTHIX-MOKGIYGOSA-N 466.006 6.753 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C 8812760 FQLOOYDCGRZYKE-WYMPLXKRSA-N 460.759 5.283 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1ccc(Br)cc1 9200853 AKFBKWORYRXCIV-CVKSISIWSA-N 467.363 5.499 50 40 JKGB CC1=C(C(=O)Nc2cccc(C)c2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1 9512245 JWKFLXJAQQRYMM-RUZDIDTESA-N 484.581 5.295 50 40 JKGB CCCCCCc1ccc(OCCOc2c(Br)cc(/C=N/NC(C)=O)cc2OC)cc1 13896514 OJDDLOZCXJQISN-YZSQISJMSA-N 491.426 5.508 50 40 JKGB CO[C@@H](C(=O)N/N=C/c1c(Br)c(C)n(-c2cc(C)ccc2C)c1C)c1ccccc1 20243805 QITFWKZEAUMEQA-SIBVSACJSA-N 468.395 5.311 50 40 JKGB CCC/C(=N\NC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)c1ccc(Cl)s1 20581214 NDGGOPSLVQPRIB-JJKYIXSRSA-N 476.045 7.674 50 40 JKGB Cc1c(/C=N/NC(=O)c2ccccc2Br)c2ccccc2n1Cc1ccc(Cl)cc1 20761107 LHLGDHKLDAESPO-MZJWZYIUSA-N 480.793 6.178 50 40 JKGB CC(C)(C)[C@H]1CC2=C(OC(N)=C(C#N)[C@H]2c2cccc(Cl)c2)/C(=C/c2cccc(Cl)c2)C1 22002262 NVXPHPHALPJSSC-ZVCNKNMCSA-N 465.424 7.595 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1cccc(NS(C)(=O)=O)c1 22751348 KACZTMXROWANTA-NTFVMDSBSA-N 492.988 5.081 50 40 JKGB CCOc1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc1OC 32576914 CFQYDMKSYVECER-NTFVMDSBSA-N 488.613 5.043 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OC(C)C 33380507 YLNWKEYOEULGDI-LSHDLFTRSA-N 492.351 5.132 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(C)cc1 59245216 KDWJXLQJLLHASQ-DEDYPNTBSA-N 471.469 5.067 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1ccc(Cl)cc1 59297485 NAXXVSKCUVFIOZ-GZTJUZNOSA-N 477.860 5.022 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1cc(C(=O)O)ccc1Cl 59336331 QCDFVSRQLQDXGD-SXGWCWSVSA-N 488.758 6.298 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(F)cc1 59536341 ZTDMUFWYOGONQB-UDWIEESQSA-N 464.924 6.311 50 40 JKGB Cc1ccc(S(=O)(=O)n2cc(/C=C(\C#N)C(=O)Nc3c(C)cccc3C)c3ccccc32)cc1 98053854 GMZRJQVLMPQOCH-RCCKNPSSSA-N 469.566 5.349 50 40 JKGB CC1(C)C[C@@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)C1 101108450 ZERXVHMDNIWWAX-BXIHNIFSSA-N 499.442 5.332 50 40 JKGB CCCCCCCCCCCCCCCCCCC[C@@H](I)CC(F)(F)F 103528692 MVGPEYWZFJIDDD-OAQYLSRUSA-N 490.476 9.784 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)C3=C(O)CCCC3=N2)cc1Cl 104080435 SGRJVIWFGQTYQL-HSZRJFAPSA-N 481.980 6.429 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1cccc(C(=O)O)c1 408566905 BKJSDFRMJOMOPH-IUXPMGMMSA-N 477.879 5.705 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Br)c2)c1 408761981 IMSOWBWNKQKLGL-XDHOZWIPSA-N 463.331 5.582 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1ccc(I)cc1 408767506 LUXQUBPFYSXPIG-WQRHYEAKSA-N 458.730 6.416 50 40 JKGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c(-c2ccccc2)n1-c1ccccc1 408772551 MYBOMQIDEMXYEX-CGNIDFOKSA-N 468.564 5.660 50 40 JKGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 408777076 VFAFELPWANODQP-FLOSOGMCSA-N 482.005 5.130 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 408787622 CTRWRLQDNWTHNK-KGENOOAVSA-N 461.359 6.136 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)cc1 408793196 DKQTWJKIGROPBO-HZHRSRAPSA-N 452.941 6.926 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC 408823420 FGMUEEDDXRZKFS-XDHOZWIPSA-N 497.378 6.525 50 40 JKGB COc1ccccc1N1CCN(Cc2ccc(C(=O)N/N=C(\C)CC(C)(C)c3ccccc3)cc2)CC1 408839628 BJCXJCZKNUYUIR-FEZSWGLMSA-N 498.671 5.491 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccc(Cl)cc1 408844517 DKTKYYOCRWUWRQ-YBFXNURJSA-N 486.768 7.283 50 40 JKGB O=C(N/N=C\c1cccn1-c1ccc(Br)cc1)Nc1cccc(Br)c1 408852868 WRTMTKAANQMUPB-MTJSOVHGSA-N 462.145 5.158 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408854985 LMKATRODIOLODA-IPBVOBEMSA-N 496.221 7.260 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(OC)c1 408880236 GTDCSUDEHRRBJX-OQLLNIDSSA-N 457.313 5.494 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1Cc1cccc(F)c1 408881890 KWNCDOJBXWMRAQ-RGVLZGJSSA-N 493.376 6.432 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])ccc1OCc1ccccc1 408881894 OYGZQBSXWNFPEG-KGENOOAVSA-N 457.486 5.427 50 40 JKGB COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 408882154 NQSRHIUZLCQGNO-JLHYYAGUSA-N 468.263 5.172 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1 408893714 GXSHTXXQXYESOR-CAPFRKAQSA-N 452.897 6.258 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1 408893857 GJGVTTPHWOVYTL-VCHYOVAHSA-N 471.771 7.080 50 40 JKGB Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 409000268 YDAKHWGWHICUHJ-APTWKGOFSA-N 491.566 6.729 50 40 JKGB CCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br 409031148 JATMNCYKBVZFLY-YUMHPJSZSA-N 474.358 5.827 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409056472 MINGPHAEVYQCFY-XDHOZWIPSA-N 475.932 5.220 50 40 JKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 409092825 ZKGSTMQBLWNQMX-PTNGSMBKSA-N 459.785 7.344 50 40 JKGB O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 409220381 YIFKWDWBSARDOO-RAWMCFOBSA-N 482.150 6.283 50 40 JKGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 409246058 DHAVAWGDBLPTHY-DHDCSXOGSA-N 495.295 5.977 50 40 JKGB Cc1ccc(C)c(CC(=O)N/N=C\c2cc(C)n(-c3ccc(C)c(Br)c3)c2C)c1 409363613 MPCBUAYKFXGTKR-WGARJPEWSA-N 452.396 5.475 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(OC)cc2O)ccc1OCc1cccc2ccccc12 409391285 IWPOPMCMDYCQJG-STBIYBPSSA-N 470.525 5.296 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(N)=C(C#N)[C@@H]2c1cc(Br)cs1 705719 ZYMQDSCZWUKKIM-LJQANCHMSA-N 472.383 5.591 50 40 JKGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccc(-c2ccccc2)cc1 2322183 UUWXTVTYUHLQLO-TWKHWXDSSA-N 489.604 5.844 50 40 JKGB N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 2743791 XZXVQNCEBPARDA-XMHGGMMESA-N 458.443 6.104 50 40 JKGB Cc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1ccc(Cl)cc1 6177791 KYRNWYOEFCYHDC-OKCVXOCRSA-N 482.971 5.366 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/C=C/c1ccco1 9007598 XZXJZUMDRAAORR-WFAHUBIASA-N 469.998 5.604 50 40 JKGB COc1ccccc1[C@H]1C(C#N)=C(SCc2ccco2)NC(C)=C1C(=O)Nc1ccccc1 9761184 ORDWGKBHTGQSBK-DEOSSOPVSA-N 457.555 5.556 50 40 JKGB C[C@@H]1Cc2cc(/C=N/NC(=O)c3ccc(-c4csc(Nc5ccc(Cl)cc5)n4)cc3)ccc2O1 10299232 ZQNZPBBRPGTMSQ-KXVDBBMMSA-N 489.000 6.294 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@@H]12 11612186 SHGQHJXEYIXIDA-OKNVFKEHSA-N 467.572 6.307 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(CCCC3=O)N2)c1 13174282 DJBLBMXUPUBROF-QHCPKHFHSA-N 463.990 5.449 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCC 15945255 UHCKIBVSFBYPTM-YVLHZVERSA-N 490.341 5.251 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCCC)c(OCC)c2)cc1 20198039 CSBCTOFZYALCND-BUVRLJJBSA-N 463.372 5.189 50 40 JKGB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1 20347800 YFLACLGIBABMRR-VWLOTQADSA-N 485.565 5.091 50 40 JKGB ClCCN(CCCl)c1ccc(/C=N/c2ccc(/C=C/c3ccnc4ccccc34)cc2)cc1 38142101 HLSCFSNLCFKPKZ-RUHOTKRMSA-N 474.435 7.440 50 40 JKGB N#CC(C(=O)CSC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1)=C1Nc2ccccc2N1 38173481 QOUSDQVEISZZGW-UCQKPKSFSA-N 495.539 5.144 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCc1cccc2ccccc12 59435245 XWCLQPWGNDKMBX-MUFRIFMGSA-N 496.592 5.546 50 40 JKGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c1 59473190 JEGLEDQQYVIZGT-MZJWZYIUSA-N 453.007 5.919 50 40 JKGB COc1ccc(C[C@H](C(=O)N/N=C/c2ccc(N(CCCl)CCCl)cc2)c2ccccc2)cc1 104049622 MRFYCXGEJGKZQJ-RLBBTWETSA-N 498.454 5.456 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC 105673060 BUNADOZKCGMKAO-QNGOZBTKSA-N 454.998 6.942 50 40 JKGB N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccccc1I 108209434 RZRYIUTZSDPURW-KAMYIIQDSA-N 485.237 5.005 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)cc1 252487809 IBTYSMGKGMOLDC-XNTDXEJSSA-N 464.365 6.838 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)c1ccc2ccccc2c1 408548832 LUUNWEIKKWELDG-MYKKPKGFSA-N 455.344 7.661 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 408555151 VWHIFWCEUHFVCQ-ZMFRSBBQSA-N 456.329 5.083 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1OC 408580269 BQDADIBAYUZBBE-BUVRLJJBSA-N 451.522 6.509 50 40 JKGB CCOc1ccc(CC(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408711929 QZSDPUAPAHWHSI-MBTHVWNTSA-N 487.383 5.673 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSCc2ccccc2)ccc1OCc1cccc(Cl)c1 408720296 XUZLAAKMZILSHK-JFLMPSFJSA-N 469.006 5.701 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1Cl 408724405 JVHSXTLQZCUSBB-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1cccc(F)c1 408763490 SKCCJCZLIICPGE-ZDLGFXPLSA-N 481.321 5.721 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)cc1[N+](=O)[O-] 408764327 RCXIYGNJDXJROS-ZDLGFXPLSA-N 479.334 5.619 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1cccc(F)c1 408796001 NWNUYNQXUXBVFB-YBFXNURJSA-N 480.923 6.011 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1ccccc1 408845766 HIFGYKDECPGJKJ-MIXAMLLLSA-N 454.526 5.903 50 40 JKGB C=CCOc1c(CC=C)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC 408857456 OIKSVIHFMGKGHL-QFEZKATASA-N 469.335 5.261 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2F)cc1 408865730 DLYJYUCEFJRDEP-KGENOOAVSA-N 462.908 5.792 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1OCc1cccc(C)c1 408875265 IHEDXJUIQRIJLK-OEAKJJBVSA-N 474.988 6.734 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408878562 ANAYAMXFYXEPFE-LFIBNONCSA-N 482.279 5.666 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1Cc1ccccc1Cl 408881375 JAOHVRRHJHGXQU-LICLKQGHSA-N 471.771 6.792 50 40 JKGB Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(Sc3cccc4cccnc34)c([N+](=O)[O-])c2)n1 408994549 ZQAKVQZEVSNKKX-XDHOZWIPSA-N 455.499 5.355 50 40 JKGB O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1 409014210 GNSXXVULCDQRON-SRZZPIQSSA-N 463.993 5.703 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1nc2ccccc2o1 409081055 FZBJLXPSLWGGNR-RVDMUPIBSA-N 451.360 6.611 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCc3ccc4ccccc4c3)cc2c1 409183647 FFZGWIOCAUZDAA-YKQZZPSBSA-N 464.521 6.328 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccccc2OCc2ccccc2)ccc1OCc1ccccc1 409325025 WRFPBUGKOVDNAI-GTWSWNCMSA-N 480.564 6.007 50 40 JKGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2CCc2ccccc2)c(OC)c1 959465 GULJFWWDZPCDTP-HAVVHWLPSA-N 455.510 5.170 50 40 JKGB COc1ccc(C(=O)N[C@@H](C(Cl)(Cl)Cl)P(=O)(c2ccccc2)c2ccccc2)cc1 1738791 BXLIZGLXFVOLCF-OAQYLSRUSA-N 482.731 5.135 50 40 JKGB CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccccc1F)=C(C#N)[C@@H]2c1ccc(Cl)cc1 9013020 OVXFSFRWZALDTM-QHCPKHFHSA-N 496.007 5.916 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccc(C)cc1 9204689 ZWSRWPNYDNAKNJ-JVWAILMASA-N 481.390 5.428 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 12363869 NUGGCPZWZVECGF-XDHOZWIPSA-N 467.352 6.517 50 40 JKGB C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1 13152492 PDXZHFKMADGLOP-WPWMEQJKSA-N 451.979 5.366 50 40 JKGB CCOP(=O)(OCC)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1 15081956 OVVAIXOIAXMJOK-IBGZPJMESA-N 455.407 5.037 50 40 JKGB Cc1cc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)cc3)c2C)ccc1I 16282356 XUFJXQRKLSFKCB-UNOMPAQXSA-N 472.757 6.725 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc12)C(=O)NCc1cccs1 59087067 DOFNJNDLUBCALD-LICLKQGHSA-N 494.389 5.876 50 40 JKGB O=C(N/N=C/c1ccc(OC2CSC2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 59473795 BXLOYTSRAFYJBJ-LGJNPRDNSA-N 469.031 5.890 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@@H]1C[C@H]2[C@@H](c3cc(Cl)ccc3N[C@H]2c2ccccc2)[C@H]1Cl 101147901 XZHNHHBEPYCAEN-BQEPTVRSSA-N 471.409 7.287 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccn2)ccc1OCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 105460422 KKYLSUGHMCHASF-ZHOREOQDSA-N 459.590 5.350 50 40 JKGB C[C@@H]([C@H]1CCC[C@@H]1P(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1 138090060 IHERDRRKNNMAEF-RVQNBHMFSA-N 478.641 8.824 50 40 JKGB C=CCOc1c(I)cc(/C=C(\C#N)c2ccc3ccccc3c2)cc1OC 408549296 SDNNSMLXDVWXRA-RGVLZGJSSA-N 467.306 6.082 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 408744468 LIQOTOJORHYCMJ-RGEXLXHISA-N 490.390 6.941 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(F)c1 408795751 MMICVVMTUVFNQE-KEBDBYFISA-N 464.924 6.229 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCc1c(C)ccc2ccccc12 408804676 GMJCRIBSFLLBMH-LFVJCYFKSA-N 462.549 6.590 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2cc(C)cc(C)c2)c(Br)c1 408868092 NMBMJDOHJYATSI-ZVHZXABRSA-N 473.414 6.765 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1c(C)ccc2ccccc12 408877172 QMKSYIGLJHBJDT-PXLXIMEGSA-N 466.512 6.421 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OC(=O)c1cccc2ccccc12 408879525 GRPOFBUNCOFJKZ-UXHLAJHPSA-N 482.536 5.539 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1cc(Cl)ccc1Cl 408889807 HGFUGVDETJLTFR-LZYBPNLTSA-N 492.189 7.425 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1cccc(C(F)(F)F)c1 408961658 DAVCHLDPCLCMCA-KVSWJAHQSA-N 495.270 5.950 50 40 JKGB COc1cccc2cc(C(=O)N/N=C/c3ccccc3OCc3ccc(Br)cc3)oc12 408971908 LTYQXTDJCOHURQ-VULFUBBASA-N 479.330 5.547 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1 409042391 MRMZUWOZNLNKAP-LDADJPATSA-N 480.351 5.865 50 40 JKGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(Br)c1 409047544 MXHAWYYJDFITDD-JUVRYVQVSA-N 466.379 5.176 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(F)cc2)c(Cl)c1 409055986 KIRVSAYWMYJPQS-RPPGKUMJSA-N 475.745 5.893 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OCc1cccc(Cl)c1 409074201 SLIBNMUTHCOARM-FYJGNVAPSA-N 493.390 6.855 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Cl)c1OCc1cccc(F)c1 409123601 HORSTLPUFVTXSA-HSZRJFAPSA-N 466.896 5.381 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(Cl)c(Cl)c1 409124313 BGOMTHHBGLSWSK-DEOSSOPVSA-N 483.351 5.895 50 40 JKGB C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 409141654 JKUOURHXOCBBJN-SGWCAAJKSA-N 477.630 5.294 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1Cl 409258726 ZQEYKIFYRRPWHW-ZDLGFXPLSA-N 490.903 5.120 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)NCCc1c[nH]c2ccccc12 2305308 BUZCWELQCJCKPT-QGOAFFKASA-N 460.331 5.456 50 40 JKGB aggregator COc1ccc(-n2c(-c3ccccc3)cc3c2CCC(C=O)=C3Sc2ccccc2Cl)cc1 8782265 FFYHYEIYPYUJQL-UHFFFAOYSA-N 472.009 7.455 50 40 JKGB CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3ccc(Cl)c(Cl)c3)ccc21 12413780 YISXBAOTHVLSDX-WKULSOCRSA-N 481.383 6.256 50 40 JKGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1 13174332 MJSDBAUXUSALCC-XMMPIXPASA-N 478.017 5.703 50 40 JKGB C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 20059464 SCAOZWGXPLXRCB-JJKYIXSRSA-N 497.620 5.545 50 40 JKGB COc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Br 33351134 BRVXPYOPZHGGEG-YSMPRRRNSA-N 460.331 5.437 50 40 JKGB CCOc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1 35214301 CPIQDSDSBBKFFG-QRQIAZFYSA-N 457.530 5.429 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1 59536441 HSOCYGNSCHTQBF-CPNJWEJPSA-N 466.946 5.270 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1cccc2ccccc12 83293170 HONTUFFAJGTXFT-YKQZZPSBSA-N 484.552 5.599 50 40 JKGB CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)P(=O)(c1ccccc1)c1ccccc1 104168607 PKCIWGCEYKSKQP-NDEPHWFRSA-N 484.492 5.770 50 40 JKGB Cc1ccc(C(C)C)c(OCCn2cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c3ccccc32)c1 111902756 JRXJAPYXAITYES-GOOXQAOHSA-N 471.601 5.354 50 40 JKGB CCCCC/C=C\C[C@H](Cl)[C@H](Cl)CCCCCCCC(=O)[C@@H](C(=O)O)[C@H](O)C[N+](C)(C)C 263583737 WZOYZEOQYHNNJM-IHITVRSSSA-O 495.552 5.796 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC 408539647 XVPOAJVRIFEXBB-DEDYPNTBSA-N 471.395 5.640 50 40 JKGB N#C/C(=C\c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1)C(=O)Nc1ccc(F)cc1 408554156 ZVMZICLARMODQF-MHWRWJLKSA-N 484.314 5.696 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1C 408601434 AXTAFMNTKAHRQK-UVHMKAGCSA-N 470.356 5.278 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 408744285 KEDBZZJIZFJSMI-UYRXBGFRSA-N 467.352 6.517 50 40 JKGB CC(=O)Oc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Br)cc3)c2C)cc1 408744977 OGZMNIFPLRVIBA-UYRXBGFRSA-N 478.346 5.328 50 40 JKGB Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2C)ccc1Br 408746805 VXJLABNUMYXJLF-PDGQHHTCSA-N 468.782 6.364 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1cccc(Cl)c1 408802274 YTMQOLQGYCDWBV-RGVLZGJSSA-N 481.379 6.825 50 40 JKGB COc1ccc2ccc(OC)c(/C=N\NC(=O)c3ccc(-n4c(C)ccc4-c4ccccc4)cc3)c2c1 408812248 OBLSJZPKQJHEHS-RGXNXFOYSA-N 489.575 6.387 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C 408863880 VBQPJIJMCOBYJE-LICLKQGHSA-N 450.882 5.210 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)ccc1OCc1ccc(C)cc1 408866687 HXETTZUIFKTDPM-ZVHZXABRSA-N 486.568 5.213 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1Cc1ccccc1Br 408867548 KLGJSEMUOSBNAX-DEDYPNTBSA-N 479.349 6.123 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 408883260 UPFSNXQNGMMVHW-FYJGNVAPSA-N 450.460 6.447 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1Cc1ccccc1F 408884231 XHVRBDDMSRDSDE-WOJGMQOQSA-N 450.897 5.720 50 40 JKGB O=C(N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cc2ccccc2o1 408952715 VOOPDYASDIYPRV-KSEXSDGBSA-N 475.751 6.357 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(F)c1 408967701 RTKPLTNUKHMULC-XKJRVUDJSA-N 465.315 5.771 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1Cl 409054249 TVSHURYWGJDUBW-DHRITJCHSA-N 457.755 5.754 50 40 JKGB CN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C2=C1CCCC2=O 409126352 BHKCJBZMACVKHV-QFIPXVFZSA-N 488.802 5.956 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1OCc1ccc(C(=O)O)cc1 409186456 CFYMYBOGNOPJST-HMAPJEAMSA-N 456.498 5.135 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccc(C)cc1 409226367 VJWDQSFGHZDOCH-PXLXIMEGSA-N 469.541 5.265 50 40 JKGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccccc1OCc1cccc2ccccc12 409343773 IFARJEYMGRRPJV-MUFRIFMGSA-N 488.385 5.744 50 40 JKGB COC(=O)c1ccc(Cn2cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)o1 409392735 NIBOLRFUWVMURL-KBKYJPHKSA-N 470.312 5.140 50 40 JKGB N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)s1 713477 WOWFPNSQAVDSCP-SFHVURJKSA-N 494.336 5.834 50 40 JKGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 1097692 HMYQCOJPSWVLSU-HSZRJFAPSA-N 463.990 5.449 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OCc1ccccc1Cl 1438745 UQSVROZCRRJPSU-YBFXNURJSA-N 462.889 5.171 50 40 JKGB COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 1831600 DLDYMJBSQHVRSG-RDRPBHBLSA-N 499.640 5.483 50 40 JKGB CC(C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NN(c1ccccc1)c1ccccc1 3142908 KLUDPXNVBUMADW-AREMUKBSSA-N 496.567 5.156 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3C)nc3ccccn3c2=O)cc1 9307561 AQVSKWMTJPACJC-CAPFRKAQSA-N 480.524 5.048 50 40 JKGB N#C/C(C(=O)Nc1ccccc1)=C1/S[C@@H](Cc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1 9909878 FUCUVRXJXRHOPJ-JSIHEXFSSA-N 461.493 5.030 50 40 JKGB O=C(N/N=C/C(c1ccccc1)c1ccccc1)c1ccccc1OCCOc1ccccc1 12311315 MEACFHQCUSOALR-JBASAIQMSA-N 450.538 5.692 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(Br)c1 12375264 MJGUDUXJAXQNOD-UNOMPAQXSA-N 477.314 5.272 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1cccc(Br)c1 15012616 KNWWKYUKBVLKBO-MDWZMJQESA-N 471.694 5.606 50 40 JKGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 15230801 OAGYRMPCCOJNSQ-JJFYIABZSA-N 494.754 5.448 50 40 JKGB COc1ccc(C(=O)N/N=C/c2c(Br)c(C)n(-c3ccc(C)cc3C)c2C)cc1OC 20243867 BRGOZTQZENNYKS-LGJNPRDNSA-N 484.394 5.255 50 40 JKGB O=C(NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)Nc1ccc(Cl)cc1 26780097 SUIXSLOIUVWFBO-UHFFFAOYSA-N 468.991 5.709 50 40 JKGB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C\c1ccccc1 30828581 CNJGAJSEIDQQAF-WGARJPEWSA-N 482.396 5.484 50 40 JKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 31911634 FVALOFSEFLAQMT-BHZNVDEZSA-N 488.012 6.022 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 33575652 KNFZMDXYNPYXPU-JFLMPSFJSA-N 475.888 5.704 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(Br)cc2)ccc2ccccc12)c1ccc(C(=O)O)cc1 33680148 JFUWETRFIMYDQA-JCMHNJIXSA-N 484.349 6.944 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 58913182 VGDXSHDYJRULPR-KBKYJPHKSA-N 477.779 5.452 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 59459742 ZAPRVDTYACYDNB-XODNFHPESA-N 475.854 5.027 50 40 JKGB CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 102623734 MCQIVHRJFOVENK-XMMPIXPASA-N 478.017 6.544 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(Cl)cc1 209658716 VXVZWKGULKZLQM-PDGQHHTCSA-N 460.990 6.105 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c(C)n1-c1cccc(Br)c1 408591443 TUVOVXRLSSHCEV-JVWAILMASA-N 466.423 5.847 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2C#N)c2ccccc12 408735438 RXGFOPMQGAJUJD-FYJGNVAPSA-N 450.929 6.069 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1cccc([N+](=O)[O-])c1 408744541 LXWQZUQJPVQJBU-BKUYFWCQSA-N 457.486 5.427 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)c1 408745997 QACAUMKJPYGCKM-QJOMJCCJSA-N 456.590 5.885 50 40 JKGB Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 408749902 JVXVQAMCSAARBO-LQNQUEJISA-N 492.406 5.787 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2)CC1 408787903 APXXUOAMYOMBRI-JWGURIENSA-N 492.406 5.828 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1C#N 408791100 TZPGWTNQLZJTCB-RGVLZGJSSA-N 492.362 6.388 50 40 JKGB Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccccc3OC(=O)c3cccc(C)c3)cc2)cc1 408848956 XKIPQMDQCMQBIS-ZCTHSVRISA-N 491.547 5.539 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 408869285 QMHVSDJICAQKAX-OQLLNIDSSA-N 495.295 5.977 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(OC)c2)cc1 408876247 KIGCIVAHWYGCNX-KGENOOAVSA-N 491.385 5.993 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1cccc2ccccc12 408886679 LFXSODAKWVVFQV-HZHRSRAPSA-N 478.504 5.671 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1OCc1cccc2ccccc12 408889088 DMQHWVPMEBAHMD-CJLVFECKSA-N 468.940 6.626 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1cc(C)cc(C)c1 408891201 MXMYFVWKUKLPPQ-HYARGMPZSA-N 460.961 6.480 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1 408965424 HJQYNGKAKUBQPP-FDAWAROLSA-N 461.569 5.814 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Cl)Nc1ccc(F)cc1 408967278 PSHFIZXIOLOLPU-XKJRVUDJSA-N 493.844 5.279 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)cc1Cl 408990694 YFFWKNRZGZSGIS-SDQBBNPISA-N 476.703 6.669 50 40 JKGB N#Cc1ccccc1COc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 409031338 ACLZAGFJJXWZAP-UCMJSZAQSA-N 482.543 6.116 50 40 JKGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1 409144894 LPGORRYZAGPOIZ-AFUMVMLFSA-N 457.755 5.374 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OC)c1OCc1ccc(Cl)cc1Cl 409192730 ZUVIMWVMCVYNJF-NDENLUEZSA-N 485.411 6.275 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1 409272038 XXHHIIMAUWFBJL-ZMFRSBBQSA-N 456.329 5.083 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2Cl)cc1OCC 409325402 YHZPFCDLIWWUDW-QRQIAZFYSA-N 466.965 5.870 50 40 JKGB COc1ccc(CC(=O)N/N=C\c2cccc(OCc3cccc4ccccc34)c2)cc1OC 409366151 STEKVEIKJBFLFD-MIXAMLLLSA-N 454.526 5.129 50 40 JKGB O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 1099985 FUSIMTYXNSTTAU-WKULSOCRSA-N 469.928 5.183 50 40 JKGB C[C@H](Cl)CN(Cc1cc(CN(C[C@H](C)Cl)C[C@@H](C)Cl)c(O)cc1O)C[C@@H](C)Cl 1719312 WNASTKNKLFHUNC-GEEKYZPCSA-N 474.300 5.211 50 40 JKGB N#CC1=C(N)Oc2cccc(O)c2[C@H]1c1cc(Br)ccc1OCc1ccc(Cl)cc1 2747814 LMAQVWNZLLKBIT-NRFANRHFSA-N 483.749 5.605 50 40 JKGB O=C1C(O)=C(CCCCCCCCCCOC(=O)N(CCCl)CCCl)C(=O)c2ccccc21 4715267 VJUZHTUDHAJIDD-UHFFFAOYSA-N 498.447 6.305 50 40 JKGB C/C(=N\NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccc(OC(F)F)cc1 5916552 KTYVQRZYHXIIBF-WKULSOCRSA-N 466.513 5.611 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1cccs1 9013275 NSKDJSIRLHCHAG-ODLFYWEKSA-N 455.055 5.178 50 40 JKGB CCOc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C(=O)OCCN(CC)CC)cc3)n2)cc1 9076526 MMOSYVYJEXOYNT-PYCFMQQDSA-N 490.629 5.684 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 9311217 IISATBPQBJKGBR-JJIBRWJFSA-N 465.528 6.358 50 40 JKGB Cc1cc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCCC(C)C 13810353 RLJJPSYUXMVODY-QEYQTOMISA-N 498.627 5.475 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 15012343 YSJBYXBOYWPZAS-UNOMPAQXSA-N 465.322 6.021 50 40 JKGB COc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1 28350654 XLRLRANPIKTTRV-QRQIAZFYSA-N 479.005 5.379 50 40 JKGB O=C(Cc1ccc([N+](=O)[O-])cc1)NN/C1=C(\C(=O)C(F)(F)F)CCCCCCCCCC1 59488977 XMDCDMWULXTTCB-HNENSFHCSA-N 455.477 5.058 50 40 JKGB CCCCCCCCCCCCCCCCCCCCCCCCCCCCBr 100308560 DIGPMZDZIQAPIL-UHFFFAOYSA-N 473.668 11.544 50 40 JKGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)C2=C(O)CCCC2=N1 103886501 LXOUVHSMUBGLPA-HSZRJFAPSA-N 463.990 6.290 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)c1ccc(Cl)cc1Cl 408581075 UETXIOGJJCXMMV-FRKPEAEDSA-N 493.173 7.642 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccc(C)cc1 408581437 WRDIBZOEULZPRP-WSDLNYQXSA-N 463.961 6.708 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)NNc3ccccc3OCc3ccccc3Cl)CC2=O)cc1C 408603255 FZPQXUATYKCTLW-FQEVSTJZSA-N 463.965 5.032 50 40 JKGB O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32 408689521 SBGNIKIVFOLWBX-NENAYYCWSA-N 478.342 5.142 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)o1 408741076 NSTSSHHYAZYNIT-MZJWZYIUSA-N 476.920 5.988 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc1Br 408756731 WYSBXJNQMNWVML-NTUHNPAUSA-N 480.156 5.165 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408790636 QIZKSWYEOWRIPJ-GIJQJNRQSA-N 497.334 5.825 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1C 408838107 CDFSXOUXKSHUNB-JFLMPSFJSA-N 456.571 5.943 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2ccccc2F)cc1 408866172 GFWHIQXKYJUYMW-HYARGMPZSA-N 458.489 5.147 50 40 JKGB Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(I)cc3)o2)c([N+](=O)[O-])c1 408880087 HBGQBKATLFHVOZ-SDNWHVSQSA-N 499.264 5.314 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1Cc1cccc(F)c1 408884007 WJZQLESCITTXEE-YBFXNURJSA-N 483.768 6.687 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OCc1ccccc1Cl 408896197 QBWKFGJFBLVXOC-GZTJUZNOSA-N 487.770 6.780 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)n1-c1ccc(Br)cc1 408922812 GQZQEHKUBYJRHX-MHWRWJLKSA-N 499.752 5.964 50 40 JKGB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccccc1OCc1ccccc1 408979786 ONNQKQBXZZCSBP-UGFFDMHVSA-N 477.564 5.277 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12)C(=O)Nc1ccc(O)cc1 409049393 WNRLNZARNSAMKS-UDWIEESQSA-N 489.358 6.977 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 409123426 GFVDACSPZLRKHP-JOCHJYFZSA-N 473.743 6.150 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1F 409187971 DVJMYRRVAGKGMF-UVHMKAGCSA-N 461.320 5.874 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1 409225743 ONDPAIOQFHNKQQ-LDADJPATSA-N 480.351 5.865 50 40 JKGB COc1cc(C(=O)N/N=C\c2ccccc2OCc2ccc(F)cc2)ccc1OCc1ccccc1 409323807 QVOVFELYMQAZQE-MNBJERMJSA-N 484.527 5.756 50 40 JKGB O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 409354724 BMDIUMBTWNCCGZ-FOKLQQMPSA-N 477.156 5.034 50 40 JKGB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H](Br)[C@@H](Br)c1ccnc2ccccc12 1754509 OVEVOPGYRGCOMR-IRXDYDNUSA-N 464.113 5.225 50 40 JKGB in-vitro CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)sc(C)c1C 1773207 SLXZXOZXXDDDRT-KGENOOAVSA-N 488.565 5.615 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccccc3)n2-c2ccc(Cl)cc2)cc1 1904157 BQCYEWHLIZBMGD-AZDFISSRSA-N 488.016 5.804 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2344112 QSCFJPUVFLOYGX-RDRPBHBLSA-N 483.641 5.783 50 40 JKGB CC/C(=N\NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)c1ccc(Cl)s1 8454668 NHDHCJUSWAYLNT-MWAVMZGNSA-N 476.045 7.458 50 40 JKGB CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 8856763 LKLUGWCJNZQSDA-PTGBLXJZSA-N 473.580 6.905 50 40 JKGB Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2ccc(OCCc3ccccc3)cc2)n[nH]1 9110062 PCAYJHBDYVWVCQ-RDRPBHBLSA-N 463.541 5.252 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1cccc(C)c1 9324100 VVLDFTZYLDSLTA-VULFUBBASA-N 459.458 5.001 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(Br)c2ccccc12 9836770 LMRFNYCZARPPEV-CPNJWEJPSA-N 490.426 6.295 50 40 JKGB Cc1cccc(C)c1OCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1Cl 13881171 SJEHZSOEXRINEI-DEDYPNTBSA-N 450.922 5.231 50 40 JKGB CC(C)(C)c1ccc(OCCn2cc(/C=C(\C#N)C(=O)NC3CCCC3)c3ccccc32)cc1 15931754 UMCDZGMMNWEJOX-DYTRJAOYSA-N 455.602 5.984 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccccc1Cl 20348481 QIOMSPAPMFRDDI-QHCPKHFHSA-N 497.979 5.276 50 40 JKGB CC(C)(C)[C@@H]1CC2=C(OC(N)=C(C#N)[C@H]2c2cccc(Cl)c2)/C(=C/c2cccc(Cl)c2)C1 22002256 NVXPHPHALPJSSC-JTOWPZHPSA-N 465.424 7.595 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(C)cc1 59225109 OSVMBSOYHFDXAI-HYARGMPZSA-N 460.961 6.480 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C 59333105 HPKWFCHYXBRLPW-JWGURIENSA-N 474.992 5.012 50 40 JKGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Br)cc3)c2C)c1 59427015 PKANCBZCUSCSGZ-DHRITJCHSA-N 454.368 5.003 50 40 JKGB COc1ccc(OCCn2cc(/C=C(\C#N)C(=O)NCc3cccs3)c3ccccc32)cc1 59534538 GKUORGRSBWMHEN-XDJHFCHBSA-N 457.555 5.014 50 40 JKGB N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 408552861 LDTWVPGMOIGRQM-GHRIWEEISA-N 476.026 6.849 50 40 JKGB O=C(N/N=C/c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)C(=O)Nc1ccc(F)cc1 408608186 GRWHSWBPQUKONN-LUOAPIJWSA-N 494.737 5.454 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(Br)cc1 408745561 NVXOLGIGKVMDTD-STZFKDTASA-N 491.385 6.281 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(C)c(C)c1 408797319 CJKYOQPUQLMDIH-MFKUBSTISA-N 454.570 6.444 50 40 JKGB N#C/C(=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)C(=O)Nc1ccccc1Cl 408810638 JIYDNDUCNSOMBG-HMMYKYKNSA-N 483.911 6.526 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OC(C)C 408818532 XDEALQIJVQDJFW-OVCLIPMQSA-N 474.311 5.089 50 40 JKGB Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 408841627 FVMYCPFXGGQNDU-ZCTHSVRISA-N 491.547 5.539 50 40 JKGB O=C(N/N=C\c1cccc(Br)c1)c1sc2cc(Cl)cc(Cl)c2c1Cl 408969208 JFWYXMHHWJQPEJ-YXSASFKJSA-N 462.583 6.388 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(OCC(=O)Nc2cccc(C)c2)c1 409049353 WHUYDWVWIJMFHQ-XDHOZWIPSA-N 475.932 5.220 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409054399 FUQMNCRJQVKEOW-GZTJUZNOSA-N 479.895 5.051 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1)c1nc2ccccc2o1 409073404 HLUCWCQIYNFMKT-RQZCQDPDSA-N 465.292 6.476 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 409208884 DVVKNJABLBQCSX-LGJNPRDNSA-N 488.396 5.253 50 40 JKGB O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1cccc2ccccc12)c1ccc(Cl)cc1Cl 409219735 UJUWDPUAMBFFJC-NUJZUDFISA-N 497.765 6.783 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(F)c2)cc1OCC 409312078 JUAVEQKJNZHCRD-MWLSYYOVSA-N 484.955 6.010 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3cccc4ccccc34)c2)cc1OCC 409315021 MAHLEDPABDDJDX-GTWSWNCMSA-N 480.564 6.146 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1OC 409318303 USPRLGGZUZLTTO-VYYCAZPPSA-N 473.356 5.744 50 40 JKGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OCC 409320154 PJCSGWHUDUJWKC-CEUNXORHSA-N 474.557 5.392 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1OC 409321994 IFMCGUUJEAGVQT-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 409365206 QGSKISTYTCPKSQ-RPPGKUMJSA-N 492.200 6.407 50 40 JKGB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](Cl)[C@@]2(Cl)C1 627260052 JFNJWGVLTHTDCN-ILZOKFJHSA-N 499.607 8.618 50 40 JKGB COc1cc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c(C(C)=O)cc1OC 1772394 TXUDNQKMQWPMLB-RVDMUPIBSA-N 484.375 5.769 50 40 JKGB N#C/C(C(=O)NCc1ccccc1)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 1790408 KJQCBCHYCFPONY-YDYXIROLSA-N 473.985 5.083 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccco3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2357444 AIBNEBAQSQLTPF-JVWAILMASA-N 473.602 5.376 50 40 JKGB N#CC(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)/C(O)=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F 9057496 NEGUAUXZMADZDI-UKTHLTGXSA-N 472.335 5.977 50 40 JKGB N#C/C(=C\Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 9065232 KKOABPXPCDZFAF-NBVRZTHBSA-N 486.940 6.579 50 40 JKGB CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C2CCCCC2)cc1 16161356 LBWGEALRKFMRTR-WPWMEQJKSA-N 461.635 5.564 50 40 JKGB CO[C@@H](C(=O)N/N=C/c1c(Br)c(C)n(-c2ccccc2C)c1C)c1ccccc1 20243801 KPCIHRZMPGOQKI-FDCKDHBTSA-N 454.368 5.003 50 40 JKGB CC(C)(C)c1ccc(OCCOc2ccc(/C=C(/C#N)C(=O)Nc3nc4ccccc4s3)cc2)cc1 30761125 SKCREQGHVNZHHA-UZYVYHOESA-N 497.620 6.597 50 40 JKGB O=[S@](O)CCCCCSSCCCCSSCCCCC[S@](=O)O 31820042 SGBOHIVIUMZHQQ-UHFFFAOYSA-N 454.792 5.313 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OCc1ccccc1F 33568895 CWVZRDLPGHSFPL-ZDLGFXPLSA-N 492.348 6.425 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc2ccccc12 33615821 XXPNJDLXAZHZEH-QRVIBDJDSA-N 484.939 7.443 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(F)cc1 35396285 QGEVFRDNZLZFKP-NVMNQCDNSA-N 483.293 6.148 50 40 JKGB COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(/C=N/NC(=O)c2cccc(F)c2)c1 59417193 UWWKVKWWZVZYBX-KKMKTNMSSA-N 477.370 5.318 50 40 JKGB Cc1cc(OCc2ccc(C(=O)N/N=C3/CCCC[C@H]3C3CCCCC3)cc2)ccc1Cl 102931327 AGJITWOFSNTODI-OWGOKANHSA-N 453.026 7.084 50 40 JKGB CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)Cl)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@@]1(Cl)C(=O)OC(=O)[C@]31Cl 104116307 FDMRWYBACKCPHA-QSGUDKAXSA-N 487.851 5.615 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 207156848 BOYVFECPFXPBSQ-OJSPLJLUSA-N 451.353 6.357 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccccc1OCc1cccc(F)c1 408570806 YVLRCRASVCPFHE-JFLMPSFJSA-N 482.602 5.412 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 408579200 DPMSVPLVSHIEEC-XDHOZWIPSA-N 467.352 6.474 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl 408580686 QVYJAGMZGJIDAF-YBFXNURJSA-N 458.772 7.689 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 408580950 SONGAXBZCWUMGR-UDWIEESQSA-N 498.398 5.906 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1cccc2ccccc12 408678520 ZWGKNRBUXBEJGV-AJBULDERSA-N 479.580 5.792 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3)n2)c1O 408723999 BWZUJWQGQPXYKF-RDRPBHBLSA-N 462.509 5.171 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3cccs3)cc2-c2ccc(-c3ccccc3)cc2)c1 408727309 VSIQASVINPQHDZ-VUTHCHCSSA-N 462.578 6.340 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)c(Br)c1O 408735095 NUJDJMKLZGBRRF-BJMVGYQFSA-N 486.547 5.125 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1)Nc1ccc(Cl)c(Cl)c1 408762785 GGUCQYNSAWANPB-WKULSOCRSA-N 492.362 5.928 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)ccc1OCc1ccccc1 408772390 LHFFVFKCZOJQEW-MOHJPFBDSA-N 469.585 6.056 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 408808480 MFLUACJPMPXUCT-UTAIHPLHSA-N 480.439 6.907 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408880024 IHBADQONILTYIA-KGENOOAVSA-N 483.911 6.526 50 40 JKGB COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)ccc2OC)cc1 408884014 VOZMBHPWAWELGP-CJLVFECKSA-N 478.504 5.622 50 40 JKGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc(C(C)(C)C)c1O 408887723 SSGZKLJRDNUQIK-FMFFXOCNSA-N 480.652 7.377 50 40 JKGB O=C(N/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O)c1cccc(Br)c1 409080394 NNJWQLJNWCDUOS-WGARJPEWSA-N 453.380 5.386 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1ccccc1Cl 409092327 UKNSJNRUQHQRRR-RVDMUPIBSA-N 464.821 5.494 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(Cl)c1 409255953 MQRALZPNLLZVMT-WQRHYEAKSA-N 480.351 5.865 50 40 JKGB Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 409362643 SDIICHBSHHOJAP-WGARJPEWSA-N 471.782 5.683 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Br)c1OCc1cccc2ccccc12 409370622 BITCQPWWVVZALQ-FYJGNVAPSA-N 491.385 5.719 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(I)cc1 409372671 PBPQRUFGSUXQNB-UYRXBGFRSA-N 482.277 5.843 50 40 JKGB COC(=O)c1ccc(Cn2cc(/C=C(/C#N)c3cccc(C(F)(F)F)c3)c3ccccc32)o1 409390621 GGMLASGVXKROJH-BOPFTXTBSA-N 450.416 6.152 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc(Cl)cc4)c(OC)c3)[nH]c2c1 409390875 GCBDUISIJNUVPV-MFOYZWKCSA-N 480.351 6.530 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)c1cccc(F)c1 409394244 XOUFACVAWXTWPS-IUXPMGMMSA-N 477.160 7.538 50 40 JKGB Cc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(Br)cc2)N=C(O)[C@H]1C#N 2293855 YZGIBELLBWJFLI-FXAWDEMLSA-N 481.375 5.058 50 40 JKGB O=C(N/N=C/c1cccc(Cl)c1)c1cccc(NC(=O)c2ccccc2Br)c1 2752730 OQMZECWTEPKCIH-ZMOGYAJESA-N 456.727 5.119 50 40 JKGB CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OCc2cccc(OC)c2)cc1 3175262 YYEWMFZYKDACAP-CVKSISIWSA-N 483.362 5.199 50 40 JKGB CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C\c2cc(Br)c(Br)o2)cc1 12362699 QLEQWJISSOLVRA-ZYDKDYOYSA-N 468.189 5.356 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 13595548 WGXWEMVEGYLPKA-BRJLIKDPSA-N 451.242 5.421 50 40 JKGB COc1ccc(CCNC(=O)/C(C#N)=C/c2cccn2Cc2ccc(Cl)cc2Cl)cc1OC 20258993 HQCJIOZTCOHRFL-CPNJWEJPSA-N 484.383 5.126 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 33662758 JXHHWKGKYZGBLQ-KKMKTNMSSA-N 495.988 5.896 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 33688346 LFESXDAGERPXJD-PDGQHHTCSA-N 471.941 6.152 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1ccccc1F 33720692 LMZHSFMVTHJMHQ-CHHVJCJISA-N 467.154 8.082 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)cc1Cl 59334808 SQMAFFIXPKITTL-MFOYZWKCSA-N 494.216 6.059 50 40 JKGB CS(C)(=O)=N[P+](/C(=N/Nc1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 97968983 VWQCXDLNOQUJGT-ORIPQNMZSA-N 472.574 5.772 50 40 JKGB CCCCCCCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)F 103528587 NDIDPYZCJQDJHR-SFHVURJKSA-N 498.402 9.249 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)Sc1nc2ccccc2[nH]1 408598442 ALPSNBUWLWYCCD-YBFXNURJSA-N 475.404 7.529 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc3ccccc3c2)c1 408754349 QJFAJKQKSZQXCX-XQNSMLJCSA-N 468.534 5.462 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c(C)c1 408801166 RWXOPOWXMFQYKI-XQNSMLJCSA-N 466.968 7.235 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(Cl)c(Cl)c1 408804662 GICPIDAYBAUHLK-LICLKQGHSA-N 471.315 6.266 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1Br 408805762 LKIGYCDEEJLKFL-MDWZMJQESA-N 480.131 5.461 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccccc1Cl 408816737 UOGOLAGRVARNBC-HMAPJEAMSA-N 476.960 5.550 50 40 JKGB O=C(N/N=C/c1ccco1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 408839576 UMGGAGOGLSKURD-BHGWPJFGSA-N 458.326 5.817 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 408887133 MHPZAFRELWNSSI-CPNJWEJPSA-N 487.342 6.911 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1cccc(Cl)c1 408888816 BGTRRDOALCKPPI-UDWIEESQSA-N 476.916 5.562 50 40 JKGB COc1ccc2ccc(OC)c(/C=N/NC(=O)COc3cc(Cl)cc(Cl)c3Cl)c2c1 409020463 PPTIKPVKFNDFIG-KIBLKLHPSA-N 467.736 5.346 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(F)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 409040297 GFHZOPMEYPUMIM-LZYBPNLTSA-N 486.286 6.165 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1OCc1ccc(Cl)cc1 409086827 XCRVQCVPGFUHRE-AQTBWJFISA-N 453.325 6.127 50 40 JKGB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cn(C(C)C)c2ccccc12 409159097 UWZLYFKTYHODSQ-UAXWITGPSA-N 473.404 5.434 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1O[C@H](C)CC 409215951 GULMARNOYBCNLY-REMUQMNCSA-N 499.858 5.921 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1OC 409361444 HHQULGYHOFPWDX-RWPZCVJISA-N 461.949 5.053 50 40 JKGB Cc1ccc(C)c(CC(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c1 409362340 JBDQJLKBOKOMJW-OCSSWDANSA-N 456.973 6.382 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3c2cc(Cl)c2ccccc32)cc(Br)c1O 842725 OHGHVDCKTOIEGW-GOSISDBHSA-N 457.711 5.188 50 40 JKGB COc1ccccc1[P@](=O)(CC[P@](=O)(c1ccccc1)c1ccccc1OC)c1ccccc1 1580113 VQWBGASXMXZTEZ-HEVIKAOCSA-N 490.476 5.032 50 40 JKGB N#CC1=C(N)OC2=C(CCC/C2=C\c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1 2111195 JBVAZYLNOKGSLO-AUFJSOOLSA-N 498.218 6.541 50 40 JKGB COC(=O)[C@H]1C(O)=NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@H]1c1ccccc1Cl 2310034 SFCFUTRSZUZGKJ-NHCUHLMSSA-N 498.004 5.215 50 40 JKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)cc1 10059558 LGYFUTWIHSLIMM-DSWROXKMSA-N 494.975 5.610 50 40 JKGB CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C(\C)c3ccc4ccccc4c3)cc2)cc1 12562633 QCNQLPHHFUSMQS-TURZUDJPSA-N 487.581 5.193 50 40 JKGB CCCOc1ccc(Br)cc1/C=C(\C#N)S(=O)(=O)c1ccc(Br)cc1 13147882 WZHZCONSHIOFTA-GZTJUZNOSA-N 485.197 5.339 50 40 JKGB COc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccc(Cl)cc1 33396913 CSSCOFMKZMYWPO-YVLHZVERSA-N 472.741 6.893 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(NC(=O)C(C)C)cc2)ccc1OC(=O)/C=C/c1ccccc1 33720701 MSGGVFYKYQARIE-YEIWEXPWSA-N 499.567 5.063 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccccc1Br 58914584 AGYIAYXZQXRPFH-RMORIDSASA-N 481.133 5.105 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Br)cc1 59116713 ZYDSYCOKLMOJOQ-ZHZULCJRSA-N 477.358 5.972 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 59335739 MWZINXIHPRMWSI-JLPGSUDCSA-N 497.551 6.155 50 40 JKGB N#C/C(=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl 59336638 NLIAXSKJTUOXHI-LGMDPLHJSA-N 489.362 6.132 50 40 JKGB CCOC(=O)c1c(/N=C/c2cc([N+](=O)[O-])ccc2OC(=O)c2ccccc2)sc2c1CCCC2 100210249 BANSFMZXNXQVER-CVKSISIWSA-N 478.526 5.682 50 40 JKGB Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)C2=C(O)CCCC2=N1 104132310 USZNLRJSWXLRJO-QFIPXVFZSA-N 498.435 6.943 50 40 JKGB CCN1c2cc(C)c(/C=N/NC(=O)COc3ccc(Br)cc3)cc2[C@H](C)CC1(C)C 208322505 YMKOOVZKHGICFO-OXVLKEGXSA-N 472.427 5.399 50 40 JKGB N#C/C(=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12)c1ccc(C(=O)O)cc1 408542423 JJDWHHFWGRUNRU-UYRXBGFRSA-N 455.901 5.696 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCC(=O)Nc1ccc(C)cc1 408566934 BPEQFZLBEFAIDU-WQRHYEAKSA-N 456.477 5.101 50 40 JKGB COc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OCc1ccccc1 408570147 RZMDRERYUZBQQD-JVWAILMASA-N 494.638 5.282 50 40 JKGB COc1ccc(/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1OC 408581537 ITWNGWKVRAHYOK-LICLKQGHSA-N 477.429 5.385 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(F)cc1 408735614 UZXOGRGJYZMJEE-UDWIEESQSA-N 464.924 6.311 50 40 JKGB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1C 408747652 RAXXLFGTTSCGMM-PDGQHHTCSA-N 478.346 5.409 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c1C 408792032 GTYBRQIGXQWMQJ-VXLYETTFSA-N 485.798 7.388 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 408802310 YYHWCLNKIWGHFI-MNOULKQQSA-N 495.406 6.755 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Br)c1)C(=O)Nc1ccccc1F 408817538 WCVGDFUMPXDGSI-YVLHZVERSA-N 485.740 6.366 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(C)c1OCc1ccc(Br)cc1 408850943 GVZZVSNHVPSJAD-LGJNPRDNSA-N 455.327 5.548 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)c(Cl)c3)c(C)c2)cc1C 408854360 DEGTXLUBIFEFLP-WSDLNYQXSA-N 479.407 7.352 50 40 JKGB Cc1ccc(-c2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)o2)cc1[N+](=O)[O-] 408856576 KRHZJBHAGSMUQN-KSEXSDGBSA-N 468.263 5.436 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1cccc(F)c1 408890017 MPIPGNSHSFDVCM-RQZCQDPDSA-N 499.311 5.861 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccc(C(=O)O)cc1 408901084 ZYLOEFYMATVXGT-WOJGMQOQSA-N 467.308 5.816 50 40 JKGB CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc(Br)ccc1OC 409016423 CLQUDBVWAICKPU-MFKUBSTISA-N 455.352 5.554 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OS(=O)(=O)c1ccccc1 409065520 JCDFBYVFGOXQFZ-NBVRZTHBSA-N 482.945 5.052 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1 409078971 JUCLJOYQUUSXAJ-RIYZIHGNSA-N 499.266 6.148 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc(Br)c1OCc1ccc(F)cc1 409139152 AKJLEFCEBLTSAX-JOCHJYFZSA-N 497.320 5.100 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2Cl)o1 409168064 LBESIVCUUMGUAB-QESWDSMOSA-N 496.951 5.111 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(C)c1 409259463 ZKZYGIJUURFAEB-FDVSRXAVSA-N 493.991 5.445 50 40 JKGB N#C/C(=C/c1ccccc1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1 409269071 DOAJVPHKLUHETK-ATVHPVEESA-N 466.324 5.557 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)c1C 409269072 DONXRMLCEOTPQW-UNOMPAQXSA-N 494.378 6.173 50 40 JKGB COc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)ccc1OCc1ccccc1 409319517 HNHZIZCGRMVFMV-FSGOGVSDSA-N 466.537 5.617 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 409364749 PDEMQERAGMMTMG-LQKURTRISA-N 473.370 6.254 50 40 JKGB COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C#N)[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 707864 BULQSZFUUNIHEJ-HLADLETHSA-N 476.576 6.159 50 40 JKGB COc1ccc(C2=CCN(c3ccc(C)cc3)[P@@](=O)(N(CCCl)CCCl)O2)cc1 1579927 OARGNGAFOUYKAW-GDLZYMKVSA-N 455.322 5.769 50 40 JKGB O=C(Nc1c(Br)cc2c(c1Br)Cc1cc([N+](=O)[O-])ccc1-2)C(Cl)Cl 1699680 PHCNTEVXRPWJPQ-UHFFFAOYSA-N 494.954 5.433 50 40 JKGB N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 2331768 AGBKLOMCVXYZCC-QFIPXVFZSA-N 456.885 5.244 50 40 JKGB O=C(O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](c1ccccc1)N2 6474033 GEQGUCRYYIPLPX-DQXGGZLGSA-N 480.973 6.332 50 40 JKGB CCCCOc1cccc(N/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 9353400 LXOWCNLLKCYPIH-LYBHJNIJSA-N 451.595 7.633 50 40 JKGB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 13146326 WSKVGCQXDFFERF-UXHLAJHPSA-N 484.579 5.091 50 40 JKGB Cc1ccccc1C[C@@H](C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1 16157917 PYYRACMBLZPVJL-HGFFDCOOSA-N 487.397 6.494 50 40 JKGB COc1ccc(C(=O)Nc2cccc(/C(C)=N/NC(=O)CSCc3ccc(C)cc3)c2)cc1 20367398 XCGDQTIEJSVHKO-TURZUDJPSA-N 461.587 5.030 50 40 JKGB CC/C(=N/NC(=O)c1cc(-c2ccc(CC)cc2)nc2c(Cl)cccc12)c1ccc([C@@H](C)CC)cc1 22818528 DXZVDMLQONXKDZ-BIYZXWMOSA-N 498.070 8.175 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1c(OCc2ccc(C)cc2)ccc2ccccc12 33541129 ZYGDMDUOIAWUGM-BIZUNTBRSA-N 474.560 6.653 50 40 JKGB CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 33653388 PSIIAIOQTMRWQS-LGJNPRDNSA-N 456.329 5.295 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1cccc(Cl)c1Cl 34719778 GJDSJEALWFQYEI-OPEKNORGSA-N 487.368 6.288 50 40 JKGB O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](c1ccccc1)N2 101138122 GEQGUCRYYIPLPX-ASDZUOGYSA-N 480.973 6.332 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(I)c1OC 408550134 DYJYGGXZWHACHX-GRSHGNNSSA-N 455.295 5.916 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)c1nc2ccc(F)cc2[nH]1 408568985 LSHDIFMXQXTCNZ-JMIUGGIZSA-N 488.349 7.805 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccc(Cl)cc1 408581277 VUFPDGVEVFVAAS-RGVLZGJSSA-N 484.379 7.052 50 40 JKGB N#C/C(=C\c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)C(=O)NCc1ccccc1 408757381 ZDQIFZLHCUPODQ-NCELDCMTSA-N 482.539 6.436 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)cc1OCC#N 408789642 QNVXPVMRQOVQCI-WUXMJOGZSA-N 481.133 5.213 50 40 JKGB CC(=O)Nc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)cc1 408853291 NCIZEIHZTPGSQK-ZMFRSBBQSA-N 493.361 5.325 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(Br)c2)cc1Cl 408874439 BKLGIMRDUQGSRR-VXLYETTFSA-N 483.768 6.687 50 40 JKGB COC(=O)c1ccc(C)c(-c2ccc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)o2)c1 408904652 MRSYBKYSCCTGIL-MSXFZWOLSA-N 470.323 5.268 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4cc(Cl)ccc4OC)c3C)cc2c1 409186763 HOXBRCQHHQXEKN-VYYCAZPPSA-N 465.937 5.665 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 409252718 VATJCYFFFZXRCM-UYRXBGFRSA-N 475.932 5.220 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2)cc1C 409268727 YFVAMZNTBVYWOM-ZHZULCJRSA-N 459.933 5.520 50 40 JKGB COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1OC 409305738 XECTUCFUDBVTMB-WKIKZPBSSA-N 489.355 5.362 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Sc3ccc(C)cc3)o2)c1 1095446 IZNJEJRKMHJQRG-GDNBJRDFSA-N 469.360 6.056 50 40 JKGB CC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1Cl 1097695 ZVZYYYSVGCTBBI-DEOSSOPVSA-N 466.006 5.614 50 40 JKGB CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1I 3255385 HAKWVXIVVPRJKP-OBGWFSINSA-N 474.342 5.796 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)c(C)c1 4047954 TXZRHLISJCCKHF-NDZAJKAJSA-N 451.570 5.097 50 40 JKGB O=[N+]([O-])c1ccccc1S[C@H]1C[C@H]2[C@H](c3ccc(F)cc3)Nc3c(F)cccc3[C@@H]2[C@@H]1Cl 8771191 VMVWNRGZUWPWQV-XVAAYUMESA-N 472.944 6.912 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(O)(c1ccccc1)c1ccccc1 9261847 QKGVPXQHRRBXRX-BIZUNTBRSA-N 477.539 5.215 50 40 JKGB Cc1cc(/C=N/NC(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1-c1ccc(Br)cc1 12524254 RWZVGKMQSIBHHY-VULFUBBASA-N 454.412 5.523 50 40 JKGB C/C(=N\NC(=O)c1ccc(N/N=C(\C)c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1 12564989 BZNINBMFAOBGFK-NXQGAYFCSA-N 470.576 6.983 50 40 JKGB C/C(=N\NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1ccc2c(c1)Nc1ccccc1S2 13133978 IBOVHLZNMUMLHE-AMVVHIIESA-N 481.503 5.804 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(Cl)c(Cl)c1 17143808 QDJMUJPNCUXYNH-HSZRJFAPSA-N 499.394 6.032 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1 19939852 PXXDJCVSSZSNSE-HHHXNRCGSA-N 494.620 5.702 50 40 JKGB Cc1c(/C=N/NC(=O)c2cc(C)n(-c3ccccc3)c2C)c2ccccn2c1C(=O)c1ccc(F)cc1 25389998 UOYKCKSNKFWQKP-KCSSXMTESA-N 492.554 5.789 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)ccc1O 27023446 VRIBWCGKJPZRPA-LFIBNONCSA-N 493.997 6.556 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 33670946 SZHWZCODSIATNU-YKQZZPSBSA-N 471.988 6.019 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccccc1F 59245230 VKDHOXRPINKNRL-LICLKQGHSA-N 481.867 5.521 50 40 JKGB CN1N=C([PH](c2ccccc2)(c2ccccc2)c2ccccc2)CC1(c1ccccc1)c1ccccc1 104126589 KNSINTAUSXKZFJ-UHFFFAOYSA-N 498.610 6.306 50 40 JKGB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)C(Cl)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 118924986 IAZKUQHFBGEWGA-FVLYTVTASA-N 497.591 8.743 50 40 JKGB CCN1c2ccc(/C=N\NC(=O)COc3cccc(Br)c3)cc2[C@@H](C)CC1(C)C 223530615 ZXUAOOYUKSBKQO-FTWDSPQQSA-N 458.400 5.090 50 40 JKGB CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)cc1 252510948 ZSHSFNFCRLQPJM-GZTJUZNOSA-N 492.419 7.653 50 40 JKGB CC[C@H](C)N[P@@](=O)(NC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C)N[C@H](C)CC 263621431 MPCIYRGRNDHEQH-UNOUZURISA-N 483.391 5.471 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OC 408539951 KWDMTTSOUQSQEB-BOPFTXTBSA-N 491.813 6.616 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1 408800451 MIXWXABCVKOMKM-ONNFQVAWSA-N 486.547 5.125 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(F)cc1 408816413 JQMTYUFTBVJAIA-YVLHZVERSA-N 499.311 5.861 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccc(C(F)(F)F)cc1 408843085 DDHFHSAMSMYBIQ-LCYFTJDESA-N 484.724 7.930 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccccc2)c(I)c1)c1cc2ccccc2o1 408855112 CBRVUARPNUXMLZ-QFEZKATASA-N 496.304 5.380 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(C)c1OCc1ccc(Br)cc1 408855124 CGUWPIPYPRYWNC-UDWIEESQSA-N 495.804 6.844 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2Cl)c1C 408865426 CKDIGRJDXJZZQV-FYJGNVAPSA-N 479.805 6.856 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1Cc1cccc(F)c1 408866640 HOJAIDHXCNARKP-KEBDBYFISA-N 493.376 6.350 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1Cc1ccccc1F 408874933 GJAPZHLWVDBLPS-RQZCQDPDSA-N 465.868 5.532 50 40 JKGB CCCCc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)c2C)cc1 408905382 YDQHOHZGZNURNF-YUMHPJSZSA-N 481.438 6.663 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2Cl)cc1 408967632 WGHKRHGWVRNLLO-KKMKTNMSSA-N 498.322 6.299 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12)C(=O)NCc1ccccc1 409059184 UXEQHHCQHWNRLE-YDZHTSKRSA-N 487.386 6.949 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)ccc1OCc1cccc2ccccc12 409238495 DRNXYPVJJWTFNI-MWLSYYOVSA-N 491.360 6.013 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2)c1 409254127 DCHLAJXCCHWQCA-HAHDFKILSA-N 453.542 5.483 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c2)cc1Cl 409265375 UNBAZEYMLQAXQU-ZDLGFXPLSA-N 480.351 5.865 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)ccc1OC 409316400 YSCBFMAIOMPLSK-NTFVMDSBSA-N 482.964 5.489 50 40 JKGB COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1OC 409336916 VNCWURGNSNYTOV-WKIKZPBSSA-N 489.355 5.362 50 40 JKGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OCc1ccc(Br)cc1 948064 OKRIFDMPOPMCSE-FYJGNVAPSA-N 484.371 5.375 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 1790086 UDQFAGAQGXCZDF-YMGIJWJESA-N 475.520 5.338 50 40 JKGB N#C/C(=C\Nc1ccc(I)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 1791619 PJQOBVFYPANOGR-JLHYYAGUSA-N 474.283 5.299 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@H](NC1CCCCC1)c1cc(Br)ccc1O 2577834 ZNQKSVVAZRNXSB-VWLOTQADSA-N 484.374 6.090 50 40 JKGB Cc1ccccc1-n1c(SCC(=O)N/N=C/c2cccc3ccccc23)nc2ccccc2c1=O 2705690 GDAARULKOULYTI-STBIYBPSSA-N 478.577 5.090 50 40 JKGB N#C/C(=C\c1cc2ccccc2nc1Cl)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 8400493 ZEIDMYDYEVOQPX-LZYBPNLTSA-N 486.896 6.090 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC(=O)c3cccc4ccccc34)c2)c(C)c1 8722413 BOSMHVNFIXKILJ-CJLVFECKSA-N 462.505 5.922 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2/C(=N/OCc2ccc(Cl)cc2)CCC3)cc1 8762251 VOTPAMKVXQWIHY-CQCAPLITSA-N 485.971 6.667 50 40 JKGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 9614404 UKTRQDVBJIIRGC-STBIYBPSSA-N 452.510 5.205 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccc(F)cc1 12467887 NJRSNKZFOFOXKC-OGLMXYFKSA-N 493.995 5.668 50 40 JKGB N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 13174070 FCIBAFDQBKGMBN-QFIPXVFZSA-N 484.408 5.794 50 40 JKGB Cc1cc(/C=N/NC(=O)CSCc2ccccc2Br)c(C)n1-c1ccccc1 15223458 QPGVVPFSWZZMAO-ZMOGYAJESA-N 456.409 5.240 50 40 JKGB N#CC1=C(N)OC(C(Cl)(Cl)Cl)=C(c2nc3ccccc3o2)[C@H]1c1ccc([N+](=O)[O-])cc1 16545265 BUHHUQZXEXOJBG-HNNXBMFYSA-N 477.691 5.325 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(C(F)(F)F)c3)o2)cc1 33761072 SYPWUCHJRHNFJZ-MNDYBZJGSA-N 481.474 6.049 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1OCc1cccc(Cl)c1 34834899 GYVZRVLCCNTQBT-BOPFTXTBSA-N 498.322 6.035 50 40 JKGB Cc1c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc2n1Cc1ccccc1 34869613 YBIIXNKGWHDYFH-JFLMPSFJSA-N 468.538 5.885 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1OCc1ccccc1Cl 59254497 ZIYZJVTXIBRJTF-LDADJPATSA-N 463.877 5.381 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)NCc1ccccc1 59306274 GOWJGOFAKYAPEV-JAIQZWGSSA-N 465.322 5.391 50 40 JKGB COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)C3=C(O)CCCC3=N2)c1 104122329 SRPCQYFMRWPRAC-QHCPKHFHSA-N 463.534 5.476 50 40 JKGB COc1cc(COc2ccccc2/C=N\NC(=O)c2ccc(C)cc2)ccc1OCc1ccccc1 408541140 XZUNFSVWINFQMA-DXJNIWACSA-N 480.564 5.926 50 40 JKGB O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc2ccccc2c1 408599674 YHXMCYDFYOEMDK-FDAWAROLSA-N 464.952 6.989 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1 408747565 PREAXRZFNODFRI-XYGWBWBKSA-N 486.999 6.270 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 408787889 HIFWDRSGWXKIDZ-GIJQJNRQSA-N 471.771 7.080 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408788346 CHZIDBUOSSXOTA-LTGZKZEYSA-N 465.465 5.979 50 40 JKGB Cc1ccc2ccccc2c1COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 408802315 YYQXPGINELJPRP-FYJGNVAPSA-N 497.938 6.835 50 40 JKGB Cc1ccc(COc2ccc(NC(=O)/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)cc2)cc1 408822569 BFAVLXJKZNJTFL-ZXVVBBHZSA-N 474.560 6.699 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1ccc2c(c1)OCO2)c1cc2cc(Br)ccc2o1 408855067 DBGIAPYKNALAHK-ZRGSRPPYSA-N 493.313 5.267 50 40 JKGB N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)NCCc1c[nH]c2ccccc12 408857751 WJXPHSUNYPZPNA-FOWTUZBSSA-N 450.325 6.001 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1Cc1ccccc1F 408873272 RZRNUMFLYAJHAF-CIAFOILYSA-N 462.952 6.631 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2ccc(C(C)C)cc2)cc1 408876161 JPGGSJGDGPGSQZ-UHFFFAOYSA-N 455.624 5.140 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1C(=O)O 408880327 HIFOCCDVRNJGSR-LICLKQGHSA-N 467.308 5.816 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCC(=O)Nc1ccccc1OC 409009511 APSANGOLXJTUSN-UXHLAJHPSA-N 497.551 5.029 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCC(=O)Nc1ccc(C)cc1 409011394 HOTRHCPRINWOKP-UXHLAJHPSA-N 481.552 5.328 50 40 JKGB C=CCc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(OC)c1OCc1cccc(C)c1 409022749 RRBZUMTZTWAISA-CAQPMQTCSA-N 495.579 5.388 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)c1nc2ccccc2o1 409045724 HJYQTIISILSLAE-VIZOYTHASA-N 490.173 8.085 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Cl)c1OS(=O)(=O)c1ccccc1 409064157 CAQKALMWIARMCJ-LFIBNONCSA-N 466.902 5.322 50 40 JKGB CCOC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1Sc1nnc(-c2cccc(Cl)c2)n1CC 409189986 PCLJIHGZLYXNRP-MHWRWJLKSA-N 483.937 5.148 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1C 409211550 OFNARIRLWXQLQN-BRJLIKDPSA-N 462.402 5.652 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)o1 409369416 NBOSJMXXGABHJB-VULFUBBASA-N 463.331 5.847 50 40 JKGB N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 939465 WUZMGEMVUPBPTL-OQLLNIDSSA-N 458.768 5.695 50 40 JKGB ClCCN(CCCl)c1ccc([C@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 1722203 MDMIUDPJRKMOFJ-NSOVKSMOSA-N 477.435 6.894 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 2162161 RXYZQWIQMAPVPX-MZJWZYIUSA-N 475.540 5.445 50 40 JKGB Cc1cc(C)cc(N/C(SCc2cccc(Cl)c2)=C(/C#N)S(=O)(=O)c2ccccc2)c1 2689734 OHHPIBBQNKVGHI-WCWDXBQESA-N 469.031 6.469 50 40 JKGB Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NNC(=O)CSc3ccccc3C)cc2)c1 3333394 KDPPNHGZTRVCBK-UHFFFAOYSA-N 462.615 5.559 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2ccc(F)cc2)c(Cl)c1)OCO3 3628372 CPJHESIPDAKYBV-HSZRJFAPSA-N 450.853 5.005 50 40 JKGB N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(Br)cc1 9204809 XLLRBEYGUYVZDZ-OCSSWDANSA-N 498.380 5.746 50 40 JKGB Cc1cc(Br)ccc1N/C=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 9445810 OXKFAQKOJOYMIH-UKTHLTGXSA-N 465.203 7.164 50 40 JKGB CCOc1cc(/C=N/NC(=O)OC)cc(Br)c1OCc1c(Cl)cccc1Cl 13895836 RPYKTLICUBLKLK-LSFURLLWSA-N 476.154 5.424 50 40 JKGB Cc1c(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc2n1Cc1ccccc1C#N 16249812 KUDWZXFZUXJINW-DPNNOFEESA-N 482.543 6.533 50 40 JKGB CCCCSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2OC)=C(C)N1 20171585 LKQUGAOXIMNKFW-QHCPKHFHSA-N 468.022 6.217 50 40 JKGB Cc1ccccc1CSCC(=O)N/N=C/c1c(Br)c(C)n(-c2c(C)cccc2C)c1C 20243622 QMZAYCPAKNBSOB-UVHMKAGCSA-N 498.490 6.165 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)cc1 33685336 MQBNDSJSHURKOJ-NVMNQCDNSA-N 455.297 6.553 50 40 JKGB COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)c1C 33718708 VYYIJLLIPFYZLG-LGJNPRDNSA-N 490.541 5.076 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(F)cc1 59117508 YMGJNTGESQZJGX-LICLKQGHSA-N 471.315 6.266 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1 59536446 BFPNSQWMXNOSNN-CPNJWEJPSA-N 466.946 5.270 50 40 JKGB CCn1c(C)c(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c2ccccc21 108975422 GUDMORHPIBKEBJ-MNBJERMJSA-N 494.595 6.313 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)c2ccc(Br)cc2)cc1 408580259 NPJBIAXUZYHXAW-LDADJPATSA-N 488.790 6.243 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)c1 408745253 KVIYJWFVRLFKAZ-MYYYXRDXSA-N 478.548 6.372 50 40 JKGB C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 408769435 UXFUVHVLGRDRGT-YZSQISJMSA-N 490.412 5.038 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccccc1C#N 408793790 GNDGDSNSVIXAOM-VXLYETTFSA-N 478.335 5.998 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 408794169 IAEBCGOUKLNMLF-XSFVSMFZSA-N 495.362 6.295 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccc(Br)cc1 408811025 QJZAQJBXKCEDES-OVBDPADQSA-N 491.385 5.821 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1F)C(=O)Nc1ccc(Cl)cc1 408873896 WVKGINFWOAZOBG-LDADJPATSA-N 469.741 6.378 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1Cc1ccccc1F 408876936 RVNKBVOVMHJBSA-RGVLZGJSSA-N 493.376 6.350 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1cccc(I)c1 408890792 ZITSQEMKYWUASH-ZMOGYAJESA-N 490.728 5.288 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1cccc(Br)c1 408891129 LYWDWAFWGCIUPJ-BRJLIKDPSA-N 478.173 6.099 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)c2)cc1 408891493 RJLUKMQCEDHPDC-SFQUDFHCSA-N 487.364 5.615 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408894045 ILYNUIGNYPCDMB-WOJGMQOQSA-N 471.771 7.080 50 40 JKGB Cc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 408894502 IKAKRZOOLDPZFE-LICLKQGHSA-N 496.306 5.975 50 40 JKGB COc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1 408953376 WCOXZVINCFBLNE-PKAZHMFMSA-N 454.486 5.133 50 40 JKGB CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3o2)c1C 408959586 BLPLSPKRRLSAMY-MZJWZYIUSA-N 474.517 5.392 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)c1 409044904 FEOXSZAVSUZLBI-VCHYOVAHSA-N 482.323 6.335 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1cccc(Cl)c1 409097301 NIIXZTIHXKPYRX-VWLOTQADSA-N 476.916 5.265 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)c(C)c1 409268916 ZQBBBZQOAPWDEP-XDHOZWIPSA-N 477.923 5.659 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1OCC 409313878 RDAXOCNDRWUNEH-RHANQZHGSA-N 496.991 5.879 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)ccc1OC 409320256 ABDSDBJLUMJJOL-YKQZZPSBSA-N 484.552 5.599 50 40 JKGB C=C(Nc1ccccc1N)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 409335188 OLHUOMDVIRBUOO-XDHOZWIPSA-N 459.380 7.111 50 40 JKGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1Cl 409378979 TVUCNFISDPEEOS-MOSHPQCFSA-N 489.959 5.529 50 40 JKGB Cn1cc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)c2ccccc21 1454149 ODIOMDUTOZAYCH-OVCLIPMQSA-N 467.381 6.078 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1cc(C2CC2)nc2ccccc12 1868027 GVINRULFRBXEHC-MUFRIFMGSA-N 455.945 6.109 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 2077334 QBOFZQWMBRSXKK-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB N#C/C(C(=O)Nc1ccccc1F)=C1/S[C@H](Cc2ccc(F)cc2)C(=O)N1c1ccccc1 2338066 PTMOFHADHKTRBU-UTDQILSNSA-N 461.493 5.030 50 40 JKGB N#C/C(=C/c1ccc2noc(-c3ccccc3)c2c1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 2708500 LLRPEIAQJXYURD-ATVHPVEESA-N 468.538 5.080 50 40 JKGB CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1 3142926 SRECIUANOZRPPU-SANMLTNESA-N 492.579 5.317 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)ccc1O 8387317 SMQDLLQBBUCTRA-LICLKQGHSA-N 452.491 5.848 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c(Cl)c1 10060127 KGTFOXWLYVGEAF-FSJBWODESA-N 454.826 5.021 50 40 JKGB N#C/C(C(=O)Nc1ccc(Cl)cc1)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 13598765 RXJIQXNHXXVKOX-CKVBZJJFSA-N 459.958 5.405 50 40 JKGB Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c1C 13776252 BVXQEEBQTUFLOG-XSFVSMFZSA-N 491.956 5.095 50 40 JKGB COc1ccc(N2C(S)=C(C#N)C(=N)N[C@@H]2c2ccc(-c3ccc(Br)cc3)o2)cc1 16739435 PMNCZWLCWYYEKE-NRFANRHFSA-N 481.375 5.468 50 40 JKGB COc1ccc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3ccccc3)c2C)cc1 20243634 QQKYQTLXEIURLF-DHRITJCHSA-N 486.435 5.249 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)cc1 20764782 TZCGBQPRUCASPF-JVWAILMASA-N 452.938 5.480 50 40 JKGB C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1C 27018839 QXLUPNPHLLDGCY-XLNRJJMWSA-N 474.589 7.086 50 40 JKGB Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 28216235 OZXJJWVDTFPEOC-OPEKNORGSA-N 466.821 6.297 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc(Br)c1OC 28217864 LZUVNZNMNSXZHT-AFUMVMLFSA-N 485.403 5.523 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccc(F)cc1 30937348 FKDDLJKUGYTEBJ-OCSSWDANSA-N 492.547 5.270 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl)Nc1ccccc1F 33786590 GNIJVFIAQFIPJK-LUOAPIJWSA-N 494.737 5.567 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccccc1Cl 40007588 HQHCXPYXBTVKJS-SYVPYPDPSA-N 460.961 6.102 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1cccc(Cl)c1 59117116 SLSOZLPVDGEEFZ-LICLKQGHSA-N 457.744 6.771 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 109032883 ADTYLOJLLSNFQW-CCVNUDIWSA-N 471.384 5.891 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Br)c1O[C@@H](C)CC 408570314 UAHYNFNLWHMLCQ-PBTLCFMXSA-N 458.331 6.105 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1 408579413 HCAVEKMWCYOASR-WOJGMQOQSA-N 458.772 7.689 50 40 JKGB CCc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4c(Cl)cccc4Cl)cc3)CC2=O)cc1 408604246 HWCSZULIBNCZAU-GOSISDBHSA-N 498.410 5.631 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCc1cccc(C)c1 408743250 FIQUPSZMVUWGJN-MTJSOVHGSA-N 491.385 6.199 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 408743864 HTDLPDLSEQJHCB-PDGQHHTCSA-N 454.357 6.345 50 40 JKGB Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c3ccccc32)cc1 408764366 TXWFGMKVPCZYKS-MOSHPQCFSA-N 470.370 6.306 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 408817607 YAPPZXGAEAAIOW-UUYOSTAYSA-N 476.960 5.468 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 408864979 AYFQZRHRZCOCFE-DFKUXCBWSA-N 469.629 5.694 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1cccc(Cl)c1 408887632 PXDBNQJNVDTSIA-VXLYETTFSA-N 477.904 5.690 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1cccc2ccccc12 408956464 XCGYBFAYLGMQBZ-UQQQWYQISA-N 458.565 5.995 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c(F)c1 408966966 OJBVPMUUKPFTEN-LUOAPIJWSA-N 487.274 5.255 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc([N+](=O)[O-])c(Cl)c3)c2C)cc1Cl 408981937 FCCCOJZMVLHHDJ-MFOYZWKCSA-N 469.328 6.163 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OCC)c1OCc1cccc(F)c1 409069651 MFUKURZWFQGGPH-BUVRLJJBSA-N 470.544 6.386 50 40 JKGB C/C(=N\NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(NC(=O)c2ccccc2)cc1 409115153 ITGQOWHPLZYBNV-LQKURTRISA-N 486.424 6.019 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1Cl 409136533 VABGHWUCTCCPPS-HSZRJFAPSA-N 485.367 5.786 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1 409272640 RELRSZSPVZPBER-MOSHPQCFSA-N 489.959 5.529 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2cccc(OCc3cccc(F)c3)c2)ccc1OCc1ccccc1 409315330 IWOFCWCWPWFBJV-MZFJOGFUSA-N 498.554 6.146 50 40 JKGB C=C(Nc1cc(C)ccc1N)/C(C#N)=C/c1ccc(OC(=O)c2cc(F)c(F)cc2Cl)c(OC)c1 409333396 JDUNKZMGZFEYDQ-RQZCQDPDSA-N 495.913 6.269 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc2c(c1)OCO2 409366748 XXYGFOPQKKKBNV-NVMNQCDNSA-N 479.286 5.729 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409394236 XLIORBJJTBBHBV-IDUWFGFVSA-N 462.735 7.438 50 40 JKGB Cc1ccccc1[C@@H](c1ccccc1P(c1ccccc1)c1ccccc1)N(C)[S@](=O)C(C)(C)C 1857795059 JMVREUXNMBRSOD-LWQYYNMXSA-N 499.660 6.237 50 40 JKGB CNC(=O)/C(C#N)=C1\SC=C(c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)N1c1ccccc1 1454238 PVYBCCOMKUVJRQ-QJOMJCCJSA-N 478.917 5.541 50 40 JKGB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C(C#N)=C/c1ccccc1Cl 1901829 AWMKCVFASAZEGK-LFIBNONCSA-N 471.365 6.444 50 40 JKGB Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)NCCc3c[nH]c4ccccc34)c3ccccc32)c1 2306508 VOVHSJQDNZOANS-LFVJCYFKSA-N 458.565 5.745 50 40 JKGB O=C(NNC(=O)c1ccc(CSc2nc3ccccc3o2)cc1)Nc1cccc(Cl)c1 3237228 URWUUWNJEKACQN-UHFFFAOYSA-N 452.923 5.240 50 40 JKGB COc1ccc2cc(/C=N/NC(=O)CSCc3ccccc3Br)c(Cl)nc2c1 8843124 SKZLDLAGUGSTGS-AUEPDCJTSA-N 478.799 5.043 50 40 JKGB COc1ccc(/C=N/NC(=O)c2cc(-c3cccc(OCc4ccccc4Cl)c3)[nH]n2)cc1OC 9089341 HWHOOGSFMQLNQK-RWPZCVJISA-N 490.947 5.090 50 40 JKGB CCc1ccccc1NC(=O)CSC1=C(C#N)C2(CCC(C(C)(C)C)CC2)[C@@H](C#N)C(=O)N1 9108934 JTSOLGPONJXZPA-XWJIAHPJSA-N 464.635 5.148 50 40 JKGB O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 9311147 RAOXVFUUBAHGAF-NJZRLIGZSA-N 486.531 6.483 50 40 JKGB COC(=O)c1cc(N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)cc(C(=O)OC)c1 9638636 FZSSHANPCZRAHJ-WJDWOHSUSA-N 498.358 5.122 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSC3c4ccccc4-c4ccccc43)c2C)cc1 28217158 KZGPYTMUBVIAQM-OCSSWDANSA-N 465.622 6.356 50 40 JKGB Cc1coc2cc3o/c(=N/NC(=O)Nc4cccc5ccccc45)cc(-c4ccccc4)c3cc12 30822718 BKUBDJDTAHPKTJ-CCFHIKDMSA-N 459.505 6.945 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1OC(=O)c1ccccc1 30937426 RBUYYIIDFAJJBQ-RWPZCVJISA-N 480.948 5.104 50 40 JKGB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](Br)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 34363804 KBSDBYDTKXUZDW-NQGWCVFGSA-N 493.614 8.686 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCc1ccc(Br)cc1 59117660 UZVWYWBTGKPFCI-DEDYPNTBSA-N 477.358 5.891 50 40 JKGB Cc1ccc(/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 209404116 XXGVTPXTXURTDC-BUVRLJJBSA-N 454.367 7.554 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)c1ccc(Cl)cc1Cl 408580715 RECRNRRUXCHFSS-RQZCQDPDSA-N 458.728 6.988 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)ccc1OCc1ccc([N+](=O)[O-])cc1 408783562 ORSKOIFQYJJPMX-MUXKCCDJSA-N 487.434 5.355 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)ccc1OCc1cccc(C)c1 408785902 JLSQFIRKBHRDFJ-UCQKPKSFSA-N 456.542 5.916 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408798197 VBHHXWISVNSRLR-UDWIEESQSA-N 481.379 6.689 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1 408798531 FXCGLUIYEPUAES-CJLVFECKSA-N 452.941 6.926 50 40 JKGB CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1 408830202 OOXXGSBZNSYGCE-HAVVHWLPSA-N 496.994 7.405 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Cc1cccc(F)c1)C(=O)Nc1ccc(F)cc1 408869286 QMRCCUBXMGJQSO-LDADJPATSA-N 453.286 5.864 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1Cc1ccccc1F 408870397 VEHYXXHPWQSDLW-LICLKQGHSA-N 499.767 6.387 50 40 JKGB Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1 408880354 HLWMEUVFLBSQJF-UDWIEESQSA-N 495.804 6.844 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1c(Cl)cccc1Cl 408889530 DSXAMLBCIAXYLT-GZTJUZNOSA-N 497.334 5.825 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2)cc1 408896501 RMBXWXRYNFGJGO-UDWIEESQSA-N 495.362 6.295 50 40 JKGB Cc1cc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)c(C)c1 408947931 DSJBLHUQYCUMMW-MYYYXRDXSA-N 450.586 5.767 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1cc(OC)ccc1OC 408986656 SBQZQIUOGVAAFR-KGENOOAVSA-N 472.541 5.536 50 40 JKGB CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1OCC 409030002 BKJSVFDKRPIVBW-OGLMXYFKSA-N 486.597 6.115 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409043778 ANOCWLCTWYVFQV-XSFVSMFZSA-N 473.504 5.096 50 40 JKGB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccccc3)cc2Cl)cc1Cl 409252652 UJJZCTLPNOMNIB-PPDIBHTLSA-N 490.774 5.737 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)c(C)c1 409268841 BKJLDPDIUJZZLB-HZHRSRAPSA-N 453.542 5.483 50 40 JKGB COC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2)=C(C#N)[C@H]1c1ccccc1Cl 1245475 ANKKRAKTMXCJCD-OAQYLSRUSA-N 488.396 5.234 50 40 JKGB CC(C)c1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 1816451 OFRASVDHWRZMAB-UUDCSCGESA-N 477.564 5.409 50 40 JKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)(F)[C@@H](F)Cl)n2)cc1 1833123 FVZOOBHJHGRJRP-PZSRYKBRSA-N 491.966 7.491 50 40 JKGB CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 2553612 AUXODPYSZKCYRN-XMHGGMMESA-N 485.531 6.477 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9057371 YNPKGAYDQZETPH-KGENOOAVSA-N 483.911 6.526 50 40 JKGB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(/N=N/c3ccccc3)cc1)[C@H](Br)C2=O 9427552 WJVDGQHEYIHWJJ-CEUHLDOXSA-N 454.368 6.199 50 40 JKGB CCc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(Br)cc3)CC(=O)N2C1 9693402 PCYUSSRVWFNWKY-SFHVURJKSA-N 454.393 5.231 50 40 JKGB O=C(N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)C(O)(c1ccccc1)c1ccccc1 9730617 GLHDDBFCGLQSIV-WKULSOCRSA-N 499.781 6.293 50 40 JKGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\C=C\c1ccccc1 12466542 GMBRSDVAKURFPH-YEJNLHJGSA-N 461.037 5.391 50 40 JKGB COc1ccccc1C(=O)NC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)c2c(ccc3ccccc23)O1 13899126 KRMOFDCKAPTEHO-RUZDIDTESA-N 477.476 5.446 50 40 JKGB O=C(c1ccc(Cl)cc1Cl)[C@H]1O[C@@]1(CBr)c1ccc(Cl)cc1Cl 23234501 MXBHCTXNQDNXRS-CVEARBPZSA-N 454.962 6.172 50 40 JKGB COc1ccccc1C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 34771684 JOBQOOSFPFJNKE-UVHMKAGCSA-N 452.341 5.769 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCc1cccc2ccccc12 59447373 ZZASRQJVTNVRDG-STBIYBPSSA-N 458.945 6.235 50 40 JKGB Cc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccccc2)cc1Cl 59472812 YDQKYDYEJSRKLP-UHFFFAOYSA-N 490.069 5.552 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C3=C(O)CCCC3=N2)cc1C 104087790 MIYRSFMPCPTNSG-DEOSSOPVSA-N 478.017 6.598 50 40 JKGB CC(=O)Nc1ccc2c(c1)[C@H]([PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1-2 104391486 OYOFJOFJTWCPSG-MGBGTMOVSA-N 485.567 6.441 50 40 JKGB CCCCCCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1 408537001 BTWVODIRWYPMDV-XDJHFCHBSA-N 471.395 6.440 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)c3ccc(Cl)cc3Cl)cc2Br)cc1 408579522 HIALRVXWMMLIGK-VCHYOVAHSA-N 473.197 7.708 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2F)cc1OC 408580606 DABAOXRKRLTHCA-YBFXNURJSA-N 468.322 6.249 50 40 JKGB O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccc(Cl)cc1)N1C(=O)c2ccccc2C1=O 408648210 JTODYEGYOGRJCC-NRFANRHFSA-N 499.325 5.013 50 40 JKGB CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408711835 NBNGVSFYSIDQEF-DICXZTSXSA-N 457.357 5.664 50 40 JKGB COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3cccc(C)c3)n2)c1 408724235 IPPXIHWNGKLTEY-ZCTHSVRISA-N 490.563 5.782 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1)C(=O)NCc1ccccc1 408747344 MORFHUBVDYFWDS-GRSHGNNSSA-N 499.767 6.044 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1 408787539 BORRGBDNHLGVKN-CPNJWEJPSA-N 495.348 6.112 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl 408790152 UHHRWQMYRKKMGG-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccccc2Cl)c2ccccc12 408797099 GAIDFBVWOZBFOK-XSFVSMFZSA-N 474.391 7.159 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)cc1C 408811073 KZCSHJXQWQZHRX-XQNSMLJCSA-N 477.520 6.490 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 408814541 VSVNSTOPCXNUOS-LTGZKZEYSA-N 468.940 6.626 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(c1ccccc1)c1ccccc1 408818887 ZEMCNMMLUIIFST-BIZUNTBRSA-N 461.540 6.111 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)cc3)c(C)c2)c(OC)c1 408853667 WGRSZFQBDXJYFP-YDZHTSKRSA-N 490.987 5.776 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Cc2cc(C)cc(C)c2)c1 408874805 AZMUGMJQSAOKMR-CIAFOILYSA-N 465.380 6.755 50 40 JKGB N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c(F)c1 408964635 DAAYPTWTINGORY-KKMKTNMSSA-N 486.728 5.456 50 40 JKGB CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C)c1ccccc1 408979670 NXFJGQGRNDWHRL-JEWPKMHUSA-N 466.969 5.075 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1F 408982088 FOOAJFLAQYMEMA-NVMNQCDNSA-N 485.342 6.574 50 40 JKGB CCc1ccc(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccccc2)cc1 409029001 WTDGMJVQOITKAE-UHFFFAOYSA-N 469.651 5.153 50 40 JKGB C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 409075283 QKVBQRHCVJFPKU-PXLXIMEGSA-N 481.508 6.506 50 40 JKGB CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C2=C1CCCC2=O 409129331 JIIKXKPHFVXMDC-JOCHJYFZSA-N 454.357 5.302 50 40 JKGB Cc1[nH]nc2c1[C@@H](c1cc(Cl)c(OCc3ccccc3Cl)c(Cl)c1)C(C#N)=C(N)O2 409135162 VGHOHAWHEMKDNY-SFHVURJKSA-N 461.736 5.476 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409194177 NVQXXMTYGXGTSI-PXNMLYILSA-N 479.791 6.200 50 40 JKGB CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)c2C)cc1 409237249 IXTYMDRPDBHCRJ-QOMWVZHYSA-N 454.618 5.596 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1OCC 409312911 AFISJLBPMQYVCB-MWLSYYOVSA-N 482.939 5.786 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)cc1OC 409316860 NKYJOFOIKGJFCS-MBTHVWNTSA-N 485.367 5.910 50 40 JKGB O=C(CNc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 409360791 FVZGQRAHWXRXLE-XKJRVUDJSA-N 485.802 6.212 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)c3ccc(Cl)cc3Cl)c2)cc1C 409379160 VCMFASKNEULEFA-ODLFYWEKSA-N 451.353 6.692 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCc1ccc(Cl)cc1Cl 409384564 DBNIOEYOMWGHPQ-VXLYETTFSA-N 470.356 6.032 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OC)c1OCc1ccc(Cl)c(Cl)c1 409392120 LGCZKUKPOOYHLD-NHDPSOOVSA-N 468.355 7.513 50 40 JKGB Cc1ccc(N2C(=O)[C@H](Cc3cccc(C)c3)S/C2=C(/C#N)C(=O)NCCc2ccccc2)cc1 934967 TWRANUWTXFANDP-HFVAWESISA-N 481.621 5.089 50 40 JKGB O=C(ON=C1c2ccccc2[C@H](Br)[C@H](Br)c2ccccc21)c1ccccc1 1643756 SGJHKIINOHKVDO-BGYRXZFFSA-N 485.175 6.182 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccc(Cl)cc1 2078408 MMZODXIKZZDYOH-OGLMXYFKSA-N 459.933 5.482 50 40 JKGB Cc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2c(C)cccc2C)NC2=C1C(=O)CCC2 2310946 DLYQGEVJQHIUTQ-DEOSSOPVSA-N 457.599 5.413 50 40 JKGB COc1ccc2ccccc2c1/C=N/NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 6190693 RBBMCDFUENLORF-XIOXGIFKSA-N 493.607 5.271 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21)c1ccccc1 8836362 RKXVPAYQXPNCKS-ZTUOXYGRSA-N 476.580 5.286 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OCc1cccc(Cl)c1 9204487 CELZHZGXKYXCPS-VULFUBBASA-N 487.781 5.383 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 9289359 ZSJAKXOBVDFMPK-FOKLQQMPSA-N 452.135 5.709 50 40 JKGB Cc1cc(Br)ccc1N/C=C(\C#N)c1nc(-c2cc3ccccc3oc2=O)cs1 9445820 JMLWGPMAZOQXIR-RVDMUPIBSA-N 464.344 5.964 50 40 JKGB N#CC1=C2SCN(c3ccccc3F)CN2C(=O)C[C@H]1c1ccc(OCc2ccccc2)cc1 9693587 GHVBLPDMJYFEFW-QFIPXVFZSA-N 471.557 5.624 50 40 JKGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Br 9907221 ONVHEOTZRSKRAN-AUWJEWJLSA-N 464.146 5.622 50 40 JKGB N#C/C(C(=O)Nc1ccccc1)=C1/S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 9909866 ZOPLHOQCVLQMLU-CKVBZJJFSA-N 477.948 5.544 50 40 JKGB CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)c1ccc(Cl)cc1)=C(C#N)[C@H]2c1ccco1 12250271 OPQNGCACJFASGZ-NRFANRHFSA-N 452.963 5.614 50 40 JKGB N#CC1=C2Sc3ccccc3N2C(N)=C(c2nc(-c3ccccc3)cs2)[C@@H]1c1ccc(F)cc1 12273703 GSGAEBBOTKDRLE-HSZRJFAPSA-N 480.593 6.721 50 40 JKGB C=CCc1ccc(OCCOc2cccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)c2)c(OC)c1 13942534 BRTUGFRESNETLL-JJIBRWJFSA-N 468.553 5.736 50 40 JKGB N#CC1=C2C=CC=CN2[C@@](c2ccccc2)(C(F)(F)F)N=C1SCc1ccc(Cl)cc1Cl 14181613 ZMXLPKZTEQDFQH-QFIPXVFZSA-N 492.353 7.217 50 40 JKGB COC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1Cl 20026042 JXVNJKBCOYAKDV-QHCPKHFHSA-N 496.032 5.506 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1cc(Cl)cc(Cl)c1 28216333 DRLJQCYKFSMVSL-NSKAYECMSA-N 485.198 6.237 50 40 JKGB Cc1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)c(C)c1 30843660 WBGBYLJFPFFNGT-WKIKZPBSSA-N 471.340 5.359 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C\c1cccn1-c1ccc(Br)cc1 33295548 DZVIPJAXUHCCSR-UUYOSTAYSA-N 471.405 5.092 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1-n1cccc1 33957472 LORNJEFKGSVIKW-LQKURTRISA-N 464.352 6.127 50 40 JKGB O=C(CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31)N/N=C/c1ccccc1 57061390 AVFISANCMIGZNB-UVKUDMKVSA-N 454.618 5.532 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 59117298 FOEWBPSLPJNDBU-YVLHZVERSA-N 487.770 6.780 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccc(C)cc1 59335734 NVJWFFQNAQLQNM-ONUIUJJFSA-N 466.581 6.555 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1cc(F)ccc1C 408609114 YVLFOHNQLMISTN-RGVLZGJSSA-N 484.531 5.718 50 40 JKGB O=C(O[C@@H](C(=O)c1ccccc1)[C@@H](Br)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 408674385 ZPUOZWRHYRXUNT-PZJWPPBQSA-N 488.721 5.793 50 40 JKGB CCOc1ccc(CC(=O)N/N=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 408711849 NIOCMHZZSQLORP-DICXZTSXSA-N 457.357 5.664 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 408726311 RWTAXPJEPSZTMA-UNOMPAQXSA-N 493.357 5.591 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(I)cc1 408753236 FRUAJDQCJGFFDX-RGEXLXHISA-N 480.305 5.416 50 40 JKGB CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 408773266 QFUQMDGJZXRUCF-CHHVJCJISA-N 478.730 5.021 50 40 JKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1c(OCc2ccccc2Cl)ccc2ccccc12 408782791 JQHSUGPPYWRARK-KQWNVCNZSA-N 466.968 7.235 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)c(Cl)c2)cc1Cl 408793525 FPAKAABCSCUOPU-FSJBWODESA-N 487.386 7.580 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc2ccccc2c1 408798244 VHTRLBKDIBSQOD-ZVHZXABRSA-N 493.519 6.271 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1Cl 408800531 NRKZWULNYRKBKJ-LPYMAVHISA-N 487.386 7.580 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1 408802533 FVAIIEOXIHVLEH-CJLVFECKSA-N 497.392 7.035 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12)C(=O)Nc1ccccc1 408807181 OJNZMBZYSWVWEZ-HMMYKYKNSA-N 473.359 7.271 50 40 JKGB CCOc1ccc(Cl)cc1/C=N/NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1 408841333 GJGPKQNJYCZVEU-KBKYJPHKSA-N 482.915 5.650 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1 408854745 CBSQFYPPGBUSDY-CXUHLZMHSA-N 475.734 6.911 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OCc3ccc(Cl)cc3)c2)c([N+](=O)[O-])c1 408887891 RWUMMMVGRBQFJJ-WOJGMQOQSA-N 493.903 5.390 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 408898041 JTEIARYDEBWWJZ-XSFVSMFZSA-N 480.973 5.524 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1-c1ccc(Cl)cc1Cl 408933873 ATIHSJCGJUPQEU-NSKAYECMSA-N 498.197 5.797 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1Cl 408981366 ARIHQFJFIMQGRI-IWIPYMOSSA-N 475.979 7.350 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCC(=O)Nc1ccccc1C 409009783 ICWVJNKEYACPEU-UXHLAJHPSA-N 481.552 5.328 50 40 JKGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 409147530 MNBRROBLLVJNLS-HXUWFJFHSA-N 475.759 6.041 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(OCC)c(O)c(Cl)c3Br)cc2c1 409186370 BAVJCGDPFVOHBZ-RMORIDSASA-N 481.730 5.116 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2)c1 409250582 NAYZEGHVUYCPTO-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)cc2)cc1OCC 409301284 DRTXMUSIUZHEBE-YUMHPJSZSA-N 452.938 5.480 50 40 JKGB C#CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OCC)c1 409317085 OOEFDGKWZOGPAC-QRQIAZFYSA-N 462.933 5.094 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC3=C2C(=O)CCC3)ccc1O 2340241 SGLUIYAWCXTSQE-JOCHJYFZSA-N 452.963 5.417 50 40 JKGB C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1 3111965 PBFUWMOOMSXXJD-DFVFNMDZSA-N 454.595 6.191 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c(C)n1-c1cc(Cl)ccc1Cl 3176266 QVEJFYLRSHRFIN-KBKYJPHKSA-N 494.220 5.726 50 40 JKGB C/C(=N\NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccc2ccccc2c1 8780776 HKJUBXPSHALPQB-OVVQPSECSA-N 464.407 5.355 50 40 JKGB Cc1cccc(CSc2ncc(Cl)c(C(=O)NC3=C(C#N)[C@H]4CCCC[C@H]4S3)n2)c1 8917366 PFTRUSFYMKRDOL-CRAIPNDOSA-N 457.024 5.501 50 40 JKGB C/C(=N/NC(=O)COc1ccc(Cl)cc1Br)c1ccc(-c2ccccc2)cc1 12362186 MCFHIWJMBUURGM-MYYYXRDXSA-N 457.755 5.689 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc(F)cc1 13582813 SBKOYHKIQIJFGQ-MYYYXRDXSA-N 482.631 5.755 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccc(I)cc3)c2)c(C)c1 20195085 BNRKPCCCAJQAPU-CVKSISIWSA-N 498.364 5.180 50 40 JKGB CC(C)(C)c1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 33403350 TULVSRGEWHERKR-YVLHZVERSA-N 470.425 6.884 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 33719826 VLWSKVJNIGWEHA-RDRPBHBLSA-N 489.572 5.563 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(F)cc1 59117381 ZQAKTJFYGZJLMW-LICLKQGHSA-N 471.315 6.266 50 40 JKGB CCOc1cc(/C=C(\C#N)C(N)=S)cc(Br)c1OCc1cccc2ccccc12 98086815 IKKDWOUUKRHPCI-VCHYOVAHSA-N 467.388 5.773 50 40 JKGB N#Cc1ccccc1COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br 100224576 RIOSJCZBQUBJHU-VYYCAZPPSA-N 474.314 5.410 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1OCC 408540569 UAVCNXKHROVXGJ-PKAZHMFMSA-N 465.421 6.895 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 408746375 SETZHAAOXXOKLU-SXGWCWSVSA-N 475.734 6.911 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12 408758974 VUPPXXAVAKKZEH-LYBHJNIJSA-N 482.539 7.066 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(Cl)cc1 408787935 HQHAIEYCTLZZFJ-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1 408791154 UXJPOVACLVQKDF-FYJGNVAPSA-N 461.359 6.191 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 408791803 CRODKIAOQXWSFR-VCHYOVAHSA-N 455.316 6.566 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCc1ccc2c(c1)OCO2 408808309 FMHXSVCVSIZJMM-VXLYETTFSA-N 476.916 5.510 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)Nc2ccc(Cl)cc2)c1Cl 408813232 QGGUZNWTHVSGAW-OPEKNORGSA-N 495.750 6.316 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1Cc1ccccc1Br 408874042 YUZMCHMFAKGHJC-LICLKQGHSA-N 497.776 5.953 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1Br)C(=O)Nc1ccc(Cl)cc1 408895413 KHCITJXRXROKKJ-QGOAFFKASA-N 467.750 6.227 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)c(C)n1-c1ccccc1 408923799 KGQPSYGAIASVLQ-QGOAFFKASA-N 467.310 5.244 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1Cl 408983713 NQYGMNAAUUQHFC-ZDLGFXPLSA-N 482.367 6.042 50 40 JKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)c1 408991988 POCSPYFEOJVNGY-LDADJPATSA-N 486.578 6.518 50 40 JKGB Cc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cccc3ccccc23)c1 409226835 WBLGKSDFJWLCNO-YUMHPJSZSA-N 453.454 5.040 50 40 JKGB COc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Br)cc2)cc1 409227243 UPZMAFVCMUGYGY-MXAYSNPKSA-N 487.737 5.094 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)NCCCc1ccccc1 409237607 AHNHCOMMCNOGDK-RRAHZORUSA-N 469.588 6.499 50 40 JKGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)c2cccc3ccccc23)cc1OC 409314076 FAXMHIDWXVQSNY-CJLVFECKSA-N 464.521 5.939 50 40 JKGB CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)ccc1OCc1ccccc1Cl 409365783 RZHQRXCQGQLQTG-ZVHZXABRSA-N 465.040 5.354 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccc(I)cc1 409392863 OBWHDFWMXXMAJC-NDENLUEZSA-N 499.323 6.472 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2293512 HUXYIJSPJIXPME-STBIYBPSSA-N 499.640 5.488 50 40 JKGB Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(-c3cccc(Br)c3)o2)c1 2328625 SYNRTTVXHWZKMH-DHRITJCHSA-N 455.352 5.670 50 40 JKGB Cc1cccc(N/C(SCc2ccccc2Cl)=C(/C#N)S(=O)(=O)c2ccccc2)c1 2689714 HRQSSECECSRIQQ-GHVJWSGMSA-N 455.004 6.160 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(N)=C(C#N)[C@H]2c1ccc(F)cc1 3666084 XTYURHJBDKVJQH-HSZRJFAPSA-N 472.589 5.579 50 40 JKGB COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1OCc1c(F)cccc1Cl 8854650 UUNORKXLYNUXEE-LDADJPATSA-N 499.933 5.770 50 40 JKGB CCCCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2F)cc1 8917423 KYXUHBVWIZMTMU-VWLOTQADSA-N 458.489 5.442 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c(C)n1-c1ccc(C(=O)O)cc1 9514066 VEHCJXXXQGBSHB-RWPZCVJISA-N 451.482 5.456 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1OC 28217620 KTMWOKNAQVTTKW-LGJNPRDNSA-N 460.361 5.111 50 40 JKGB CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1 30822040 MCZBJHITJPRSMS-UWSVQNCHSA-N 464.949 5.602 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)[nH]c2c1 34861890 WPSSMLVFWNZOEW-MFOYZWKCSA-N 479.323 6.730 50 40 JKGB O=C(COc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 35088440 MMSMTEBBXBZSRC-ZRGSRPPYSA-N 476.747 5.428 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 59117601 OESGYZZCJMYEMM-XMHGGMMESA-N 487.342 6.911 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccccc3)N=C3CCCC(O)=C32)ccc1O 102875352 VGFKNMDVZPOXRB-HSZRJFAPSA-N 461.543 5.042 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)c(Br)c1O 107731090 NDXNNVQWNFYPQR-SDQBBNPISA-N 468.101 5.288 50 40 JKGB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1ccc(SC#N)c(Cl)c1Cl 408531641 KYVIMVWRAPEBGZ-JYRVWZFOSA-N 451.766 6.247 50 40 JKGB CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1OCC 408539180 UOZQSMQCWGDWNQ-PKAZHMFMSA-N 465.619 6.240 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1 408543691 SCZQHNIOOYHUQA-IDUWFGFVSA-N 485.298 5.955 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1OC 408581733 ZBKVAKPJWZTDCW-YBFXNURJSA-N 484.777 6.763 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 408736992 FUCWTRAFXURFOR-DHRITJCHSA-N 481.986 5.411 50 40 JKGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1Br 408743566 GSVBXXNYUVYZLJ-GDNBJRDFSA-N 459.727 5.059 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OCC)c1OCc1ccc2ccccc2c1 408772708 QPMUJGOIXOYJBN-QQXSKIMKSA-N 454.570 5.978 50 40 JKGB COc1c(Br)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1Br 408810280 PFUFDTXGGDBZNW-AZZDOICSSA-N 464.157 5.005 50 40 JKGB COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 408811544 MNHVKEUTOOJFSA-LICLKQGHSA-N 487.770 6.780 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl 408823681 FUNZTUBPXMYRMP-XSFVSMFZSA-N 481.379 6.907 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc(Cl)c1OC 408836563 SLTRDJDKXOSPLC-FYJGNVAPSA-N 476.960 6.180 50 40 JKGB O=C(N/N=C/c1cccs1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 408847276 UQJYYVBPDCLJAN-BHGWPJFGSA-N 474.394 6.286 50 40 JKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2Br)c1 408876961 RJDPLLMECNRBPE-ZMOGYAJESA-N 473.414 6.819 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(C)cc1 408883258 SKWJPSHZOHAXOH-UDWIEESQSA-N 491.931 6.080 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1Cc1ccccc1Cl 408884051 WOKFTSJNFTZPQX-LICLKQGHSA-N 499.767 6.387 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OCc2ccccc2Cl)c1 408889738 GNWGCAUKGAHRHN-WOJGMQOQSA-N 486.877 6.492 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)ccc1Br 408904914 QHVHNVKGTYJANT-QFEZKATASA-N 468.399 5.387 50 40 JKGB Cc1ccc(Sc2oc(/C=N\NC(=O)COc3ccccc3Cl)cc2Br)cc1 408912806 SBKUIUDLBJJJLO-KSEXSDGBSA-N 479.783 5.684 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1 408947627 CSERDIOCASCZSB-HAHDFKILSA-N 451.526 5.021 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2cccc3ccccc23)cc1 409042681 OCGWYTCBGGYBPC-LPYMAVHISA-N 487.386 7.580 50 40 JKGB COc1ccc(-c2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)c([N+](=O)[O-])c1 409048008 VPMFSWZGPPBAIE-STBIYBPSSA-N 492.491 5.843 50 40 JKGB COc1ccc([C@H]2CC(=O)NC(SCc3ccc(Cl)cc3Cl)=C2C#N)cc1Cl 409303738 OGQMZSNJCWJMNQ-CQSZACIVSA-N 453.778 5.927 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccc(Cl)cc1 409360608 BGKLMICDPGTJDM-WQRHYEAKSA-N 469.722 6.654 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1cccc(C)c1 409391513 IIUBHWBMMAHLBP-NHDPSOOVSA-N 466.350 6.939 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409391888 KEQCHHFIARSCFM-LSCVHKIXSA-N 476.762 7.828 50 40 JKGB COc1ccc(Nc2ccccc2C(=O)N/N=C/c2ccc(N(CCCl)CCCl)cc2)cc1 1717060 HIRSCKMGPFLKQF-MTDXEUNCSA-N 485.415 5.487 50 40 JKGB O=C(Oc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(CCl)cc1 2161639 JFMLBJAVLIIHQR-UHFFFAOYSA-N 451.784 6.364 50 40 JKGB C=CCn1c(COc2ccccc2)nnc1S[C@H](C)C(=O)N/N=C(/C)c1ccc2ccccc2c1 8397337 WQXCHYIRRZTZET-IMOINDBUSA-N 485.613 5.217 50 40 JKGB C/C(=N/NC(=O)CSCc1ccccc1C)c1cccc(NC(=O)c2cccc(Cl)c2)c1 8402987 PTKJXOXXKITYPB-VEILYXNESA-N 466.006 5.674 50 40 JKGB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)CCl)[C@@H]3c2cccc(F)c2)cc1 9379857 APKWIDAXTUYRLM-HMILPKGGSA-N 490.962 5.974 50 40 JKGB Cc1cc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c(C)n1-c1cccc(Cl)c1 13042033 MOQLMGJWVBAUPJ-CJLVFECKSA-N 484.991 5.229 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)c1nc2ccccc2s1 15944911 NOXLSBRCXSYYGF-DTQAZKPQSA-N 452.944 5.782 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 16450195 YKNPJEINLMECLK-FJEPWZHXSA-N 468.944 5.420 50 40 JKGB Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)c2cc3ccccc3cc2O)c1C 20243896 LJYGEXVJPHCTCS-CCVNUDIWSA-N 490.401 6.096 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC(C)(C)C)=C(C#N)[C@@H]1c1sccc1C 20348235 XPYVITOHLGBGQI-FQEVSTJZSA-N 495.670 5.101 50 40 JKGB O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccccc1Cl 30743031 KLQDJNOPTMSRDW-NKVSQWTQSA-N 469.444 5.380 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(Br)c(Cl)c1 33874096 PQKRTNHIZUKHSB-ZDLGFXPLSA-N 455.739 6.272 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2cc3ccccc3oc2=O)cs1 38198348 IULFIGREFNDAJL-OQLLNIDSSA-N 491.355 7.547 50 40 JKGB CC(C)(C)c1ccc(CS/C(Nc2ccccc2F)=C(\C#N)S(=O)(=O)c2ccccc2)cc1 56918333 YNXXJLHXCTXRDH-OCOZRVBESA-N 480.630 6.635 50 40 JKGB O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1 58985660 YEBAAEMWPYPOFA-AJBULDERSA-N 457.533 5.938 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1 59087128 NZRQLNJBJWPXPJ-OTJDAXFFSA-N 498.808 5.308 50 40 JKGB COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c(C)c1 59336319 QNDPHEKOOKKUBH-UNOMPAQXSA-N 482.367 6.042 50 40 JKGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3cccc(F)c3)c(OCC)c2)cc1 83301324 DVIDHPMJAOZVCT-AKLYFZKISA-N 494.563 5.166 50 40 JKGB O=C(CCCl)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccc(Br)c1 89774400 ADDVMWHJFKPDCG-KRWDZBQOSA-N 470.592 5.518 50 40 JKGB Cc1cc(/C=N\NC(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 96476777 LTAJUIPMGQTHGP-YSMPRRRNSA-N 467.411 6.310 50 40 JKGB COc1cc(C(=O)OC(=O)c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1 100401802 ZSKPRSCIVQDZDS-UHFFFAOYSA-N 498.531 5.859 50 40 JKGB CCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1 100987605 DWLOPCCLASTVAD-HAVVHWLPSA-N 459.615 6.629 50 40 JKGB O=C1OC(=O)[C@@H]2[C@@H]1[C@@]1(c3ccccc3)C(=O)[C@@]2(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 105149249 RRYGIAWZXXLJOD-ZSRGRNNSSA-N 482.535 5.386 50 40 JKGB N#C/C(=C/c1ccccc1Sc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2 408551332 CCTIMXSZKYDLGP-LGMDPLHJSA-N 476.026 6.849 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1Cl 408724451 ADZJOZODXUCDLF-JAIQZWGSSA-N 481.379 6.744 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 408745568 SRHPNQGVMKTBTL-ZDLGFXPLSA-N 485.342 6.656 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc1OC 408760099 RNJCHDASLFIZQC-VCHYOVAHSA-N 451.320 5.555 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1OCC 408763782 KBKKKCKJQWMKEI-PDGQHHTCSA-N 455.352 5.521 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc1 408766307 UEYLLBFSVDCTIE-XQNSMLJCSA-N 468.534 5.462 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408789240 HTOYADTXCHTIPD-YBFXNURJSA-N 492.915 5.267 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)c1C 408792196 JJLZGPYHUVHOMI-CIAFOILYSA-N 460.917 5.780 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OC(C)C 408801791 BRVANVAEUQJMLG-LICLKQGHSA-N 490.341 5.331 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(Br)cc1 408805007 IJKUMEPRWDDCGD-QGOAFFKASA-N 467.750 6.227 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc2c(c1)OCO2 408818445 VLGSBZVARDNUNP-KEBDBYFISA-N 490.943 5.901 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)c(OCc2cccc(C)c2)c1 408835835 ZLCUQOFITQBXLY-RGVLZGJSSA-N 492.959 5.799 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1Cc1ccccc1Cl 408869291 QPFIAWZDSOPDSB-RGVLZGJSSA-N 451.353 6.447 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1 408896636 SRGIXXMSBWPYQY-XSFVSMFZSA-N 460.917 5.812 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 408921848 CLUOIXLPTURNBA-SFQUDFHCSA-N 477.860 5.022 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc4ccccc34)c2)cc1Cl 408934499 DUHCVJHQDWSJPP-UCQKPKSFSA-N 452.941 6.926 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccccc1Cl 408964733 DLMKHICDHLKKCX-VFLNYLIXSA-N 486.330 5.746 50 40 JKGB C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1 409047814 NFBMZBUMDCNGAJ-NTEUORMPSA-N 462.141 5.322 50 40 JKGB COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1OCc1ccc(C(=O)O)cc1 409185082 RRNQZTJJGSOUKB-UYRXBGFRSA-N 462.889 5.171 50 40 JKGB COc1ccc(Cl)cc1C(=O)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1 409224084 KFIZRDDWBHAILU-ZRGSRPPYSA-N 477.731 5.639 50 40 JKGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccc(Cl)cc1 1834298 SPVFEFXTEHGDFC-WYMPLXKRSA-N 485.059 5.879 50 40 JKGB COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 1915662 YKDYZYJHKXGLJJ-CIAFOILYSA-N 474.365 5.919 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21)c1ccccc1 2197029 XHGHOKCXDAEWRP-GJGNJIHCSA-N 489.362 5.296 50 40 JKGB O=C(N/N=C\c1cc(/N=N/c2cccc(C(F)(F)F)c2)ccc1O)[C@H]1COc2ccccc2O1 8861055 SNPRGXVZXCKVCN-RTMOLWCRSA-N 470.407 5.117 50 40 JKGB N#C/C(=C\Nc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2ccc3ccccc3c2)cs1 9087119 KWGTYFLEKPSUEJ-SFQUDFHCSA-N 455.892 7.612 50 40 JKGB Cc1cc(C)c(OCC(=O)N/N=C\c2ccc(-c3ccccc3Cl)o2)c(Br)c1 9908306 YMDMTWABINSMSY-MYKKPKGFSA-N 461.743 5.508 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1 12659946 JVKAFEYUCXLWOK-LFIBNONCSA-N 488.849 6.341 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCCOc2cc(C)cc(C)c2)c1 13895640 RIFHKOCBZODZPC-FYJGNVAPSA-N 495.406 6.922 50 40 JKGB C/C(=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccc2ccccc2c1 13941028 FMXOOUHBTYITNE-NDZAJKAJSA-N 478.577 5.171 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 107713269 IEADAPBTSTVZIO-JAIQZWGSSA-N 491.931 6.037 50 40 JKGB C[C@@H](C[C@@H]1CC(=O)c2c3c(c4ccccc4c2O1)O[C@@H]1CC(=O)O[C@H]31)O[Si](C)(C)C(C)(C)C 195752313 BNJSPQNGLIXZGN-IKIGVNKISA-N 468.622 5.723 50 40 JKGB CCCCCCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cccc([N+](=O)[O-])c1 408537929 IEHYSPHGLWFKNH-RGEXLXHISA-N 455.942 6.533 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c2ccccc2n1Cc1ccccc1F 408541528 GOHVVXMOVJXIOV-ZHZULCJRSA-N 453.473 5.381 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(Br)c1)C(=O)Nc1cccc(C(=O)O)c1 408542701 NJLQKUVAJGYLJR-NVMNQCDNSA-N 495.304 5.411 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1O[C@H](C)CC 408552866 LFHPLSQEXQCHDI-ZXMBATIKSA-N 484.021 6.274 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)c1ccc(Br)cc1 408579418 HDOYUQJHMSAIQH-YBFXNURJSA-N 468.734 6.444 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(Br)cc1 408581476 XDSUIMGICOBSLE-WOJGMQOQSA-N 469.722 6.654 50 40 JKGB Cc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccccc4Cl)c3)CC2=O)cc1C 408607600 NHHJNFFGQUPJGB-HXUWFJFHSA-N 463.965 5.032 50 40 JKGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br 408746610 TVWFLLHDHCOKIV-JYRVWZFOSA-N 450.119 5.314 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)C(=O)Nc1cccc2ccccc12 408760125 SARNRMPYUBTIOR-RCCKNPSSSA-N 481.939 6.056 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Br)cc1OCc1ccc(F)cc1 408799460 ZEJILEDZCKMWII-XDHOZWIPSA-N 495.348 6.112 50 40 JKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 408816905 UYLOQQFILAJVBY-RCCKNPSSSA-N 480.524 5.769 50 40 JKGB N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Br)c1)C(=O)Nc1ccccc1F 408874560 BSWMXNSYUYYDSH-WOJGMQOQSA-N 453.286 5.864 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Cl)c2)c(OC)c1 408879718 CPLNYEGDKPIULV-CIAFOILYSA-N 462.933 5.160 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1Cc1ccccc1F 408881966 MQXVCPCNJVFTCD-WOJGMQOQSA-N 452.888 6.153 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)ccc1OC(=O)c1ccccc1 408892764 CHOZWPQMWDMJPI-QGOAFFKASA-N 477.314 5.223 50 40 JKGB COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Cl)c1OC 408896582 SETOIDHFFSBFFC-RWPZCVJISA-N 475.029 5.741 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Br)cc3)c2)c1 408936045 JTLDWXITJNQPBM-BKUYFWCQSA-N 461.359 6.191 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1Cl 408981298 ADKJGUSRVYWZCR-ODLFYWEKSA-N 467.352 6.435 50 40 JKGB Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1 409058661 SKTFFDLCLGALCP-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)cc2Cl)c1 409208407 FUODPPNXFNSMFP-KKMKTNMSSA-N 493.843 6.777 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccccc2)cc1Cl 409251563 AGTNQDIOKTWCIN-ZMFRSBBQSA-N 456.329 5.083 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)c1C 409267432 UTGOQGLYEIFYCO-ODLFYWEKSA-N 494.378 6.173 50 40 JKGB Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)CC(=O)N2)c(Br)c1 409309110 BNYFHNPRUBKDRK-HNNXBMFYSA-N 490.810 5.122 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1OC 409334372 LBRPDACMROFDOP-MBTHVWNTSA-N 482.964 5.407 50 40 JKGB BrC(Br)c1cc2ccccc2cc1C(Br)Br 1621371 OULPKHKBESTEJR-UHFFFAOYSA-N 471.812 6.417 50 40 JKGB CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(=C/c2ccccc2)c2ccccc2)c(OCC)c1 1911691 WDUPRWWBTSXOHB-WZGDJCGDSA-N 467.521 5.702 50 40 JKGB O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cc(Cl)c(O)c(Cl)c1 2162194 RMDXQXAHDIIXOY-ZNLRHDTNSA-N 489.306 5.611 50 40 JKGB CCN(CC)CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 2205221 VBNNAZYCENJPPE-HKWRFOASSA-N 490.585 5.014 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)OC)ccc1OCc1ccc(Cl)cc1 3232217 LWHGTGJTZRMWGT-XSFVSMFZSA-N 490.943 5.650 50 40 JKGB CCCCCCCCOc1ccc(OCC(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1 8386452 WYCMDNCVSHMMKT-SGWCAAJKSA-N 453.627 5.801 50 40 JKGB C[C@@H](/C=N/NC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1)c1ccccc1 8692484 VFRYNDGIUVMCLO-XTFCHBONSA-N 469.566 5.068 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 8812626 JBGCRZJBMFDBGI-AUEPDCJTSA-N 468.134 5.788 50 40 JKGB CCC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2ccc(OC)c(OC)c2)c(C(C)(C)CC)c1 12563821 GFFFYNUBMAYCJD-TWKHWXDSSA-N 482.665 6.388 50 40 JKGB N#C/C(=C\c1ccc(OCCOc2ccccc2Cl)c(Cl)c1)C(=O)NCc1ccco1 13881173 IQTMKQKUTBLXMN-SFQUDFHCSA-N 457.313 5.268 50 40 JKGB COc1cccc(OCCOc2c(Cl)cc(Cl)cc2/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1 13898940 CIWWSKGCAJOHGA-WQRHYEAKSA-N 485.323 6.432 50 40 JKGB COc1ccc(/C=C\C(=N/NC(=O)N/N=C(/C=C\c2ccc(OC)cc2)C(C)C)C(C)C)cc1 17223433 XWIYUBIKBZDADU-PQONBVEOSA-N 462.594 5.754 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCc1ccccc1 20760818 CLJYBYHECFBJSM-DHRITJCHSA-N 473.754 5.454 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)n1-c1ccccc1 28216910 MGUJQXWPIOZAQJ-STBIYBPSSA-N 474.029 6.804 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OCC 33335214 YEZOBMQYDQJXFB-KSEXSDGBSA-N 465.731 5.410 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)c1 36076645 RHSNWXYITSZOJO-XSFVSMFZSA-N 477.358 5.972 50 40 JKGB COc1cc([C@@H]2C3=C(CC[C@H](C)C3)C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1ccccc1 36611859 QPBMAFMQQDISBN-HFJWLAOPSA-N 450.542 5.258 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1C 59266386 NJGYIHRKSZCIJU-UDWIEESQSA-N 495.804 6.844 50 40 JKGB CCS/C(SC)=C(\c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1 103844421 BAHGJJPXMZPPKO-ZQHSETAFSA-N 472.659 7.155 50 40 JKGB COc1cc(N2N=C(C)/C(=C/Nc3ccc(SC#N)c(Cl)c3Cl)C2=O)ccc1Cl 408533843 PHNFEXRQVSCAJB-WQLSENKSSA-N 467.765 5.947 50 40 JKGB COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3cccc(Br)c3)c3ccccc32)c1 408541799 HTIKQNMVCOHZAI-MZJWZYIUSA-N 490.357 5.003 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccc(C(=O)O)cc1 408570239 SXQNPLBQGLDOFH-NVMNQCDNSA-N 491.906 6.095 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccccc1 408726188 RFBXBXBAWHMHNP-BKUYFWCQSA-N 491.385 6.281 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(=O)NCc1ccccc1 408747720 RZBJDBUHFHXNOC-OCKHKDLRSA-N 482.323 5.704 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1C 408787825 GUDIUGJSALUSLF-KOEQRZSOSA-N 455.561 7.005 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 408813487 UKSHFVSEMUTBNO-LICLKQGHSA-N 457.744 6.771 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 408845077 JVRJOWMQQALXTP-MOSHPQCFSA-N 474.391 7.159 50 40 JKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)c(Cl)c3)c(C)c2)c1 408856893 LWJQCUXTHPESHH-WSDLNYQXSA-N 479.407 7.352 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2F)c(Br)c1)C(=O)Nc1ccc(Cl)cc1 408865622 BNINECDPXQGEHU-WOJGMQOQSA-N 469.741 6.378 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 408867761 NFXKLKHCLRIQJY-WOJGMQOQSA-N 467.403 5.738 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OCC 408879624 CAIOYDGSWIQXCM-LDADJPATSA-N 455.352 5.521 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCc1ccc(Cl)cc1Cl 408886345 KEMSUMASGWTRGM-WOJGMQOQSA-N 453.325 6.127 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccc(Cl)cc2)c1 408891232 NFOPXBIOKUPDJF-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(I)cc2)cc1)C(=O)NC1CCCCC1 409001957 RGRLEJYMIZLDJD-RGEXLXHISA-N 486.353 5.226 50 40 JKGB CC(C)C[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C(=O)N/N=C/C=C/c1ccccc1 409012130 HSJRKHGGTIARHV-BFPSNGKXSA-N 476.404 5.107 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1 409128585 PUWWWXGAEXQHAZ-XMMPIXPASA-N 463.965 5.048 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Br)ccc1OCc1ccc(F)cc1 409139298 ACIWZKRJFGBWQW-JOCHJYFZSA-N 467.294 5.091 50 40 JKGB N#CC1=C(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)NC(=O)C[C@H]1c1ccc(F)cc1 409322901 YNCYBMVOYHVPCW-AWEZNQCLSA-N 483.874 5.208 50 40 JKGB COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC 409337614 ZYGYWSBEIKWAKJ-WKIKZPBSSA-N 489.355 5.362 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1ccccc1Cl 409394146 WIEXLLBNMALRHK-NVMNQCDNSA-N 472.741 6.893 50 40 JKGB CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccccc3)C3=C2CCCC3=O)sc2c1CCCC2 714763 JFPGROSIDROIHD-JOCHJYFZSA-N 473.598 5.108 50 40 JKGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2ccccc2C)NC2=C1C(=O)CCC2 2309435 KOVOECFOCFITDW-RUZDIDTESA-N 473.598 5.195 50 40 JKGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)cc1 2428713 NWQDWFQOFDOUHJ-KGENOOAVSA-N 491.956 5.095 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 2669767 LNNGVSQUKAWUFP-JQIJEIRASA-N 490.541 5.048 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1OCc1cccc(C#N)c1 8812438 AGUFAUKHRFURAQ-CCVNUDIWSA-N 496.336 5.201 50 40 JKGB COc1ccc(OC)c(/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c1 9057615 CCLHJBSRJBZUFX-WOJGMQOQSA-N 466.518 6.151 50 40 JKGB CCOc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1 12587905 ABUFTFCGFZYGPJ-JVWAILMASA-N 458.587 5.034 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(/N=N/c2cccc3ccccc23)ccc1O 13839130 NWIMOOWRJMVNOM-JZPBETOZSA-N 487.357 6.416 50 40 JKGB C=CCOc1cc(Cl)c(/C=C2\S/C(=N/c3ccc(SC#N)cc3)NC2=O)cc1OC 13914324 MPSCWZPUVXWLAP-GRSHGNNSSA-N 457.964 5.378 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 16226761 HVJARPIWPJOMKN-AUEPDCJTSA-N 468.134 5.788 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)c1 16735998 RINZXLQRHYEUEA-HEHNFIMWSA-N 492.579 5.947 50 40 JKGB N#CC1=C2SCN(C3CCCCC3)CN2C(=O)C[C@@H]1c1cccc(OCc2ccccc2)c1 20348302 YQWLAKUJKDHBGE-XMMPIXPASA-N 459.615 5.613 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2sc3c(c2C(=O)O)CCCC3)c1C 34737122 XGORYPGHRURGRA-ZHZULCJRSA-N 473.598 5.841 50 40 JKGB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2OC(=O)c2ccc(Cl)cc2)C(C#N)=C(N)O3)cc1 51331079 QBHYKNMOGUZAPM-QFIPXVFZSA-N 482.927 5.476 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCc1ccc(Cl)cc1 59117321 BQFOBGLDDFRNKU-GZTJUZNOSA-N 487.770 6.780 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(C)c1 59281786 KHQYDONRSLBSCR-FYJGNVAPSA-N 457.486 5.427 50 40 JKGB C=CCn1c(-c2ccc(Br)cc2)cs/c1=N/NC(=O)c1ccc(Br)cc1 100055127 MFJZYPFKSFVPJS-FCDQGJHFSA-N 493.224 5.173 50 40 JKGB CCCCCOc1ccc(CN2C(=O)/C(=N/NC(=O)COc3ccccc3C)c3ccccc32)cc1 103041317 PEEVHRALRARDIT-CCFHIKDMSA-N 485.584 5.010 50 40 JKGB Cc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)c(C)n1-c1cccc(Cl)c1Cl 108225847 PQQZAOYBWOUKOY-LFIBNONCSA-N 456.423 7.667 50 40 JKGB CCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OCC 408538388 MBLFDEHNQQRUJY-KGENOOAVSA-N 485.422 6.030 50 40 JKGB N#C/C(=C\c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1)c1nc2ccccc2[nH]1 408552998 UCKDBNXLBKDIQL-MHWRWJLKSA-N 463.324 5.951 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccc(Br)cc1 408581657 YLXDFRWSHUGHHR-WOJGMQOQSA-N 459.170 7.399 50 40 JKGB C/C(=N\NC(=O)CCSc1ccc(Cl)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 408720079 RPUIUNDVGNDVBN-LQKURTRISA-N 486.424 6.268 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc2ccccc2c1 408788474 DFZWGWUSQUDRAU-AFUMVMLFSA-N 496.994 7.243 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)cc1OC 408849026 YKVKOLXIXQZNNM-JFLMPSFJSA-N 472.570 5.643 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)cc1OCc1ccccc1 408851143 VOZGLRLMAGGYPP-DICXZTSXSA-N 493.357 5.937 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1 408854417 FLPBENRHEFMEGJ-CXUHLZMHSA-N 475.734 6.911 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1Cc1ccccc1Br 408871116 XUMPVJWMIFECDB-LPYMAVHISA-N 475.386 6.211 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Br)C(=O)Nc1ccc(Cl)cc1 408871358 YSYPWROKMFCPRH-LDADJPATSA-N 486.196 6.892 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OC(=O)c1ccccc1 408880950 LIMPZIIASDXKQC-LDADJPATSA-N 477.314 5.223 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1Cc1ccccc1Cl 408884336 UBGCLSVTEGBHDF-YBFXNURJSA-N 451.353 6.447 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1cccc(C)c1 408904318 HVSPTWFDGDMWBR-DICXZTSXSA-N 473.485 5.391 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)NCCc1c[nH]c2ccccc12 408947226 BHGZZVXJDVBQMJ-MTJSOVHGSA-N 490.390 6.320 50 40 JKGB O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(CSc2ccccc2)cc1 408997303 NPNQSYRZARYJBS-OVVQPSECSA-N 474.586 5.641 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OCc1ccccc1Cl 409065731 JHJRXQSBDXJRQW-KGENOOAVSA-N 493.390 6.855 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4cccc(C(=O)O)c4)c(Cl)c3)cc2c1 409187978 WCRDPOWMFLQEIF-MUXKCCDJSA-N 492.915 5.526 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)c1ccc(Cl)cc1 409195558 WKFQPKOLKWHKCG-OPEKNORGSA-N 478.719 5.898 50 40 JKGB O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 409214172 WCCWCDRIIUZCLY-LSHDLFTRSA-N 450.303 5.404 50 40 JKGB Cc1c(Cl)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C 409237792 JMUAFRGGNBUKKV-WQRHYEAKSA-N 457.883 6.620 50 40 JKGB Cc1cccc(C(=O)Nc2ccccc2SSc2ccccc2NC(=O)c2cccc(C)c2)c1 409257000 OPIANIXROLRGKP-UHFFFAOYSA-N 484.646 7.607 50 40 JKGB CCOc1ccc([C@@H]2C(C#N)=C(SCc3ccccc3Cl)NC(=O)[C@H]2C(=O)OC)cc1Cl 409322262 LLXZFRSZFWKNBW-UXHICEINSA-N 491.396 5.063 50 40 JKGB CCOc1c(Br)cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1OC 409392752 RQPXLXRRSLDHOF-QQXSKIMKSA-N 467.363 5.139 50 40 JKGB CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2C)=C(C#N)[C@@H]1c1ccco1 2204315 LSGHYHPCJQMZLI-XMMPIXPASA-N 499.592 5.356 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(SC(F)F)cc3)c2C)c(C)c1 3186232 JIYBBJGTKVGJTL-DEDYPNTBSA-N 451.542 6.571 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 8997543 GWKUEQXLWLGKTE-QNGOZBTKSA-N 450.498 5.760 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)sc(C(=O)OC)c1C 9460748 SGYBRZLGGDAEGL-UVTDQMKNSA-N 498.542 5.028 50 40 JKGB COc1ccc(/C=N/NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1CSc1ccccn1 13756085 MXKHWPGAVXWWCT-JQAMDZJQSA-N 496.807 5.084 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl 16184391 FSEZNTXCNZYBRC-ZDLGFXPLSA-N 455.297 6.553 50 40 JKGB CCCCCCSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2OC)=C(C)N1 19805664 ZUCSLUDYUTXWAZ-QHCPKHFHSA-N 467.660 6.405 50 40 JKGB Cc1c(Br)c(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)c(C)n1-c1ccccc1 20243732 SPHGHHVNHOFNEZ-PTZPRWATSA-N 456.409 5.488 50 40 JKGB N#C/C(=C/C=C/c1ccccc1)c1nc(-c2cccs2)c(NC(=O)c2ccc(Cl)cc2)s1 27023382 UNLWQLZXUGFSHE-DURWOYGOSA-N 474.010 7.398 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(C)cc1 59245261 RVISECPYJKWRAK-LPYMAVHISA-N 460.961 6.480 50 40 JKGB COc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1Br 59418974 ADNHBTRMAGYQRR-IFRROFPPSA-N 480.971 5.291 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCc1ccc(Cl)c(Cl)c1 59534076 YPCZLVKDPRAPIE-RQZCQDPDSA-N 457.313 5.397 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(C(C)(C)C)cc3)c2C)cc1Br 107828281 ZCOJDVYBUVKGQD-LQKURTRISA-N 480.450 6.155 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1ccccc1 408541422 COCLPJYSJVORJN-JAIQZWGSSA-N 464.315 5.799 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2C#N)c(C#N)c1C 408547410 WLAFBRWGCFIZJO-WSDLNYQXSA-N 495.560 5.274 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 408609778 LKCZSRQBXBNSAU-RPPGKUMJSA-N 476.747 5.315 50 40 JKGB CCOC(=O)/C(C#N)=C\c1cc(I)c(OCc2ccccc2Cl)c(OC)c1 408724438 ABQHRIKWQPOIMN-NVNXTCNLSA-N 497.716 5.002 50 40 JKGB O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1 408727264 VMBFIJLNQIZRTE-STBIYBPSSA-N 460.493 5.185 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\C2=C(C)[C@@H](c3ccc(OCc4ccccc4)cc3)C(C)=C2)cc1 408746331 RUJQWEJENRLHLR-QMGPDGHTSA-N 476.576 6.723 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccccc2Br)cc1)C(=O)Nc1ccc2ccccc2c1 408766096 ZGUAGNSWDWCMBY-RCCKNPSSSA-N 497.348 6.367 50 40 JKGB O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1 408766580 VRXJGTAKPJRTIX-VUTHCHCSSA-N 480.545 5.525 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Br)cc1 408781777 DNWKAGYTRXABOE-YBEGLDIGSA-N 489.200 6.709 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)NCCc2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 408807279 GUZPJWPBCHQYII-PXLXIMEGSA-N 488.418 6.571 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 408818263 PGUPVUQOCUTHFH-KVSWJAHQSA-N 470.331 5.665 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1cccc(I)c1 408878564 AODBRIUETYTCQC-LDADJPATSA-N 498.295 5.555 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1Cc1cc(C)cc(C)c1 408880998 LBMLDXRXPRPUCH-WSDLNYQXSA-N 489.413 6.519 50 40 JKGB COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2)cc1 408887367 QDLQZWUKXHJSQW-GZTJUZNOSA-N 477.860 5.022 50 40 JKGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408891262 NRZZJMKMSSFIAI-RPPGKUMJSA-N 463.748 5.755 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1ccc(Br)cc1 408893187 FZOJMBWEWBWVHA-VULFUBBASA-N 483.362 5.118 50 40 JKGB O=C(N/N=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)c1cc2ccccc2o1 408934060 CLRYZNLINBCMPE-MWLSYYOVSA-N 454.913 6.582 50 40 JKGB COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc(Cl)c1OCc1ccc(Cl)cc1 408947201 AUYZXNRINVMXFC-NINHOHATSA-N 461.389 5.857 50 40 JKGB O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1)c1cc(-c2ccccc2)nc2ccccc12 409037950 UZGXZBYKDNBBBU-NTFVMDSBSA-N 478.464 5.540 50 40 JKGB CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1cccc(Cl)c1 409097296 NIIXZTIHXKPYRX-RUZDIDTESA-N 476.916 5.265 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 409130875 WXPPULUQGSZBSA-NRFANRHFSA-N 457.288 5.635 50 40 JKGB CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)ccc1OC 409309850 NGRXTAVKDVPENF-NTFVMDSBSA-N 482.964 5.489 50 40 JKGB COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1OC 409310954 XMPGGDURHGSDAB-WKIKZPBSSA-N 489.355 5.362 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2)cc(Br)c1OCc1cccc2ccccc12 409363577 MJQYFZVJMIHRAM-IWIPYMOSSA-N 484.393 7.644 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1cccc2ccccc12 2156600 UAHARGUROYNPSE-OKCVXOCRSA-N 484.939 6.591 50 40 JKGB O=[N+]([O-])c1ccc(OC[C@H](Br)[C@H](Br)c2ccc(Br)cc2)cc1 3065354 HDPOHNJNCLBYNQ-LSDHHAIUSA-N 493.977 5.636 50 40 JKGB O=C(N/N=C/C1=C(Sc2nc3ccccc3s2)CCCC1)[C@@H]1COc2ccccc2O1 3191288 VIVVIFISLURYSM-BBMHEYIBSA-N 451.573 5.159 50 40 JKGB CC[C@H](C)c1ccc(OCCOc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2)cc1 8842888 BDBWELNLNSOULX-VKLJRCAFSA-N 495.417 6.184 50 40 JKGB N#C/C(=C\c1cccc(C(F)(F)F)c1)c1nc(-c2ccc(-c3ccc(Cl)cc3Cl)o2)cs1 12956602 BSRZXTFZUVYYHS-RIYZIHGNSA-N 491.321 8.460 50 40 JKGB O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 13899032 NGQCKEREOOKTES-NUGSKGIGSA-N 468.680 5.344 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2C)cc1 15980704 FTQSNLFPHBOYPX-WOJGMQOQSA-N 457.883 6.620 50 40 JKGB Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 20086109 NZQJSTUFKNVWFW-NRFANRHFSA-N 457.574 5.057 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 59117334 ZLPBYHBQDLRCFN-GHRIWEEISA-N 467.308 5.767 50 40 JKGB CCCCCc1ccc(C(=O)[C@@H](Br)[C@H](Br)c2ccc([N+](=O)[O-])cc2)cc1 98043375 WIVLDTPLWCVHAS-MOPGFXCFSA-N 483.200 6.410 50 40 JKGB Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1 107813136 KDGCFNGOKAOHKP-MUFRIFMGSA-N 495.560 6.614 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1ccc(F)cc1 108137779 KZFHGWBYGOBOLK-WQRHYEAKSA-N 470.313 6.769 50 40 JKGB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3CC[C@H]2C2(CBr)OCCO2)C1 253617441 MSDUUFXAHQPGOH-SURIVQAISA-N 481.471 5.635 50 40 JKGB Cc1ccc(Cn2cc(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)c3ccccc32)cc1 408526427 BYBZFHZEMVECCK-XAZZYMPDSA-N 464.491 5.579 50 40 JKGB C=CCOc1c(I)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OC 408580378 PAAPAXBTAATEPV-NTUHNPAUSA-N 486.136 6.236 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1 408583870 XZJLDYYEEOOXRW-FYJGNVAPSA-N 464.359 6.500 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccccc1Cl 408745445 SHLAIVKYLKMGDG-ODLFYWEKSA-N 467.352 6.435 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)cc1 408746538 ZWLZZTOTUYCIMH-LCYFTJDESA-N 472.284 6.106 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 408747046 YJSYETNPYXGJAL-SXGWCWSVSA-N 475.734 6.911 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 408792915 MKPIVZHESZTTMX-UDWIEESQSA-N 461.905 5.935 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1Cl 408814906 IAECRUMEKROGBR-ACCUITESSA-N 488.302 6.191 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OCc1ccc(C)cc1 408819824 UDRFHALZOXOVQB-MBTHVWNTSA-N 462.933 6.136 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1Cl 408828469 FAWMTSQVTWYQFH-LDADJPATSA-N 453.325 6.127 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 408876775 NPODLPGHRGAXOI-LICLKQGHSA-N 474.841 6.623 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1cc(C)cc(C)c1 408892778 CWSVIOGBTJTWEC-FSJBWODESA-N 474.988 6.707 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccccc2N2CCOCC2)cc1 408946708 PMEHDQRISASCJN-MWAVMZGNSA-N 464.569 5.053 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCc1cccc(C)c1 408972641 QEMIRNZOELWVJJ-LQKURTRISA-N 458.514 5.491 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3)c2)cc1C 409010761 LAKCNBYFNCIKBJ-FDAWAROLSA-N 494.595 5.492 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409045658 GUGGNLFYBBMZAC-WOJGMQOQSA-N 472.932 5.615 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1cccc(C)c1 409235232 OGKRUNHBTNAUSA-VYYCAZPPSA-N 485.353 5.177 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)c1 409254904 YHWXYYKYWPBNBX-XDHOZWIPSA-N 494.378 6.173 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2Cl)c(C)c1 409266316 QQOPSXQSTQKCCN-ODLFYWEKSA-N 494.378 6.173 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1OC 409310726 COLPXPBTWWXILA-RHANQZHGSA-N 496.991 5.879 50 40 JKGB CCO[Si](CCCCCCCCCCCP(=O)(OCC)OCC)(OCC)OCC 627274948 QMMCZAXRBQTWKJ-UHFFFAOYSA-N 454.661 6.812 50 40 JKGB COc1cc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1cccc(F)c1 716161 JYHVMBPVCLDVEK-SQJMNOBHSA-N 454.505 5.007 50 40 JKGB CCn1c(SCC(=O)N/N=C/C=C/c2ccccc2OC)nnc1-c1ccc(C(C)(C)C)cc1 1799697 WIBSESWUTKAPHS-JWBNACTCSA-N 477.634 5.179 50 40 JKGB CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccc(OC)c(Br)c3)ccc21 2134183 AQGVQGJSWIECKT-AFUMVMLFSA-N 450.336 5.349 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCc1ccccc1F 2159717 HAJBHRNNOZQKST-KBVAKVRCSA-N 482.511 6.467 50 40 JKGB N#CC1=C(N)OC2=C(CCC/C2=C\c2cccc(Br)c2)[C@@H]1c1cccc(Br)c1 3663039 GFXFWHBCSPOBRV-DCINASHKSA-N 498.218 6.541 50 40 JKGB CCN(CC)c1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(O)c1 8843352 XHMYNNBJTCHJMN-COEJQBHMSA-N 466.585 5.768 50 40 JKGB CO[C@@H](C(=O)N/N=C/c1c(Br)c(C)n(-c2c(C)cccc2C)c1C)c1ccccc1 20243807 GKWFLXKUEMLGET-SIBVSACJSA-N 468.395 5.311 50 40 JKGB N#C/C(=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1O 34847559 KXRBXEGPKLORHP-GDNBJRDFSA-N 484.295 5.732 50 40 JKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 57294231 CTFMEBWEZQKOOF-PPFNPFNJSA-N 498.630 6.079 50 40 JKGB Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1C 58912756 MIKQBGGOPXERPN-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c(C)c1 59201904 OTWBUNAXRFXZIX-DEDYPNTBSA-N 451.353 6.735 50 40 JKGB O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCCCCCC1 59443793 BXCAMDZKPBEDFD-UHFFFAOYSA-N 473.639 5.247 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1Oc1ccccc1[N+](=O)[O-] 59475434 JIQJAYGGBDHEDJ-WYMPLXKRSA-N 460.273 5.466 50 40 JKGB CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1 83301373 LRAGGMLWAOTKFX-AKLYFZKISA-N 494.563 5.166 50 40 JKGB Cc1sc2nc(/C(C#N)=C\c3cn(Cc4ccccc4)nc3-c3cccnc3)nc(O)c2c1C 96669609 MQUCOTNZUYQURE-JAIQZWGSSA-N 464.554 5.385 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(Cl)cc1 408543513 RNBULXZBMCYQFY-NDENLUEZSA-N 476.916 5.562 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)c1nc2ccc(F)cc2[nH]1 408567956 QVYXIGACBUVTMG-NDENLUEZSA-N 498.355 7.261 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1 408743310 FQIJVVXBRWNKPV-UNOMPAQXSA-N 465.322 6.021 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 408745931 AZJBUKLJKADTNS-JAIQZWGSSA-N 467.352 5.804 50 40 JKGB COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)c1C 408759102 XVEVXLWPDZDIMJ-UNOMPAQXSA-N 492.373 5.497 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccccc1Cl 408796117 OCJCUNBSJMBPSF-LICLKQGHSA-N 487.770 6.780 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408813748 OUYYOXMTSWDHCK-LICLKQGHSA-N 478.848 5.281 50 40 JKGB CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1C 408850431 ACENHUSQDLHNNO-WGARJPEWSA-N 464.363 5.929 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(Cc2cc(C)cc(C)c2)c1 408867707 LOJAPENQVWYTSW-HYARGMPZSA-N 475.386 6.211 50 40 JKGB C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 408873115 NAPQKPVUAFZODR-VHHOLKEFSA-N 454.401 6.273 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccccc2F)cc1 408900255 UNCLVLMZHPNFSB-KGENOOAVSA-N 474.488 5.136 50 40 JKGB N#C/C(=C/c1cc(Br)c(Br)o1)C(=O)Nc1ccc(Br)cc1 408954220 RXUQOSMYCFXVOS-YVMONPNESA-N 474.934 5.113 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1 408962557 ZBQOVEVTGGIIPK-YKQZZPSBSA-N 480.520 5.160 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCc1ccccc1Cl 408971762 KVZIJHLMTQHICN-MZJWZYIUSA-N 464.905 5.446 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)c1C 409044038 AOLYYSJOHBTNQD-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB COc1cc(C(=O)N/N=C\c2cccc(OCc3cccc(F)c3)c2)ccc1OCc1ccccc1 409310144 QZTNMVASQZNJAX-MNBJERMJSA-N 484.527 5.756 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)c3cccc4ccccc34)cc2)cc1[N+](=O)[O-] 409312414 LPOGYKVBVHFHQB-RCCKNPSSSA-N 470.506 5.888 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc(Cl)c2)cc1OC 409312460 LGYNHDFDHBGGMG-YUMHPJSZSA-N 450.922 5.256 50 40 JKGB COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 409365184 QEWFUVGIVQPBJU-UVHMKAGCSA-N 458.345 5.143 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 654755 RWUKBJMPVNWTNA-JOCHJYFZSA-N 479.920 5.278 50 40 JKGB O=C1Oc2ccc([N+](=O)[O-])cc2[C@@H]2c3sc(=O)n(-c4ccccc4)c3S[C@@H](c3ccccc3)[C@H]12 1470539 INXHNHDHJSVIEL-HBMCJLEFSA-N 488.546 5.321 50 40 JKGB COc1ccc([C@@H](Nc2ccc3c(c2)OCO3)P(=O)(c2ccccc2)c2ccccc2)cc1 2163342 AUIHVYIYFHYOMV-MHZLTWQESA-N 457.466 5.549 50 40 JKGB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cl)cc1 2805950 HUVYHEDLTFIQSO-XMHGGMMESA-N 465.962 5.303 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)ccc1OCc1ccc(F)cc1 3231415 OWVLZHVXKZSNAM-LDADJPATSA-N 470.422 5.978 50 40 JKGB CCOC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3cccs3)C3=C2CCCC3=O)sc2c1CCCCC2 3666369 NVCKZLGIMMONLV-NRFANRHFSA-N 493.654 5.560 50 40 JKGB Cc1ccc(OCCOc2ccc(Cl)cc2/C=C(/C#N)c2ccc(Cl)cc2Cl)cc1 4196611 DDSLHWJTONHAOD-PDGQHHTCSA-N 458.772 7.477 50 40 JKGB C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 8742350 ZUJZTWMLRLGWNV-LITAXMHPSA-N 491.183 5.021 50 40 JKGB CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc(CSc2ccc(Cl)cc2)cs1 8815943 RQDAMGIORBLYQS-FQEVSTJZSA-N 457.020 6.145 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c1C 9203634 YAINILLCOZAKQB-DHRITJCHSA-N 474.786 5.211 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)c1ccco1 9271816 CDVKYMHLJVZNOU-TURZUDJPSA-N 487.629 5.766 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1cc(Cl)ccc1O 9291036 PASBRVDWDUCHKS-QFIPXVFZSA-N 470.916 5.233 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1ccccc1I 12555922 MJXKJMXTQJPNPK-QGOAFFKASA-N 498.295 5.555 50 40 JKGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1cccc(N/N=C/c2ccccc2C(F)(F)F)c1 12564460 DNRQPFAKFGKXFE-HNZHSOEWSA-N 478.396 5.934 50 40 JKGB Cc1cccc(C2=Nc3ccccc3/C2=N\NC(=O)C(O)(c2cccc(C)c2)c2cccc(C)c2)c1 13802118 UVVODEFCJYKTJR-XPXRSFDGSA-N 473.576 5.503 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Br)cc1)c1ccccc1Cl 59488256 SCLPTEFSOFHOHS-ZMOGYAJESA-N 456.727 5.119 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccccc1Cl 408747167 JWPUVLJPRKELBH-ATVHPVEESA-N 454.755 6.056 50 40 JKGB O=C(N/N=C/c1ccccc1OS(=O)(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1 408762898 LRHSDUPATOHTNE-WGOQTCKBSA-N 464.930 5.025 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1 408797673 SLJBJWBWVAYZHB-RGVLZGJSSA-N 481.379 6.744 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)c(Br)c2)c1 408814796 SGOZELPZOLXMHZ-YDZHTSKRSA-N 489.413 6.807 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 408874867 BPWKKKDEWJIASQ-HAVVHWLPSA-N 466.968 7.180 50 40 JKGB COc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)c2)cc1 408926602 XDFAZQGBLKAHPR-LTGZKZEYSA-N 484.533 5.162 50 40 JKGB Cc1cc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408947648 QPRKXLUJFOWBJV-WQRHYEAKSA-N 482.931 5.150 50 40 JKGB CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1C 408962203 XGYQHWVBYSOEIT-AJBULDERSA-N 465.597 5.351 50 40 JKGB Cc1cc(/C=N\NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(Cl)c(Cl)c1 408994845 HCNZAWOVHYLZFT-GATIEOLUSA-N 450.753 5.583 50 40 JKGB C=CCOc1c(Br)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OC 409013615 CDDOKFZAVUJBPZ-KSEXSDGBSA-N 463.715 5.186 50 40 JKGB Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(C)cc3Cl)cc2Br)cc1 409053828 QOYVWHFHQVLOQN-LGJNPRDNSA-N 471.782 6.062 50 40 JKGB Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2Cl)cc1 409273640 ZQTQIKXGBAVFNO-PPDIBHTLSA-N 490.774 5.737 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)cc1OCC 409315312 UWFYWFXZQMSWKE-MWLSYYOVSA-N 499.394 6.300 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)c1cccc(F)c1 409390396 FFFZBHJZYGMYEF-UWVJOHFNSA-N 467.725 6.756 50 40 JKGB CCCCc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3cccc(Br)c3)c2C)cc1 2053896 YHJBTWMRSMBTOW-JVWAILMASA-N 482.422 5.728 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)sc(C(C)=O)c1C 2403958 OOYJBMBJJCWJMZ-BOPFTXTBSA-N 465.600 6.153 50 40 JKGB CCc1cccc(C)c1N/C(SCc1ccc(C)cc1C)=C(/C#N)S(=O)(=O)c1ccccc1 2689745 GJWALYINMJEPBL-IMVLJIQESA-N 476.667 6.686 50 40 JKGB O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C1c2ccccc2-c2ccccc21 3084924 SCJZFADRHAJKHK-MZJWZYIUSA-N 457.873 5.771 50 40 JKGB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccncc2)C(C#N)=C(SCc2ccccc2)N1 6077282 XEHRLOLUHQKSPZ-DEOSSOPVSA-N 473.001 6.003 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)C(C#N)=C(SCc2ccccc2Cl)N1 8836713 KMGQGIJRUCYLMT-QHCPKHFHSA-N 478.042 6.670 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 10475930 BKAUOQUCBMLOSL-CCVNUDIWSA-N 491.802 6.317 50 40 JKGB N#CC1=C(N)O[C@@H]2[C@@H](C(C(F)(F)F)=NN2c2ccccc2)[C@H]1c1c(Cl)cccc1Cl 16488817 XAOMVATWJGHFGS-IDHHARJASA-N 453.251 5.182 50 40 JKGB COc1ccccc1/C=C/C=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 19800147 OPZJFZATTYBYAA-BHFAATOSSA-N 483.597 5.159 50 40 JKGB CC(C)/C(=N\NC(=O)CCCCCCC(=O)N/N=C(/c1ccccc1)C(C)C)c1ccccc1 20468301 SEHLJKWPIQPACF-WWQQVGJXSA-N 462.638 5.680 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1 59116890 AXAFWHKMAOTAQR-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 59447377 AQJKZDTUSYUFER-RPPGKUMJSA-N 463.748 5.755 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccc(Cl)c(Cl)c1 107663457 ATANBASLFHORPN-UVHMKAGCSA-N 486.355 5.303 50 40 JKGB CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OCC 408725181 JSUWYEHKIWXDSE-WJDWOHSUSA-N 476.314 5.024 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)cc(Br)c2O)c(Cl)c1 408742294 VVGQSGMJZNJDTC-YSURURNPSA-N 481.177 5.633 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c1 408744517 FSNIPDAYBDMJCD-ZDLGFXPLSA-N 485.342 6.656 50 40 JKGB CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(Br)cc2)cc(C(C)(C)C)c1O 408752695 JKVJPSDBPSCLQF-CVKSISIWSA-N 459.428 5.833 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(C)c(C)c1 408805049 CSOPZJAEFLVLSP-ZMOGYAJESA-N 489.015 7.097 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OCc1ccccc1 408805503 KUTADURLTOIAMS-ZFJBLLOBSA-N 491.385 5.821 50 40 JKGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl 408835418 XJPWJWYLSMZZLH-XSFVSMFZSA-N 477.347 6.130 50 40 JKGB O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)N/N=C/c1cccc2ccccc12 408856427 HCLMWPXCPPZCSH-OPEKNORGSA-N 487.368 5.351 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1Cl)C(=O)Nc1ccc(O)cc1 408876753 NGQUYLNJIGCJFP-LDADJPATSA-N 467.750 5.945 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1OCc1ccc(Cl)cc1 408877096 PRSCUQYNSRLJSI-FYJGNVAPSA-N 495.406 7.079 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1Br)C(=O)Nc1ccccc1Cl 408885825 BKMNDCSNLPPBSI-QGOAFFKASA-N 467.750 6.227 50 40 JKGB CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 408954030 QYUGRQQKVBKZKS-YLRSXTQRSA-N 451.954 5.273 50 40 JKGB Cc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1cccc(Cl)c1 408978646 JOMBIEIRURGIIC-IEDNCLQISA-N 499.014 5.759 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 408995091 IUKIEBQWCAZRPL-VEILYXNESA-N 484.581 5.846 50 40 JKGB N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)OCO3 409099892 MQSQKIPVRUFROY-QFIPXVFZSA-N 485.298 5.658 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2)cc1OC 409336253 REJBRZYNTBEWGK-YUMHPJSZSA-N 450.922 5.256 50 40 JKGB COC(=O)c1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)c3ccccc32)o1 409390744 GUNRJNJZDBGJDI-UYRXBGFRSA-N 453.498 5.232 50 40 JKGB O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2ccc(F)cc2c1-c1ccccc1)c1ccccc1 409396447 YLDCJGZIISHTCN-UHFFFAOYSA-N 477.495 5.957 50 40 JKGB COc1ccc(-c2csc(N(NC(=O)Nc3ccc(C)cc3)C(=O)Nc3ccccc3)n2)cc1 1415245 WWJOFWJAPCFHAO-UHFFFAOYSA-N 473.558 5.902 50 40 JKGB O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(OC(F)(F)[C@@H](F)Cl)cc1 1795234 DSZQXKIFWWHAOJ-WMLDXEAASA-N 498.832 5.653 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc([C@H](C)CC)cc3)nc3ccccc23)cc1OC 2109528 MESOEDSAZCWLQC-MAZFOTSLSA-N 495.623 6.977 50 40 JKGB O=C1/C(=C/c2ccc3c(c2)CCN3CCCCl)C(O)=NC(=S)N1c1ccc(Cl)cc1 2555133 QGBPTWHLOMYLKP-QGOAFFKASA-N 460.386 5.003 50 40 JKGB Cc1cc(=O)oc2cc(N/C=C(\C#N)c3nc(-c4cccc(Br)c4)cs3)ccc12 8837783 LNDXENMANOYEKG-RVDMUPIBSA-N 464.344 5.964 50 40 JKGB CCCCCCOc1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)OCC)cc2OC)cc1 13881207 CJELKVNYVHUYCM-RELWKKBWSA-N 467.562 5.582 50 40 JKGB CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCCOc2ccc(C)c(C)c2)c(OC)c1 13881215 PHSDQELSKODSRW-WOJGMQOQSA-N 474.351 5.002 50 40 JKGB N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)NC[C@@H]1CCCO1 19877188 VKVLUHUEMZZPIV-OXRZLYTFSA-N 454.357 5.199 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1cccc(C(=O)OC(C)C)c1 20760557 DUHLWULQQKANQS-VULFUBBASA-N 482.378 5.186 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3cccc4ccccc34)c3ccccc23)cc1 20765054 BYEXTFINRYFLEA-ZCTHSVRISA-N 461.565 6.314 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 58912998 DJJRRNPFFPRNSV-OPEKNORGSA-N 463.752 5.143 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 59254476 FUKVYALQAYOKGA-LDADJPATSA-N 456.851 6.483 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 107875300 SQIGHVGGPVPIKP-LSCVHKIXSA-N 469.280 6.243 50 40 JKGB CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(C)C)CO[P@@](C)(=O)F 299817376 ZLEFMXNNQCABDB-MDMMNONOSA-N 478.626 8.170 50 40 JKGB in-vitro N#C/C(=C/c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12)c1nc2ccc(F)cc2[nH]1 408570965 ZVZIDTTZHNGBFV-MOSHPQCFSA-N 463.468 6.197 50 40 JKGB CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)cc(I)c1OCC 408691677 LGLOPAMOXLUSCK-SXGWCWSVSA-N 473.314 5.045 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(F)cc1 408734105 DBINEFGIELEGRC-XDHOZWIPSA-N 450.897 5.921 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1 408744832 HQNRTCABGMPXCT-NVMNQCDNSA-N 482.754 6.643 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1 408746370 SEJMWMWJGHFKOL-WQRHYEAKSA-N 454.357 6.345 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccco2)cc(Br)c1OCc1cccc2ccccc12 408764827 NIRKHXXKSJYRQX-JFLMPSFJSA-N 493.357 5.937 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccccc1C#N 408796663 PNAQKPFDBWXGPZ-RGVLZGJSSA-N 492.362 6.388 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(I)cc2)o1)C(=O)Nc1ccccc1F 408811343 LDUQSXKPBHDAEZ-KAMYIIQDSA-N 458.230 5.236 50 40 JKGB N#C/C(=C\c1ccccc1Cc1cccc(F)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408871424 ZMNHJXBVSROEOY-LGUFXXKBSA-N 462.524 6.541 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1ccccc1F 408872187 ASYNTTFQEJBPIX-CXUHLZMHSA-N 475.734 6.911 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Cl)c1)C(=O)Nc1ccccc1Cl 408875714 HARFMSNMCCZGNL-WOJGMQOQSA-N 486.196 6.892 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)ccc1OCc1ccc(F)cc1 408881525 LOQREWBLYBGKLM-LDADJPATSA-N 485.342 6.656 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2Cl)cc1 408961698 DLAFKJVISJOSQD-XKJRVUDJSA-N 481.301 6.664 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2Br)c1C 409002943 XKCNPNIVCSUPPH-AQTBWJFISA-N 450.336 5.411 50 40 JKGB COc1cc(Br)cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OC 409035120 IZDAMJJCUOYMCX-JFLMPSFJSA-N 490.357 5.445 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12)C(=O)Nc1ccc(F)cc1 409043504 RFZRWFHCIDNDQB-UDWIEESQSA-N 491.349 7.410 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1ccc(F)cc1 409043739 AFRZCAIGVWCBDT-CXUHLZMHSA-N 459.279 6.396 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc2ccccc2c1 409215264 WIYSMPXQDHXRFD-OYKKKHCWSA-N 484.939 7.443 50 40 JKGB CCc1ccc(CC(=O)N/N=C\c2cccc(OCc3ccc(Br)cc3)c2)cc1 409365004 RZZOTEOGUFQVCN-QQXSKIMKSA-N 451.364 5.283 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 939453 WGHSKSOJKPQSDN-XNTDXEJSSA-N 498.366 6.985 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)c1 1175059 JQBOBZMMIGTBHK-LICLKQGHSA-N 484.781 6.064 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 1916048 XRWMIMBJWCJEMO-LQKURTRISA-N 483.618 6.271 50 40 JKGB Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1 2561855 ICZFTTBSAMBDJN-FYJGNVAPSA-N 470.959 6.046 50 40 JKGB Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 8722099 FWEXWFNWNFXVAW-MZJWZYIUSA-N 474.904 5.969 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1 9311072 SXJCUVURJAHEKK-JVWAILMASA-N 455.518 5.174 50 40 JKGB N#CC(/C(O)=N/c1ccccc1)=C1/S[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 9909884 JXNAROPEQRYAJU-CKVBZJJFSA-N 488.500 5.448 50 40 JKGB COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)c1ccc3ccccc3c1)oc1ccccc12 12629345 UWUCGEGWQPWRBP-OCSSWDANSA-N 465.509 5.882 50 40 JKGB CC(C)OC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1 17113489 AQOPJJBHGQSTQD-SFQUDFHCSA-N 468.376 6.114 50 40 JKGB O=C(N/N=C\c1ccc(Cl)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 33352331 VPMXIJNTAVFBRK-QXPFVDMISA-N 475.979 7.229 50 40 JKGB O=C(N/N=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2cccc3ccccc23)cc1)c1cccnc1 34863820 WAPZXPYHUXWSQN-ARBWBAARSA-N 495.586 6.354 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Cl)c1OCc1cccc2ccccc12 59536577 FBEZKDGJDTWJTE-WKULSOCRSA-N 479.363 6.498 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1c2ccccc2Oc2ccccc21 71335808 ZGSSIZRYPIWOGK-MZJWZYIUSA-N 473.872 5.896 50 40 JKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1 98001495 MWYDEEMLIASCNH-VFCFBJKWSA-N 470.610 5.996 50 40 JKGB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)[C@@H](Br)C2=O 103112316 NGZWVRXNRXLQKS-WUMKDDEVSA-N 488.809 5.668 50 40 JKGB C[C@H](Sc1nnc(-c2sc3ccccc3c2Cl)o1)C(=O)/C(C#N)=C1/Nc2ccccc2S1 104805079 SRNKQBPWARYXKY-LZZRXTTCSA-N 497.026 6.607 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cc(Cl)ccc1Cl 209384990 YZHQBKIJNZRUKA-GHXNOFRVSA-N 452.124 7.106 50 40 JKGB Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Br)c3)c2C)cc1 408529994 KRIKIFIBGABHNY-LGJNPRDNSA-N 453.384 5.036 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 408530725 MPCCCXUARWGKQC-VPUKRXIYSA-N 455.358 5.546 50 40 JKGB CCCCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1 408538614 AMQCFUDTPCWLDZ-XYGWBWBKSA-N 465.819 6.606 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 408579868 KVROSEDKKDBQAA-UDWIEESQSA-N 453.947 5.797 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 408760836 AETADRYFZCSIIM-RCCKNPSSSA-N 476.554 5.016 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)NCCc2ccccc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408803042 KQDPTLQHOBXNPI-HAVVHWLPSA-N 464.525 5.172 50 40 JKGB Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 408803578 QSGJXRVXNVMIGV-UGAAVYLDSA-N 456.546 5.508 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(N3CCCCC3)o2)cc1 408815922 VZNPQKNDUFPPTJ-BRPDVVIDSA-N 452.558 5.800 50 40 JKGB Cc1cccc(COc2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc2Br)c1 408848038 PBCYQNHUXPEVOM-WGARJPEWSA-N 463.331 5.847 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1C 408853307 NHVWBWPPQURUNR-UDWIEESQSA-N 479.349 6.330 50 40 JKGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 408859685 OZIGNPONGVFLLZ-KBVAKVRCSA-N 499.035 6.872 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2OC)cc1 408899190 NXRVIKSTPFPXKG-LDADJPATSA-N 462.889 5.122 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2ccccc2OCc2cccc(F)c2)ccc1Br 408904667 MUZFGHGIHOXSBH-MXAYSNPKSA-N 456.315 5.631 50 40 JKGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)c1 408945838 ODBNQKPZTOJOCP-WKULSOCRSA-N 488.975 5.617 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1Cl 408984947 UPKNUFSVEVJRDT-HMAPJEAMSA-N 477.391 7.155 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCC(=O)Nc1ccc(C)cc1 409005552 FDKFYESBVFEKJI-HYARGMPZSA-N 469.541 5.184 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1 409046677 LHKJBQUUJTYHDI-CIAFOILYSA-N 475.331 7.698 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OCC)c1OCc1ccccc1F 409068560 RXKHPLCSTRSSMZ-PCLIKHOPSA-N 484.571 6.694 50 40 JKGB CN1C(N)=C(C#N)[C@@H](c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C2=C1CCCC2=O 409136399 SUKBZGPMJKXFPY-OAQYLSRUSA-N 472.347 5.441 50 40 JKGB O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1ccccc1OCc1ccccc1 409183950 GRTJSXMYEDDGKU-UXHLAJHPSA-N 464.590 6.219 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cn(CC(=O)Nc4cccc(C)c4)c4ccccc34)cc2c1 409187491 RCRUPXKFRWHLAE-UHBFCERESA-N 494.551 5.497 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409256315 NORHADDHRJOGRM-YBFXNURJSA-N 477.904 5.647 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1OC 409315488 JNMRRCQUBWTLNO-DICXZTSXSA-N 468.937 5.099 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(Br)c2)cc1OC 409318357 VADPYEVJJCDYOM-YSMPRRRNSA-N 483.362 5.199 50 40 JKGB Cc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c(C)n1-c1cccc(Cl)c1Cl 409392026 NBOZKDLEQNRDPC-OCSSWDANSA-N 476.407 6.683 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Cl)c1OCc1ccccc1F 409393048 UTOJVXBDMGQZNY-ZDLGFXPLSA-N 477.923 6.406 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)cc1 1454286 IYAKFXYRYDNHCW-GHRIWEEISA-N 465.303 5.431 50 40 JKGB CO[C@H](c1ccc(OCc2ccccc2)cc1)[C@@H](Br)C(=O)c1ccc(Cl)cc1Cl 1572593 SQMFFXDPTHHVAD-JTHBVZDNSA-N 494.212 6.906 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1 1780991 RLDTWJRJERNRAY-FYJGNVAPSA-N 488.790 6.020 50 40 JKGB CC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 1787439 AQTFHECAECZFPS-LFIBNONCSA-N 492.354 5.858 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccco3)n2-c2ccc(Cl)cc2)cc1 1797539 XLWUIGIPXTVENN-FHSXHZEZSA-N 477.977 5.397 50 40 JKGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccc([N+](=O)[O-])cc1 1822935 MTDLFQJXYPBZFJ-FSJBWODESA-N 495.611 5.134 50 40 JKGB O=C(N/N=C/c1cccc(Br)c1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 2209244 LEDXXILBHUQUOY-DHRITJCHSA-N 478.173 5.142 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)cc1 2248883 OMHLQNJDCSEANO-XIEYBQDHSA-N 455.561 6.951 50 40 JKGB COc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1Cn1nnc2ccccc21 2400147 SMJPWYTXGXKEIY-LGJNPRDNSA-N 475.961 5.120 50 40 JKGB CC1(C)C[C@H]2C[C@](C)(CN2CN2C(=O)/C(=N\NC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)C1 2411304 ZERXVHMDNIWWAX-YUHAZSCHSA-N 499.442 5.332 50 40 JKGB O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccc(Br)cc2)CC1 8780703 ZOJMLWMPTAXFDT-WYMPLXKRSA-N 469.210 5.118 50 40 JKGB COc1cc2c(cc1N/C=C(\C#N)c1nc(-c3ccc([N+](=O)[O-])cc3)cs1)oc1ccccc12 9065451 CBKDRZKLBXMGHB-DTQAZKPQSA-N 468.494 6.603 50 40 JKGB C=CCCCCCCCCc1n[nH]c(SSc2n[nH]c(CCCCCCCCC=C)n2)n1 9075825 WQSRSEMGYKIEHO-UHFFFAOYSA-N 476.760 7.641 50 40 JKGB CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)cc1 9693143 UHNPVKPZUQWQRR-IBGZPJMESA-N 470.392 5.067 50 40 JKGB CC(C)(C)c1ccc(OCCn2cc(/C=C(\C#N)C(=O)NC3CCCCC3)c3ccccc32)cc1 15931730 TWISLXOGJIAHOP-ZBJSNUHESA-N 469.629 6.374 50 40 JKGB Cc1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)c(C)n1-c1ccc(Br)cc1 33507753 ITCYBGIQQOSQRE-MOSHPQCFSA-N 460.400 7.044 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccccc1 33660212 AECHTXZDHLZGKG-RDRPBHBLSA-N 454.526 5.590 50 40 JKGB CC(C)=CCC/C(C)=C/C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 33954143 BCPWMPCOEAOEDD-NQSCOFRMSA-N 481.416 6.082 50 40 JKGB in-vitro Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl 59101618 KAEZIDUPBBQXOM-KKMKTNMSSA-N 490.774 5.623 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1OCc1ccc(F)cc1 59281463 QNIDLZZDSNZQMY-LICLKQGHSA-N 481.867 5.521 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2Br)cc1 59335239 CUMHVILDPWPLBI-JAIQZWGSSA-N 495.804 6.844 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(Cl)cc1 59922481 DKAIDDAJLJQBFX-FDAWAROLSA-N 477.951 6.663 50 40 JKGB Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2ccc(N(CCCl)CCCl)cc2)cc1 104094097 BKVUZXTUYIVMKM-IMRQLAEWSA-N 490.456 5.830 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccccc2Cl)N=C2CCCC(O)=C2[C@@H]1c1ccccc1F 104142254 UCKMZFYGDMRULZ-JOCHJYFZSA-N 467.953 6.120 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1)c1ccc(C(=O)O)cc1 408543944 UADDUUNRPLEXAE-UKWGHVSLSA-N 493.744 6.316 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OCC 408581803 ZLTBGYPYMGXVQH-MHWRWJLKSA-N 461.153 5.686 50 40 JKGB CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)c2C)cc1 408756065 QRZFEBULCCALMR-QNGOZBTKSA-N 491.433 6.249 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 408756458 VIMTVFWMPOEYLO-LSHDLFTRSA-N 478.686 5.043 50 40 JKGB N#C/C(=C/c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)C(=O)NCc1ccccc1 408784963 XEAFVSUXNMDSJI-PGMHBOJBSA-N 472.013 6.310 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Br)cc3)cc2Cl)cc1 408792166 IYKFNLSIGKLWBY-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)C(=O)Nc1ccc(O)cc1 408793173 DJCVBLYBAWLAAO-CXUHLZMHSA-N 473.743 6.477 50 40 JKGB COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1 408794404 IFBIPESAMJKILB-CPNJWEJPSA-N 463.331 5.582 50 40 JKGB N#C/C(=C\c1c(OCc2cccc3ccccc23)ccc2ccccc12)C(=O)Nc1ccc(F)cc1 408852271 RIIPZQDJNSPUCY-HKOYGPOVSA-N 472.519 7.257 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(Cl)c(Cl)c1 408854308 CENIRWYWYOLGQE-FDVSRXAVSA-N 479.363 6.811 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccccc1Cl 408904199 GIEWPBUUFGMVCG-ZMFRSBBQSA-N 479.876 5.346 50 40 JKGB O=C(N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1ccc(Cl)cc1Cl 408922892 HLDBXKADXCOAAQ-VTNSRFBWSA-N 499.397 7.643 50 40 JKGB O=C(Oc1ccccc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccco1)c1ccc(Cl)cc1 409003844 VMRNIBYHYFPDES-LQKURTRISA-N 487.899 5.168 50 40 JKGB C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1nc2ccccc2o1 409049072 VVTCJPCAYHZURD-MDWZMJQESA-N 458.109 5.429 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12 409212545 QPORQPYMWUBKBV-ULJHMMPZSA-N 457.533 6.397 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)n1 409245842 ZSQJXISDWWAXHH-LSFURLLWSA-N 479.787 5.012 50 40 JKGB Cc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)c(C)n1-c1cccc(Cl)c1Cl 409393451 XLMHPTVETKYTCW-IPPBACCNSA-N 465.384 6.116 50 40 JKGB CC(=O)N(NC(=O)C(O)(c1ccc(C)cc1)c1ccc(C)cc1)[C@H](c1ccccc1)c1ccc(C)cc1 720626 OOOWHUPOIFNJCR-SSEXGKCCSA-N 492.619 5.517 50 40 JKGB O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1)[C@H](Cc1ccccc1)c1ccccc1 1719328 LPZGJRUEMWWVFF-WBDWPWCHSA-N 468.428 5.447 50 40 JKGB N#C/C(=C\Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1 1834999 VCJAQHAWVJPJRW-JLHYYAGUSA-N 484.415 5.820 50 40 JKGB COc1cc2c(cc1N/C=C(\C#N)c1nc(-c3ccc(C)cc3C)cs1)oc1ccccc12 9057839 HDMKGGUWAXGMQO-NBVRZTHBSA-N 451.551 7.312 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1cccc2ccccc12 9262404 LJXUTTJHMCPBDV-OEAKJJBVSA-N 482.967 6.935 50 40 JKGB CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3[nH]2)cc1 9461128 VNLDIWSKDGBGLG-FXBPSFAMSA-N 461.594 6.982 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cccc(Cl)c2C)=C(C#N)[C@@H]1c1ccco1 19901179 NVVQAMNHAJUTRS-JOCHJYFZSA-N 483.977 5.039 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C#N)cc3)c(OCC)c2)cc1 20197994 MQSLNLTYLVZXNR-RDRPBHBLSA-N 457.530 5.089 50 40 JKGB C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1 20352666 NBRYIYPFFHYTGT-NNSKLCRTSA-N 488.975 5.690 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccnc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 30750202 BXAYFIZVWMVXFZ-RHANQZHGSA-N 484.629 5.178 50 40 JKGB CCCOc1cc(Br)c(/C=N\NC(=O)c2ccc(Br)cc2)cc1OCC 33383745 XCSPXTCOSJYVJI-UUYOSTAYSA-N 484.188 5.163 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OCc1ccc(C(=O)O)cc1 33553041 ULSIGYNHFAYCQY-ODLFYWEKSA-N 496.332 6.328 50 40 JKGB COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(Br)cc1OCc1ccc(Cl)cc1 35328076 KDKCXMNKWDXJIS-NVMNQCDNSA-N 499.748 6.662 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 107748532 FSIOKMKWSYIHSF-HMAPJEAMSA-N 458.489 6.504 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccccc1Cl 207820789 MNCXWXANJPRWBV-UYRXBGFRSA-N 475.932 5.220 50 40 JKGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2[C@@H](C)CC1(C)C 223581497 OWNQCYHLGZGCTM-PMFHANACSA-N 456.417 6.960 50 40 JKGB COc1cc(/C=C(\C#N)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408553279 NLOQGCICRJOHAT-RQZCQDPDSA-N 487.770 6.737 50 40 JKGB O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(Sc2ccccc2)o1 408569833 QJSFOGBUIVWQMV-OEAKJJBVSA-N 456.614 5.439 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc4ccccc4c3)cc2)c1 408764486 UAQMRLFRKKWTNV-XQNSMLJCSA-N 468.534 5.462 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(I)c2)cc1 408792384 BDNGEZNUVBUQEM-DEDYPNTBSA-N 494.332 5.724 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1F 408792666 BVLPXDQPMFBGCI-CIAFOILYSA-N 478.951 6.619 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(OC)c1OCc1ccccc1C#N 408794523 JJQGWNIIIRZCGE-CVKSISIWSA-N 477.564 6.037 50 40 JKGB CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2ccccc2F)c1Cl 408808271 DTRJWADBMDCGGD-OPEKNORGSA-N 464.280 5.410 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccccc1F 408823615 OAHMFMIAVKYCJD-JLPGSUDCSA-N 456.517 5.365 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)cc2)c(OC)cc1Cl 408826075 SPTLMZYDXATTGY-WOJGMQOQSA-N 466.896 5.621 50 40 JKGB O=C(CSCc1ccccc1Br)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 408827566 KMKWOBQMIRURDT-SSDVNMTOSA-N 474.336 5.001 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc([N+](=O)[O-])c1O 408858549 QDIFIFDBCZWBGH-WOJGMQOQSA-N 493.903 5.477 50 40 JKGB COc1ccc(CSCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 408870266 VUFJYDJCIXXFIY-VULFUBBASA-N 454.979 5.311 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1Cc1ccccc1Br 408883486 PXVLFEFSOLFBJQ-LPYMAVHISA-N 475.386 6.211 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)cc2)cc1 408886208 FHADAHHIJSREGM-XMHGGMMESA-N 466.946 5.270 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1 408890847 HIWPRYKHUDPPOA-HAVVHWLPSA-N 450.513 6.666 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2F)cc1 408897746 SVQGBVCBQSKQMV-SFQUDFHCSA-N 470.909 5.101 50 40 JKGB COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1C 408963390 BMIUNTOBCIIIIC-BRJLIKDPSA-N 466.881 5.174 50 40 JKGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(Br)c1 409047728 MXHAWYYJDFITDD-OJQMYBKWSA-N 466.379 5.176 50 40 JKGB N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl 409069979 BVPIKRFZXKXWMW-DTQAZKPQSA-N 473.337 5.307 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1 409211049 MCHWTLCZFIOECH-UCQKPKSFSA-N 485.337 7.154 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1O[C@@H](C)CC 409237006 ULCPBMSSTHRXEU-SYHQVDNTSA-N 471.395 5.809 50 40 JKGB O=C(N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 409264817 QSTZKVBQMIGKIZ-UETRGQPKSA-N 482.367 5.076 50 40 JKGB C=CCc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OC)c1OCc1ccc(Cl)cc1Cl 409393811 SJPSUZRYFHSCNG-NHDPSOOVSA-N 468.355 7.513 50 40 JKGB COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1OC 636802 XUSXUFCBSVULSH-LGJNPRDNSA-N 460.361 5.111 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 959542 HNMCZOXHAXCTEP-CXUHLZMHSA-N 471.296 5.038 50 40 JKGB COc1cc(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(OC)c1OC 1804569 HSXLAEZKXMDPJY-JLHYYAGUSA-N 462.358 6.119 50 40 JKGB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 1815791 QAVWEFYBWSMWEX-STBIYBPSSA-N 465.944 5.813 50 40 JKGB CCCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc([C@@H](C)CC)cc3)nc3ccccc23)cc1 2109370 ORKMMMAVHJFRRW-BVHMBLIXSA-N 479.624 7.358 50 40 JKGB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1 2280837 OXNNXRAJRDPINE-XDHOZWIPSA-N 476.554 5.463 50 40 JKGB Clc1cc(Cl)c(Cl)c(SSc2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl 2555836 ZNTWBKFKQSOEPV-UHFFFAOYSA-N 493.906 9.713 50 40 JKGB O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)o1 2747641 ZLFYNJUBRYIVHX-ZZULHHKVSA-N 498.153 5.421 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 8812395 ZNHGHQZLDHRUPU-UVHMKAGCSA-N 461.320 5.874 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1)c1cccc(O)c1 9763160 FCYFJEHSIIAPAM-YUMHPJSZSA-N 460.921 5.169 50 40 JKGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 15018661 IABAEPXRNRCCJZ-KBVAKVRCSA-N 495.966 5.537 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)o1 16347939 CVORMQIDQNVCEW-ZROIWOOFSA-N 452.264 5.471 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)c2C)cc1 20197625 HQKDKXQGEUTLGL-NDZAJKAJSA-N 496.567 6.222 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C(C)C)cc2C(=O)OCC)cc1OC 20595655 SHAVLQQHGZWCQH-GZTJUZNOSA-N 456.564 5.391 50 40 JKGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2C)c1 28216136 SCGWOXZTKWOFGM-DHRITJCHSA-N 450.564 5.003 50 40 JKGB CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1OC 33733995 YOATWWRCSGNMHR-FLOSOGMCSA-N 453.970 5.697 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1ccc(C(=O)O)cc1 33734954 XVXRJEFPWQWERS-IDUWFGFVSA-N 493.173 7.642 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1 59272279 HRZDPEJQQQEJKY-KGENOOAVSA-N 461.359 6.136 50 40 JKGB C=CCOc1c(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC 59432678 MHQAZVASKIWDFZ-LICLKQGHSA-N 488.325 5.027 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 59536104 ZHAKAPUBVMWZCM-XDHOZWIPSA-N 450.897 6.002 50 40 JKGB C/C(=N\NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1cc(Cl)cc(Cl)c1O 102979764 KAKUMHFFOQXHID-XODNFHPESA-N 451.313 5.463 50 40 JKGB CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC 408537891 HTMFVGYLBKJONL-PXLXIMEGSA-N 499.449 6.420 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c1 408790792 YTZDRXOEOQKIHI-VXLYETTFSA-N 485.798 7.388 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(Cl)c1 408795661 MDTRLMAGDYPTLJ-RGVLZGJSSA-N 462.336 6.298 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408799433 ZBLQUNBNDCHJMW-RQZCQDPDSA-N 468.296 6.026 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1ccc(Cl)c(Cl)c1 408802367 DNWIXAHSFLCDEQ-PYEYENBVSA-N 487.427 6.573 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 408815423 JIKBVEVJIFLWND-CIAFOILYSA-N 495.406 7.134 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(OC)c1OCc1cccc(F)c1 408817351 XPIRFHGQBHJXPL-OYKKKHCWSA-N 486.543 5.374 50 40 JKGB Cc1cc(/C=N/NC(=O)Nc2ccc(Br)cc2)cc(C)c1OCc1ccc(Cl)cc1 408848299 TUDIZLXZDIBILR-LGJNPRDNSA-N 486.797 6.454 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1cccc2ccccc12 408856883 RRJKZSZBIUGWHK-FYJGNVAPSA-N 486.930 6.766 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC(=O)c1ccc(Cl)cc1 408891616 UBBYHPMYXCKEAO-WOJGMQOQSA-N 491.887 5.330 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408894529 JKYNOWKEZCJDPB-LICLKQGHSA-N 468.296 6.026 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 408921543 BCRGDRVVTVMQJB-QGOAFFKASA-N 461.861 5.322 50 40 JKGB CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C 409047532 OGFDTNWSXXNWDH-OVCLIPMQSA-N 478.184 5.773 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(OCc4ccccc4Cl)cc3)CC2=O)cc1C 409162911 JLQBSONNFIBPCS-HRMYGOSUSA-N 475.976 5.039 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1 409224178 JMQCIJLMWZKWGR-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Br)c1OCc1ccc(C)cc1 409235697 PUHWJHZBBHKXPQ-VYYCAZPPSA-N 485.353 5.177 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 409262676 INXBCGBTNGFQJL-MOSHPQCFSA-N 489.959 5.529 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1OC 409324884 VMVDPFSOMOHMEM-DICXZTSXSA-N 495.919 5.165 50 40 JKGB Cc1ccc(N2C(=O)[C@H](Cc3ccccc3Cl)S/C2=C(/C#N)C(=O)Nc2ccccc2)cc1 1887972 WIYKRNRJDWWRGI-HVBJHMBASA-N 473.985 5.713 50 40 JKGB C=CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)N/N=C/c1ccccc1Cl 2097858 VAJOIOQCNJKAIG-PBEVGHANSA-N 489.432 5.014 50 40 JKGB Cc1ccc(S(=O)(=O)Nc2cccc(CP(=O)(c3ccccc3)c3ccccc3)c2)cc1 2198712 VQCWCDQBASENKY-UHFFFAOYSA-N 461.523 5.310 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(F)cc2)c(Br)cc1OCc1ccc(Cl)cc1 2323339 LJSWBZJFMVSCBN-VCHYOVAHSA-N 472.741 6.893 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(OC)cc3)cs2)sc(C(C)=O)c1C 2438040 QMHLAXLBHGAONF-WJDWOHSUSA-N 467.572 5.545 50 40 JKGB COc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 3095202 QHRLDGUMGKNXDR-VULFUBBASA-N 464.930 5.546 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C(F)(F)F)cc2)cc1 3231395 SVEHOGGNMJENII-NBVRZTHBSA-N 466.415 5.479 50 40 JKGB CCOc1ccccc1C(=O)N/N=C/c1cccc(OCc2cccc(Br)c2)c1 3664208 KTLJMKHFBGHRTA-MFKUBSTISA-N 453.336 5.191 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1ccc(Br)cc1 9259717 JXPUGPRWDZGERN-UKTHLTGXSA-N 471.694 5.606 50 40 JKGB CCCCc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(OC)c4OC)CC(=O)N3C2)cc1 9693558 NFXNKFSOHBHCJB-NRFANRHFSA-N 463.603 5.266 50 40 JKGB C/C(=N/NC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccc2ccccc2c1 13617995 LALFOGLXYCIJOD-JLPGSUDCSA-N 464.641 5.616 50 40 JKGB O=C1N/C(=N\c2ccccc2Cl)S[C@@]1(Br)[C@H](Br)c1ccccc1 16477258 XPMFDKJJRUWEEV-CJNGLKHVSA-N 474.605 5.418 50 40 JKGB COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1OCc1ccccc1 16943842 JCAORHOZUDKKQG-YBFXNURJSA-N 493.415 7.769 50 40 JKGB COc1ccc(-c2cc(NC(=O)CCl)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 16956865 JPQFTAHNQDTZQC-UHFFFAOYSA-N 459.358 5.502 50 40 JKGB CCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(SC)cc2)/C(=C/c2ccc(SC)cc2)C1 19816626 PVCDLYMFCPBXAU-KGEPOTPBSA-N 461.656 5.611 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 19877181 GIBYQTPGQQETIT-UDWIEESQSA-N 481.379 6.825 50 40 JKGB O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCCCCCC1 19950442 MIUVIQUOFRKFMB-UHFFFAOYSA-N 487.641 5.798 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2sc3c(c2C(=O)O)CCCC3)c1C 33556443 KXJUAFPSKSSXNH-WQRHYEAKSA-N 494.016 6.240 50 40 JKGB COc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)ccc1OCCOc1cccc(C)c1 41108892 IHBZQIJKISKEHM-HMMYKYKNSA-N 485.565 6.266 50 40 JKGB N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1cccc(Cl)c1Cl 59117323 MTGJITGMVURDHC-GZTJUZNOSA-N 457.744 6.771 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1 59245276 BIKWUMQVWBEPDI-WOJGMQOQSA-N 478.302 5.482 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59678223 GONUIVPZIYMRCP-RWPZCVJISA-N 459.933 5.292 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)cc1 96476733 DBCKPQBBOVNOLH-NVMPUMLXSA-N 469.588 7.192 50 40 JKGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 98087168 BMNIGCHLCRTFRF-CZENXMHPSA-N 486.366 5.213 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc(F)c1)c1ccc(C(=O)O)cc1 107789186 KPWCIJZWSDUFOO-ODLFYWEKSA-N 452.279 5.930 50 40 JKGB C=C(/C(C#N)=C/c1ccc(OC)cc1)N(Cc1ccc(Cl)cc1Cl)c1ccccc1N 109166265 AHPIHHXASDVPCF-DEDYPNTBSA-N 450.369 6.712 50 40 JKGB Cc1cc(C)c([C@@H]2[C@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)c(C)c1CCl 254484522 DRMNCDXWRFSVIO-QVKOCQLISA-N 492.022 6.761 50 40 JKGB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N2C(=N1)SC(C#N)=C2N 408606246 PITPICCRILRAFJ-HXUWFJFHSA-N 468.966 5.328 50 40 JKGB N#C/C(=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)ccc1Cl 408761715 GXXAKVMQVIUXQS-PTNGSMBKSA-N 482.279 5.666 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(-c2ccccc2)n1-c1ccccc1 408770711 BCLFGADXKNDBQB-QNGOZBTKSA-N 472.375 7.305 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OCC)c1OCc1ccc(Cl)cc1 408787510 BBUIAIGCKGURSB-PXLXIMEGSA-N 488.971 6.297 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccccc1Cl 408805853 LUYCALAYJXOCSQ-KGENOOAVSA-N 473.359 7.271 50 40 JKGB CCOc1ccc(NC(=O)N/N=C/c2cc(C)c(OCc3ccc(Cl)cc3)c(C)c2)cc1 408859055 VSBRGIWPUNUAKO-JFLMPSFJSA-N 451.954 6.090 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Br)cc1)C(=O)Nc1ccccc1Cl 408865156 BJPXNYMOPXLHFR-XMHGGMMESA-N 451.751 6.239 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Cc2ccccc2Br)c1 408869765 QVVNEZLBFHYXRP-YBFXNURJSA-N 481.777 6.248 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)c(OC)c1 408877861 VANNPLKQZBNTPS-FYJGNVAPSA-N 462.933 5.160 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1)C(=O)Nc1ccccc1F 408879904 HQJUTESQDHMHSZ-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1OCc1ccc(Cl)c(Cl)c1 408884514 UITPXQZIIQIRFV-LUOAPIJWSA-N 498.193 6.652 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Cl)c1 408892823 DDBSXMURAWFHNY-UDWIEESQSA-N 451.353 6.735 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)cc2)cc1 408894572 RGSHCPDZBPHARS-GHRIWEEISA-N 467.308 5.767 50 40 JKGB N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl 408923928 LFWIYOJEAZPBTD-FOWTUZBSSA-N 471.727 6.412 50 40 JKGB N#C/C(=C/c1cc(Br)c(Br)o1)C(=O)Nc1cccc(Br)c1 408954184 RSUCIJSMISUCAG-YWEYNIOJSA-N 474.934 5.113 50 40 JKGB O=C(N/N=C/c1cc(Br)c(Sc2ccccc2)o1)c1ccc2ccccc2c1 409002229 MLCIKVDBVXCXIH-ZVHZXABRSA-N 451.345 6.110 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OS(=O)(=O)c1ccccc1 409064615 IBXYYHDJBYKRMJ-XDHOZWIPSA-N 496.972 5.279 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccccc4C#N)c(OC)c3)cc2c1 409186743 HIMVMNZJQAHLCB-MWLSYYOVSA-N 469.497 5.055 50 40 JKGB O=C(Oc1c(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 409225396 QDTJLZZPLOTJAQ-GATIEOLUSA-N 492.702 5.538 50 40 JKGB O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cccc(Br)c1 409245250 PRQOIXSKYUWTJT-WGARJPEWSA-N 450.311 5.355 50 40 JKGB COc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3C)=C2C#N)cc1Cl 409302616 JTJJHFTXMVFEFD-AWEZNQCLSA-N 476.385 5.021 50 40 JKGB Cc1cccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)c1 409366122 SQZVWISVALZTFU-LQKURTRISA-N 473.370 6.254 50 40 JKGB Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)[C@H](Cl)[C@H]4Cl)cc2)c(C)c1 801487 URCMITFKECEGNF-VXKWHMMOSA-N 489.424 6.238 50 40 JKGB N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1cc(Br)ccc1F 850012 OPLOKHAAZLNJTH-OAHLLOKOSA-N 479.231 5.011 50 40 JKGB Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 3036766 GEJIPCVBTXJFAV-YSURURNPSA-N 462.289 5.308 50 40 JKGB N#C/C(=C\c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 3232176 TXQMJSPVMQHMHO-YBFXNURJSA-N 487.342 6.911 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8453589 QBPYXZXURJWMCR-KGENOOAVSA-N 489.601 5.278 50 40 JKGB O=c1oc2ccc3ccccc3c2cc1SSc1cc2c(ccc3ccccc32)oc1=O 9235416 MEOBQLBQPHVKMB-UHFFFAOYSA-N 454.528 7.005 50 40 JKGB O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2cccc(OCc3ccc(Cl)cc3)c2)[nH]n1 9375156 RUDFDILZEKVXOO-OKCVXOCRSA-N 496.954 5.932 50 40 JKGB CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1 13768991 OEJLAMGCIOYMHE-RCCKNPSSSA-N 491.956 5.041 50 40 JKGB CC(/C=C/c1ccccc1)=N\NC(=O)CCCCCCC(=O)N/N=C(C)/C=C/c1ccccc1 14920679 IBVRVFSLMRAXPQ-AABLQQKESA-N 458.606 5.738 50 40 JKGB CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccccc1Cl 20348402 GWSLYRIAOXLLMJ-HSZRJFAPSA-N 482.005 5.279 50 40 JKGB O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1c(F)cccc1Cl 28350491 KDHVYAMNHJFSDF-PPDIBHTLSA-N 487.387 5.773 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c1C 33579790 HEMONZIZFJSKAY-UNOMPAQXSA-N 477.923 5.659 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCC(=O)Nc1ccc(F)cc1 33620952 LTLGNVUTEOVLQK-YVLHZVERSA-N 490.922 5.754 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C 58913222 WZXSGUSIGRXWIA-KBKYJPHKSA-N 477.779 5.452 50 40 JKGB Cc1cc(N(C[C@H](C)Br)C[C@@H](C)Br)ccc1/N=N/c1ccccc1C(=O)O 59364617 IUBPTOPNFAZJQA-UXRJGGBKSA-N 497.231 6.482 50 40 JKGB CCCCCCCCCCCCCCCC(=O)N/N=C/c1c[nH]nc1-c1ccc(OC)cc1 97965601 WFGUQBPHYKNXRI-SGWCAAJKSA-N 454.659 7.017 50 40 JKGB O=C(N/N=C/c1ccc(-c2cccc(Br)c2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 107624301 QNKLZCVYRJHDAI-SSDVNMTOSA-N 470.304 5.596 50 40 JKGB C[C@@H]([C@@H]1CCC[C@H]1P(c1ccccc1)c1ccccc1)P(C1CCCCC1)C1CCCCC1 202558923 IHERDRRKNNMAEF-LGXAAPQCSA-N 478.641 8.824 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1cccc(C(=O)O)c1 408543305 QDQXHBQRRORDHE-UWVJOHFNSA-N 492.318 5.688 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 408744467 LIJDYSCOMXUHEQ-ULJHMMPZSA-N 478.548 6.372 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(I)cc1 408761424 JZXQLLULLHJJDK-KAMYIIQDSA-N 474.685 5.750 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2cccc3ccccc23)cc1 408762316 JZFDBHGGLAFOCP-LQKURTRISA-N 489.369 5.954 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2Cl)cc1 408789235 OQPPMSDHSXVIMY-SRZZPIQSSA-N 465.380 7.043 50 40 JKGB CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Cl 408796150 OFVGUKMNTJCUHJ-MKMNVTDBSA-N 467.736 5.443 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 408797185 QFKLJYYQOAALST-LICLKQGHSA-N 487.770 6.780 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc3ccccc3c2)cc1 408798571 VYHBUSDZOCOVRL-NLRVBDNBSA-N 476.532 6.141 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1sc2c(c1C#N)CCCC2 408806326 AKTVEXNIWVUQIP-PDGQHHTCSA-N 460.990 6.105 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)c(C)c1 408849229 VOXZLFKGAIEWCS-ZMFRSBBQSA-N 464.363 5.984 50 40 JKGB O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 408862522 ZSQUTZCYRKZRQN-GHSKZQDZSA-N 483.515 5.244 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 408871513 ZSBVKZIKULPQDC-XSFVSMFZSA-N 490.456 7.122 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OC(=O)c1cccc2ccccc12 408889344 CSPMLAKPQFIKJT-XSFVSMFZSA-N 482.923 6.267 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)[C@H](CC(C)C)NC(=O)c2ccccc2Cl)o1 409168065 LBESIVCUUMGUAB-VATWTLTGSA-N 496.951 5.111 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(Br)c(Br)c1O 409202283 QPINUGIAXDDPDS-GHXNOFRVSA-N 468.101 5.288 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccccc1 409228351 XRYAXOJTRZNZDN-UEIJICEPSA-N 481.430 6.190 50 40 JKGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc1Br 409364174 NHJSPUVUBSASQY-XODNFHPESA-N 497.780 5.115 50 40 JKGB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1 409377598 IPMXLNMWWRMVEO-LDADJPATSA-N 463.877 5.338 50 40 JKGB CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)cc1OC 409379364 WKWPJDBEMYJGFC-LITAXMHPSA-N 469.763 5.061 50 40 JKGB Cc1cc(C)c([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)c1COc1ccc(Cl)cc1 647864 KPFOHQFZBKZRHU-HOFKKMOUSA-N 483.015 6.438 50 40 JKGB CCc1ccc2nc(-c3cccc(C)c3)nc(SCC(=O)NNC(=O)c3ccc(C)cc3)c2c1 922193 SMSXONNGCWJBFZ-UHFFFAOYSA-N 470.598 5.029 50 40 JKGB Cc1ccccc1C[C@H]1S/C(=C(/C#N)C(=O)NCc2ccccc2)N(c2ccc(Cl)cc2)C1=O 1790421 FFONBSFQDNWJHT-NLTRVXJZSA-N 488.012 5.391 50 40 JKGB CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc1 1823207 KDFQOMMFQUHGGM-ZVHZXABRSA-N 485.704 5.227 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3C)nc3c(C)cccn3c2=O)cc1 2427391 MALLLBRIQLXSKW-LTGZKZEYSA-N 494.551 5.356 50 40 JKGB COc1ccc(Br)c(/C=N/NC(=O)COc2cc(C)c(Br)cc2C(C)C)c1 3168067 MLOGTXLEYXLGRB-AUEPDCJTSA-N 498.215 5.181 50 40 JKGB N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)c1nn(-c2ccccc2)c(N)c1C#N 6474573 IBZSYKHPBRNWNE-XSFVSMFZSA-N 474.955 6.047 50 40 JKGB CC1=C(C(=O)Nc2c(C)cc(C)cc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccccc2)N1 12250133 MZFGZMOVVKYIFC-SANMLTNESA-N 497.620 6.156 50 40 JKGB Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Cl)c3Cl)C3=C(CCCC3=O)N2)c1 13174837 FXWMPFYHBBPIPA-QFIPXVFZSA-N 498.435 6.103 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1F 13425330 YZHUUWXJCMXZCW-HMAPJEAMSA-N 469.516 5.160 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 14134576 NJDLIXQEWIGTIS-WKULSOCRSA-N 485.411 6.281 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCCOc3ccccc3)c(OC)c2)cc1OC 27837572 DVTLUHLOVOTSTP-DEDYPNTBSA-N 465.933 5.888 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)c(Br)cc1OCc1ccccc1C#N 33645385 BWKOJDHMMSQDKX-JAIQZWGSSA-N 477.333 6.502 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 34982782 NEJMTKUHRWHXPE-XQNSMLJCSA-N 468.534 5.462 50 40 JKGB Cc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 107890603 IVHDATZJICKPDN-ZMFRSBBQSA-N 456.329 5.083 50 40 JKGB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc21 208261703 JYYDDATXQXXDOD-BCUAHEQISA-N 461.009 5.809 50 40 JKGB CC(C)N1c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2[C@@H](C)CC1(C)C 223556448 PHIRUAFHPWGZMO-BEWREHSGSA-N 466.423 6.495 50 40 JKGB CCCCCCCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OC 408540416 RNCBFLGFKVFYDU-RCCKNPSSSA-N 499.449 7.051 50 40 JKGB N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 408553579 OHPJOWAUPYGMNM-GZTJUZNOSA-N 457.744 6.728 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 408581273 VTEAXNVRYBOZSV-OQLLNIDSSA-N 492.189 7.382 50 40 JKGB CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1 408763529 FZQUVAIBCPDYNY-HAHDFKILSA-N 496.544 5.356 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccccc1F 408777863 KNHCQJDATBNAEF-ODLFYWEKSA-N 457.343 5.327 50 40 JKGB C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 408780509 ZZHMHYHGWCBNIB-NHFJDJAPSA-N 484.021 5.001 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408789822 MCNNYFYPFGNFFY-VCHYOVAHSA-N 497.334 5.581 50 40 JKGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 408795309 LMCDHJQVKOKYDL-KGENOOAVSA-N 474.944 6.038 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1ccc(Br)cc1 408806443 JFUJNZDQOYPDFP-OUFZILDSSA-N 497.433 6.029 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(Br)c2)cc1 408814080 RHCQYEOJHPRADX-BKUYFWCQSA-N 477.358 5.260 50 40 JKGB O=C(N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cc2cc(Br)ccc2o1 408852007 PHAVQRUCINTVIU-KSEXSDGBSA-N 481.331 5.580 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccncc2)cc(Br)c1OCc1ccc(Cl)cc1 408874855 DMSKOUCLIBZZET-ZMFRSBBQSA-N 488.769 5.239 50 40 JKGB C=CCOc1c(Cl)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1OCC 408904888 QAJXSWIJYUAAFR-FMCGGJTJSA-N 466.763 5.530 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1O[C@@H](C)CC 408942896 LLMUEMKOYCNUKX-ARCFYCQJSA-N 459.340 5.535 50 40 JKGB C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1CC=C 408985197 AFBYNLBCATUSIN-PDGQHHTCSA-N 471.782 6.250 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Br)cc1OCC#N 408985982 YYUXYKNOVJWNMU-NVNXTCNLSA-N 474.742 5.258 50 40 JKGB CCc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C)cc1 409033843 MLRVELDLVXAHAT-RGXNXFOYSA-N 472.592 6.636 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)cc1 409040660 HJVPUQPBNNEDCH-VCHYOVAHSA-N 455.316 6.566 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1OCc1ccccc1Cl 409068395 RHSHBBSWKSJZBX-BUVRLJJBSA-N 486.999 6.819 50 40 JKGB Cc1c(/C=N/NC(=O)CSc2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1C#N 409207968 DMLFHAIZSCKKEN-WKULSOCRSA-N 473.001 5.766 50 40 JKGB COc1ccc(C(=O)N/N=C/c2c(-c3ccccc3)n(-c3ccccc3)c3ccccc23)cc1OC 3235766 XUUGVJSTIOZTTC-AJBULDERSA-N 475.548 6.079 50 40 JKGB CCn1c(SCC(=O)N/N=C(/C)c2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1 9019818 JXXGKWAZGPHVJL-MSXFZWOLSA-N 482.824 5.558 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 9057458 WXFNGXKUANNQAT-WOJGMQOQSA-N 478.302 5.482 50 40 JKGB CCCCc1ccc(N2CSC3=C(C#N)[C@H](c4c(F)cccc4Cl)CC(=O)N3C2)cc1 12251075 OANSCDZNYOXWRU-GOSISDBHSA-N 455.986 6.041 50 40 JKGB COc1cc(/C=N/NC(C)=O)cc(Br)c1OCCOc1ccc(C2CCCCC2)cc1 12285244 GZSAOVDRBPVDPG-WGOQTCKBSA-N 489.410 5.433 50 40 JKGB O=C(CNc1cc(Br)c(Br)cc1Br)NN=C1CCCCCC1 15134328 BXYDHNUERBJELE-UHFFFAOYSA-N 496.041 5.212 50 40 JKGB Cc1cc(C)c2c(c1)/C(=N/NC(=O)CSc1nnc(-c3ccccc3)n1-c1ccccc1)CCC2 33045677 RYJMNWICZQTCCZ-XLVZBRSZSA-N 481.625 5.500 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Br)c1OCC 33574020 DOBBVSKWWZIKFH-SSDVNMTOSA-N 492.351 5.133 50 40 JKGB CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)c1O 39383597 UOYQDAKHHAUEDC-OPEKNORGSA-N 496.188 5.706 50 40 JKGB C/C(=N\NC(=O)[C@@H](C)Sc1ccccc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 58917145 IFICDRRDYOYGKS-RCXROOBYSA-N 485.628 6.673 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 59224498 NYMNYQNSALNDEO-NDENLUEZSA-N 451.353 6.680 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(Cl)cc1Cl 59334387 KDQIHKFISGDDME-NSIKDUERSA-N 484.177 5.339 50 40 JKGB O=C(Cl)N(C(=O)CCl)c1ccc(Cl)cc1/C(=N\O)c1ccccc1OC(F)(F)F 95611633 LXPUEXFZEYWWPK-IWIPYMOSSA-N 469.630 5.396 50 40 JKGB O=C(NNc1cccc(OCc2c(Cl)cccc2Cl)c1)[C@@H]1CC(=O)N(c2ccccc2)C1 408601438 AYAXPDKHJNXRSU-MRXNPFEDSA-N 470.356 5.069 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1 408745737 OQQUYVSFGRSTIX-ULJHMMPZSA-N 457.533 6.397 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 408765117 WNEWUEBTTSQOHN-XMHGGMMESA-N 490.357 5.321 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)c2C)cc1 408781813 DXDKRPATCKFBGF-WKIKZPBSSA-N 488.371 5.107 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(I)cc2)o1)C(=O)Nc1ccccc1Cl 408789763 LBIKHNTZYQSPKT-SDNWHVSQSA-N 474.685 5.750 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1cccc(F)c1 408806740 BDHBHDBDLBSJQW-YVLHZVERSA-N 499.311 5.861 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCc1c(C)ccc2ccccc12 408807388 CQDBZNLXRATIKN-KOEQRZSOSA-N 476.576 6.980 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccc(Cl)c2)cc1 408813367 MZEMWVPRZUBARI-XSFVSMFZSA-N 462.933 5.872 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2cc(C)cc(C)c2)cc1 408883434 RCQCNYJNBQTZKL-BUVRLJJBSA-N 472.972 6.270 50 40 JKGB COc1cc(C)c(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1C(C)C 408980045 PQJQZIVECPVOEX-VKMIRQPFSA-N 457.574 5.139 50 40 JKGB Cc1cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(C)n1-c1cccc(Cl)c1 409067542 YTMWEVIQQIRTMP-OKCVXOCRSA-N 482.971 5.366 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1OCc1ccc(C(=O)O)cc1 409074224 YRNYCCZZEOAIDR-HYARGMPZSA-N 486.499 5.386 50 40 JKGB Cc1ccc(Sc2ccc(/C=N\NC(=O)COc3ccc(Cl)cc3)cc2[N+](=O)[O-])cc1 409110011 PJDXATXZXQHOCY-CFRMEGHHSA-N 455.923 5.237 50 40 JKGB COc1cccc2cc(C(=O)N/N=C/c3ccc(-c4ccc(C)cc4Br)o3)oc12 409175302 ZUPOBKDSWOXMCK-WYMPLXKRSA-N 453.292 5.536 50 40 JKGB O=C(N/N=C\c1cn(CCOc2ccccc2)c2ccccc12)c1cccc(Br)c1 409209606 CUOSGZSORHIOSL-QQXSKIMKSA-N 462.347 5.247 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)cc1 409226984 WXQYPZDTCSGYNB-LDADJPATSA-N 463.896 5.351 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 409255213 GTCRDPPHIAYWOM-GZTJUZNOSA-N 496.350 5.565 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1OC 409306125 YNGHMNRKZKWAFH-MWLSYYOVSA-N 494.975 5.573 50 40 JKGB Cc1c(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2n1Cc1ccc(F)cc1 409392295 OUURUJSIELVROL-FMFFXOCNSA-N 475.567 6.419 50 40 JKGB N#C/C(C(=O)Nc1ccccc1Cl)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1 2363254 NPBBHNLRFKOSBH-AEPTXUNZSA-N 459.958 5.405 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cc2c(ccc3ccccc32)o1 2726771 BIGMLWLZFRZGFN-LGJNPRDNSA-N 459.845 6.172 50 40 JKGB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccco3)c2)cc1 3081670 SRROBILRSMMYEF-STBIYBPSSA-N 476.573 5.742 50 40 JKGB COc1cc(-c2cc(-c3cc([N+](=O)[O-])c(/C=N\NC(=O)c4ccncc4)o3)ccc2OC)ccc1C 5824195 AHMKICSBJKVXCO-MBTHVWNTSA-N 486.484 5.006 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)cc3)o2)sc2c1CCCC2 6142433 CVPBPEFGJYPECO-JXAWBTAJSA-N 460.555 5.918 50 40 JKGB Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4[nH]3)c(Oc3ccc(C(C)(C)C)cc3)nc12 8590252 XDRWLFLHFPQTNA-KNTRCKAVSA-N 475.552 6.033 50 40 JKGB Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCCc2ccccc2)c1 13806869 LBDOXMIJKCYUMS-PTGBLXJZSA-N 492.579 5.185 50 40 JKGB Cc1ccc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3ccccc3C)c2C)cc1 20243628 ZYIZCALEBFQAAV-LGJNPRDNSA-N 484.463 5.857 50 40 JKGB CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)N1 20347885 DZRJEEFOWXADIX-SANMLTNESA-N 498.608 5.603 50 40 JKGB CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 30821992 OMYDHARTIRHETP-KNNQWDAGSA-N 494.975 5.610 50 40 JKGB CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1 33795466 MGTMAFDNIXGNEU-OFWBYEQRSA-N 474.601 6.387 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)c1C 38196232 CDDMEVTYAGYOSM-FSGOGVSDSA-N 451.570 5.097 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1 59116965 PFJNXYHYFUVGRW-SFQUDFHCSA-N 467.308 5.767 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(C(=O)O)cc1 59148730 QTZOQFFHVHGXTG-RPPGKUMJSA-N 473.312 5.043 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1O[C@H](C)CC 408551282 MVCYEDYIXHWGBH-MTEVNVADSA-N 450.376 7.242 50 40 JKGB Cc1cc(/C=N\NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(-c2ccccc2)cc1 408678017 WZQZLJGZJXCRGF-YQYKVWLJSA-N 462.597 6.125 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1cccc([N+](=O)[O-])c1 408787451 AHMWDDRTNCTDPH-VCHYOVAHSA-N 463.877 5.381 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(F)c3)c3ccccc23)cc1 408795671 MENXHYMWYQMKIX-RCCKNPSSSA-N 467.500 5.551 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)cc2Cl)cc1C 408803148 LSQHYSGMQGSTCS-CIAFOILYSA-N 465.380 7.043 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Br)cc3)cc2)cc1 408831235 QKBHNKRRHCVBQU-XMHGGMMESA-N 463.331 5.582 50 40 JKGB O=C(N/N=C/c1ccc(Br)o1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 408839364 RCSFFSBQZYPZGS-AUEPDCJTSA-N 481.133 5.365 50 40 JKGB CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1 408846999 SEGMIBRVECUXEA-JFLMPSFJSA-N 476.989 6.370 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)cc3Cl)c(C)c2)cc1C 408851635 DVYCIAKIZWTHSN-WSDLNYQXSA-N 479.407 7.352 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 408867742 MTPOYGCHYHXFSM-CPNJWEJPSA-N 485.303 6.604 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3Br)ccc3ccccc23)cc1 408872170 AHRYRDUXZZUIIR-OQKWZONESA-N 497.392 6.747 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC(=O)c3ccccc3)c(Cl)c2)c([N+](=O)[O-])c1 408880838 KZQHVWGXIQBIGR-LICLKQGHSA-N 496.306 5.975 50 40 JKGB N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1ccc(Br)cc1 408884210 YAAVNDSCMUPZDZ-LDADJPATSA-N 467.750 6.227 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 408886031 CWVSRVQGUSIGKC-RQZCQDPDSA-N 469.328 6.163 50 40 JKGB CCCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2cc(C)ccc21 409043087 ZIPLLOMGAPHIDY-DXJNIWACSA-N 460.581 6.647 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)NC1CCCC1 409189483 PLHXCTSERZLNJH-BOPFTXTBSA-N 459.771 5.647 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 409191233 DWDPAJSQLZYSKJ-KQWNVCNZSA-N 457.549 5.778 50 40 JKGB N#C/C(=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)NCCCc1ccccc1 409230860 GQHOKNJSOAICFX-PLRJNAJWSA-N 480.995 6.728 50 40 JKGB COc1cc(/C=N/c2cc(Cl)ccc2-n2ccnc2C)ccc1N(CCCl)CCCl 1727747 TZETXSULGWHLRO-JFLMPSFJSA-N 465.812 5.877 50 40 JKGB N#C/C(=C\Nc1cc(Cl)cc(Cl)c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2277626 WWMVVVCQVOGFGW-FMIVXFBMSA-N 485.308 6.108 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc2n1Cc1ccc(Cl)cc1 2727005 NFWXJMZJKOIGDX-UYRXBGFRSA-N 460.364 6.851 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)NCCc1c[nH]c2ccccc12 9324031 LHAOIUZWGKCMJD-GZTJUZNOSA-N 460.877 5.255 50 40 JKGB Cc1cc(C)cc(OCC(=O)N/N=C/c2cc(/N=N/c3cccc(Br)c3)ccc2O)c1 12859580 ZGRTVYTWKDBHQW-ZGQMNJRFSA-N 481.350 5.716 50 40 JKGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1 13055539 ZRMHCRWRWHTMEA-AREMUKBSSA-N 498.608 5.549 50 40 JKGB C/C(=N\NC(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccc(C)cc12)c1cc(O)ccc1O 13321446 UQHOACXAJNPOLB-UXHLAJHPSA-N 469.541 5.563 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1C#N)C(=O)Nc1sc2c(c1C#N)CCCC2 14152130 PICBIBGYEVXLPO-FYJGNVAPSA-N 464.550 5.495 50 40 JKGB Cc1ccc(C(C)C)c(OCCn2cc(/C=C(\C#N)C(=O)NCc3ccco3)c3ccccc32)c1 15931721 DWIZRVFIWXTTQQ-CJLVFECKSA-N 467.569 5.969 50 40 JKGB Cc1cccc2c(C(=O)N/N=C(/CCCCl)c3ccc(F)cc3)cc(-c3ccc(Cl)cc3)nc12 22753061 AWNLHGJWNUZFNU-TZHWMEPESA-N 494.397 7.156 50 40 JKGB COc1ccc(/C=C/C(=O)Oc2cccc(/C=N\NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 30734323 YQVVFALVCXYOAE-KOJYMNLVSA-N 456.542 5.375 50 40 JKGB CCOC(=O)c1c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)sc2c1CCCC2 100363411 SSANPYLATMUYCD-UHFFFAOYSA-N 485.589 6.613 50 40 JKGB CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1OC 408539775 YVGQAUDZXUSZGQ-DICXZTSXSA-N 486.037 6.504 50 40 JKGB COc1cc(COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2)ccc1OCc1ccccc1 408539965 KZNSAADKFCPOIH-YZSQISJMSA-N 492.531 6.826 50 40 JKGB Cc1cccc(COc2ccc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)cc2)c1 408570526 WJQGKAGLVWIRHV-JVWAILMASA-N 478.639 5.582 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)C(=O)Nc1ccc(Cl)cc1Cl 408782637 IEWSADKHDGYYRL-ZDLGFXPLSA-N 467.308 5.816 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc2c(c1)OCO2 408796495 AIZMNUVJKKEGEZ-QNDYCBLQSA-N 470.525 5.177 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1ccc(Cl)c(Cl)c1 408802369 DNWIXAHSFLCDEQ-UURSIYQISA-N 487.427 6.573 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc(F)cc1 408825903 RZLOSNZBSRSSAX-WQRHYEAKSA-N 468.887 6.142 50 40 JKGB COc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c2ccccc12 408846671 YERUIOVYNMWHRN-XODNFHPESA-N 484.503 5.760 50 40 JKGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)o1 408851873 AYDMWMBADNMJLL-KSEXSDGBSA-N 484.262 5.136 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)ccc1OCc1ccccc1F 408865575 DEFMFYHSWXOUFY-LPYMAVHISA-N 490.531 5.044 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2F)c(Br)c1 408866670 HTZCERCJSWKLCQ-YBFXNURJSA-N 483.768 6.687 50 40 JKGB N#C/C(=C\c1c(Cc2cccc(F)c2)ccc2ccccc12)C(=O)Nc1ccc(Br)cc1 408870581 WPDSLFLOZHSCGY-LTGZKZEYSA-N 485.356 6.878 50 40 JKGB COc1cc(C)ccc1C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(Cl)c(Cl)c1 408899143 NODOYQNGILPTAM-UVHMKAGCSA-N 473.356 5.662 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1 409135377 URAKLCOWEPWDPV-QFIPXVFZSA-N 464.308 5.368 50 40 JKGB C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1Cl 409315387 VDNBQCWCZJTRSM-MBTHVWNTSA-N 485.367 5.910 50 40 JKGB CCCOc1c(I)cc(/C=C(\C#N)c2cccc3ccccc23)cc1OC 409327821 WSFQMDVKCUWPQU-LDADJPATSA-N 469.322 6.306 50 40 JKGB O=C(CNc1ccc(Br)cc1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 409361477 STWMGNPSVFZYJS-XODNFHPESA-N 495.808 5.668 50 40 JKGB Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(Cl)cc1 647865 XSCUTEYQQOSMGU-DEOSSOPVSA-N 462.977 5.987 50 40 JKGB Cc1ccc(NC(=O)NN(C(=O)Nc2ccc(Cl)cc2)c2nc(-c3ccc(C)cc3)cs2)cc1 1415243 IOOPXVASSLLBNK-UHFFFAOYSA-N 492.004 6.856 50 40 JKGB Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c1 3060885 NNGJUTNFSYZWAX-BQBNFOSNSA-N 474.604 6.339 50 40 JKGB Cc1c(/C=N/NC(=O)c2cccs2)c2ccccc2n1Cc1ccc(Br)cc1 4083691 LXTNOGULKDPYAC-ZMOGYAJESA-N 452.377 5.586 50 40 JKGB CCCCCCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O 8425455 MZPZNBXHGZXMSA-UHFFFAOYSA-N 471.642 5.486 50 40 JKGB C/C(=N\NC(=O)CSC1c2ccccc2-c2ccccc21)c1cccc(I)c1 8843172 DCGHAZPRYAFTQQ-MFKUBSTISA-N 498.389 5.635 50 40 JKGB CC[C@@H](C)c1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2OC)cc1 8860829 MTSQJKIFNRYAMD-RYEBZEHMSA-N 484.596 6.521 50 40 JKGB CC(=C/c1ccccc1)/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1 13618219 MOWYVQVZQGKRBU-GBWXPPLLSA-N 475.017 6.036 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCc1ccccc1 33350584 QCGZPKLEOIKRBD-RGXNXFOYSA-N 487.559 6.253 50 40 JKGB Cc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)ccc1N1CCCC1 33788143 QAICRBNFYPEKSP-DXJNIWACSA-N 496.611 5.939 50 40 JKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1 98001592 SALJCHSXTCLRIY-FEZSWGLMSA-N 486.656 7.549 50 40 JKGB CCCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F 103528377 VEGPIMXOFZZOOO-ZDUSSCGKSA-N 478.274 7.934 50 40 JKGB Cc1nccn1-c1ccc(Cl)cc1/N=C\c1ccc(N(CCCl)CCCl)cc1Cl 104158710 QWFZBAFEGWJXHM-VYYCAZPPSA-N 470.231 6.522 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)cc2)c(C(=O)OCC)c1C 107720280 JIHOIMCPPAWEQU-HKWRFOASSA-N 494.613 5.119 50 40 JKGB Cc1c(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccc(Br)cc1 108188331 VOKAPBMYPCGJQZ-ZHZULCJRSA-N 472.342 6.733 50 40 JKGB N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 207056235 MONRYQMKTORMLM-MFOYZWKCSA-N 468.296 6.026 50 40 JKGB Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 408540670 AWLJORLHGUPMDE-XYGWBWBKSA-N 482.967 7.089 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c(C)n1-c1cc(Cl)ccc1Cl 408587720 GTJIZWUZQICUOF-RWPZCVJISA-N 456.417 6.391 50 40 JKGB O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc(N2CCCC2)cc1 408676622 LMLRVUDRIALGAJ-ZCTHSVRISA-N 483.999 6.436 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1C#N 408735216 ORNITGWZJKKBNH-CIAFOILYSA-N 457.917 5.735 50 40 JKGB N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1Br 408737532 CSHTZLPTLIORNN-MUFRIFMGSA-N 484.353 5.817 50 40 JKGB CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2cccc3ccccc23)c(I)c1 408774326 UWWVQXJDDJHZNT-NDENLUEZSA-N 496.348 5.455 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2C)sc2c1CCCC2 408778420 FVAPFVGJISXSPV-ZHZULCJRSA-N 473.598 5.675 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1C 408799181 YGLVHXNJKHRVOW-KCOUNZPASA-N 453.542 5.105 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Br)cc1C 408801374 AHQREWFVRJKUHU-UDWIEESQSA-N 495.804 6.844 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1c(C)ccc2ccccc12 408802290 YWRARTQMEIWFFJ-PCLIKHOPSA-N 476.576 6.898 50 40 JKGB O=C(N/N=C/c1ccc(F)cc1)c1ccc(NC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1 408840487 BOUVRGMNAVPHFM-RPPGKUMJSA-N 496.907 5.618 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OCC 408877097 PSSRPRKCRJHIJS-LDADJPATSA-N 457.368 5.745 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(C)cc2OC)cc1OC(=O)c1cccc2ccccc12 408898532 MDOUUDKHPNYPFM-STBIYBPSSA-N 468.509 5.149 50 40 JKGB CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C)c1ccccc1 408997226 CZHUSIMJACYASQ-BPRIINSWSA-N 488.632 5.719 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1OCc1cccc(F)c1 409063999 FPSXMIROWLEWRX-MFKUBSTISA-N 484.571 6.694 50 40 JKGB CC[C@H](C)Oc1c(Br)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OC 409208940 DLEHBYSHGWQAGO-HKNSOBRKSA-N 485.831 5.531 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(Cl)cc1 409225996 SCLBACUTQIPUNX-DEDYPNTBSA-N 489.959 5.529 50 40 JKGB COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)c1 409235536 BXSWCUSJDSHJFX-YBEGLDIGSA-N 454.404 5.606 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)cc2Cl)cc1 409235999 DVXYSCFMOXZLBC-AIRTYWKNSA-N 465.380 6.665 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)[nH]c2c1 409389801 ANOMYLVKXXSATE-ZDLGFXPLSA-N 456.458 5.131 50 40 JKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)cc1OC 1779512 MRDRWFMXHVBTHY-WFVLPUPGSA-N 495.645 5.485 50 40 JKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12 2320478 PZASICHLGKOBHY-UZWMFBFFSA-N 451.529 6.972 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1C 2389894 DVLJOTBNENLWSE-NFHYYMBESA-N 488.012 6.022 50 40 JKGB N#C/C(=C\c1cc2ccccc2nc1SCc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 8857418 SCBNDWDTGPKHHO-UDWIEESQSA-N 481.835 8.551 50 40 JKGB Cc1ccccc1N1CCN(C(=O)/C(C#N)=C2/SC=C(c3ccccc3)N2c2ccccc2)CC1 9360587 BBENGKATONGFKP-XLVZBRSZSA-N 478.621 5.631 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccc(C)cc1 9667605 UVBKKKKXPHAMGY-CVKSISIWSA-N 481.346 5.139 50 40 JKGB C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccc(C(=O)N/N=C/c2ccc(Nc3ccccc3)cc2)cc1 12566449 PUTSRPYIQZNVCA-UZLGAMDSSA-N 484.600 5.362 50 40 JKGB C[C@H](NC(=O)/C(C#N)=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)c1ccccc1 20551277 VURFATIDJMHISS-FSEGOYHTSA-N 475.759 6.603 50 40 JKGB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)[C@@H](Br)[C@]21C 36372113 KLRIHFBNZZHISJ-VCIHUYEMSA-N 483.487 5.699 50 40 JKGB COc1cc([C@H]2C3=C(CC[C@H](C)C3)C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1ccccc1 36611857 QPBMAFMQQDISBN-QYBDOPJKSA-N 450.542 5.258 50 40 JKGB CC(C)(C)c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1 48573382 AKFHHWPNTNRUJC-JVWAILMASA-N 465.391 6.090 50 40 JKGB Cn1c(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)nnc1-c1ccc(C(C)(C)C)cc1 104776198 RCEKDOXNJGKZAZ-XLNRJJMWSA-N 461.616 5.394 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1 408579852 KPBRWDFNDNCJIJ-VCHYOVAHSA-N 473.197 7.708 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCc1ccc(F)cc1 408580014 MNQPYRHBAOSARO-VCHYOVAHSA-N 472.741 6.893 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)Sc1nc2ccccc2[nH]1 408599241 QOPMUHJLYIGKLF-UYRXBGFRSA-N 462.372 6.561 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c1C 408796550 PGFOATNMUYDBAK-UDWIEESQSA-N 495.804 6.844 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(OCc2ccc(Cl)cc2Cl)c1 408802002 XSGJEFKSLLBJGS-LICLKQGHSA-N 469.324 5.832 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCc1cccc(C)c1 408814934 QSPHRXRWHKTACP-QRVIBDJDSA-N 490.987 5.858 50 40 JKGB O=C(N/N=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 408847593 QOOHHPUMDHRDSX-MXAYSNPKSA-N 494.301 5.446 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OCc1cccc2ccccc12 408899528 QBJQPGOWJKSGJC-OEAKJJBVSA-N 493.519 6.190 50 40 JKGB CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1 408921294 AGQIWIZPKZRRSV-XMHGGMMESA-N 459.889 5.063 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c(C)n1-c1cc(Cl)cc(Cl)c1 408926730 XUVRREWRHLFGLG-VIZOYTHASA-N 479.194 7.253 50 40 JKGB O=C(N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1cccc(C(F)(F)F)c1 408963791 PIWZXLOYZRSXNC-FJEPWZHXSA-N 493.441 6.110 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Sc2nc3ccccc3s2)o1 408987173 AQOMSHQXZXQSAB-AUEPDCJTSA-N 478.382 5.876 50 40 JKGB Cc1cccc(Cn2cc(/C=N/NC(=O)c3cccc(-n4c(C)ccc4C)c3)c3ccccc32)c1 408993091 CHXQHZIWXRCWDL-FDAWAROLSA-N 460.581 6.169 50 40 JKGB CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(I)c(O)c1 409013582 MVOPXCVKXNKZHK-ZVHZXABRSA-N 488.325 5.093 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1 409046335 KBZOQFCXTNNWCE-CXUHLZMHSA-N 459.279 6.396 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccc(Br)cc1 409051045 HGVJNNPMQJOGQR-LGJNPRDNSA-N 487.781 5.762 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1OS(=O)(=O)c1ccccc1 409070601 COBDRMJILSRABQ-CJLVFECKSA-N 488.565 5.046 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409219779 QGEOVJRHCIPUBG-XSFVSMFZSA-N 489.959 5.610 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1OCC 409311062 YAUZXHCDVHEISU-RHANQZHGSA-N 496.991 5.879 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)[nH]c2c1 409392836 SIJVYBJCROWWIR-YVLHZVERSA-N 473.363 6.945 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 797882 VVVLFBYEDVPUBU-XSFVSMFZSA-N 453.473 5.161 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccc(C)cc2)cc1 935053 AESZYBDQFLYYDR-NLTRVXJZSA-N 471.557 5.508 50 40 JKGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccc(C)cc2)NC2=C1C(=O)CCC2 2312290 MPKKHWKIIHZPIO-VWLOTQADSA-N 473.598 5.195 50 40 JKGB COc1cc(/C=C(\C#N)c2cccc(F)c2)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 2875940 QYPAKCKTFPTVFA-GIJQJNRQSA-N 483.293 6.148 50 40 JKGB CC(C)(C)c1cc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1O 3143741 KZTGIYOINQBQRM-HNSNBQBZSA-N 499.655 5.386 50 40 JKGB N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc(SC(F)F)cc1 3251310 ZIDASHSEESWVAR-CYVLTUHYSA-N 472.520 6.400 50 40 JKGB N#CC1=C(N)N2C(=O)/C(=C\c3ccccc3)S[C@@H]2C(c2nc3ccccc3[nH]2)=C1c1ccccc1 5724139 VIXWRDZIFIRLCK-COHPBREESA-N 473.561 5.124 50 40 JKGB COc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(F)cc3)nnc2-c2ccc(C)cc2)cc1 8837519 XZTQRVVIJXEQBM-VEILYXNESA-N 489.576 5.023 50 40 JKGB CCC(CC)=NNC(=O)c1ccc(CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 15219702 ZPUJISODCHLRAY-UHFFFAOYSA-N 498.048 5.950 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 28217277 XBFXFCSNFFHFLC-OPEKNORGSA-N 450.753 5.583 50 40 JKGB C=CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1OC 28217757 DCFZTMMPOSSWQR-GHONEHJGSA-N 483.815 5.307 50 40 JKGB CCCCCCC/C(C)=N/NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 33354458 QWCRGNFYVUFDFO-NCELDCMTSA-N 464.031 5.388 50 40 JKGB CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 33403352 BSTKMNABKNTEAJ-NVMNQCDNSA-N 456.398 6.710 50 40 JKGB CC(=O)Nc1ccc(C(=O)N/N=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1 33853687 NXUAFRYRUUARHZ-MUFRIFMGSA-N 455.489 5.280 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Cl 50575719 PTTWCAJYBGOUKY-LTGZKZEYSA-N 493.998 7.312 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(Cl)c1 59297474 YAJDVGSNVASRML-VCHYOVAHSA-N 463.877 5.381 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(C(=O)O)c2)c(OC)c1 59678621 AHVCQSNEERSQCV-XKZIYDEJSA-N 456.498 5.080 50 40 JKGB CSc1nc(-c2ccccc2)[nH]c(=S)c1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 101022461 SNZYGQHINKZSSX-UHFFFAOYSA-O 495.633 6.147 50 40 JKGB COc1ccc(Cl)cc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C2=C(O)CCCC2=N1 102602186 IGCJIBMMTPHTOY-OAQYLSRUSA-N 469.950 5.583 50 40 JKGB C[C@@H]1/C(=N\NC(N)=O)[C@H](O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 104093048 VNKDJJBPRDVEIM-MSKYYKFBSA-N 499.784 6.883 50 40 JKGB CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 108208136 ZPUFDCVUZYIVMB-LGJNPRDNSA-N 456.329 5.295 50 40 JKGB CCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1C(F)(F)F 108972209 MSASUVJJYUHCNV-WGARJPEWSA-N 471.317 6.191 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 408531599 OPYUXJVQHURRTB-YPXUMCKCSA-N 456.251 5.834 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccc(Br)cc1 408542053 JQZLGXGILJBWCO-BKUYFWCQSA-N 478.342 6.189 50 40 JKGB CC[C@@H](C)Oc1c(I)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OC 408550369 GOKXBTBHOZLSEY-NBZOHKLQSA-N 483.349 6.694 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1 408607943 FUYOQXMYKCOYRT-RPPGKUMJSA-N 476.747 5.315 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccccc1Cl 408739399 BKYLLTNQQGQWHC-BRJLIKDPSA-N 461.718 5.585 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C 408742437 QYIUKIPIEQCENQ-QGMBQPNBSA-N 460.368 6.410 50 40 JKGB COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)o1 408747679 RMXOJTLGAURTLZ-RAXLEYEMSA-N 468.263 5.172 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(O)cc1 408793211 DHRVTJAYZQSACA-GZTJUZNOSA-N 494.301 5.188 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1F 408805040 CNQOWOKTADAEOH-QGOAFFKASA-N 451.295 5.713 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)cc1 408818586 XIMKRKIQOXPEKC-XQNSMLJCSA-N 452.941 6.926 50 40 JKGB C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 408821092 CHYASNCZZVNFEH-PTGBLXJZSA-N 492.962 6.630 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 408851043 UZBANHGCHBCLTP-NVNXTCNLSA-N 488.758 6.298 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)o1 408887644 QBILHWQHNQHEAD-UKTHLTGXSA-N 452.810 5.271 50 40 JKGB C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 408955867 PLTFAJMKWULCBB-RPKIPDFYSA-N 475.814 5.958 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl 409049567 WPDQNIJOBTWWLI-CXUHLZMHSA-N 492.189 7.425 50 40 JKGB N#C/C(=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)Nc1ccccc1Cl 409078173 GVKOEWPVHBHRJH-RVDMUPIBSA-N 487.821 6.605 50 40 JKGB C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br 409337782 VQJIIMHMJRCVPX-ZSOIEALJSA-N 464.146 5.622 50 40 JKGB COC(=O)c1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)c3ccccc32)o1 409390650 GJQSSMOXHGWCRH-GDNBJRDFSA-N 494.334 5.922 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc(Cl)c1 716015 YEYMVSYQJAWTSA-HSZRJFAPSA-N 464.949 5.378 50 40 JKGB COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@H]1c1ccco1 874689 LMTPOXQJFYCTHO-VWLOTQADSA-N 485.565 5.239 50 40 JKGB Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1CSc1ccc(Cl)cc1 2111794 WMQWDWISEWGPGG-DEOSSOPVSA-N 479.045 6.700 50 40 JKGB Cc1ccc([C@@H]2C(C#N)=C3N=C(N)c4c(sc5c4CCCCC5)N3C3=C2C(=O)CC(C)(C)C3)cc1 2185973 NMYXLYANJXSMJX-HSZRJFAPSA-N 482.653 6.027 50 40 JKGB C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 3083531 ZTIINULQFKVIJT-DDBXXPGKSA-N 460.537 5.610 50 40 JKGB COc1cc(OC)cc(C(=O)N/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)c1 8811198 QOTLNLWZGPUFPA-MUFRIFMGSA-N 474.944 5.853 50 40 JKGB C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1Cl 12311317 MUQSAXGGHCUJCF-VULFUBBASA-N 463.817 7.093 50 40 JKGB O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc(F)cc1)N2 12375674 SIPUAVBPFFADQX-LVTPPWGZSA-N 498.963 6.471 50 40 JKGB Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)CSCc2ccccc2)c1C 20243610 VZPVIIKVASYDFO-DHRITJCHSA-N 470.436 5.549 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1Cl 30822108 IQGIBIZOUXLNJJ-WGARJPEWSA-N 457.313 5.375 50 40 JKGB Cc1c(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 34746891 RCENSWIHWSSEJB-UNOMPAQXSA-N 462.336 7.277 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1cccc(C)c1 34793779 XHPFIGOEDKKNSF-MTJSOVHGSA-N 457.961 6.875 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1 59282267 ATBNSNOEBYIVGL-LICLKQGHSA-N 468.296 6.026 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc2ccccc2c1 59335662 QSSOCPXSMGAVFX-VEILYXNESA-N 458.561 7.001 50 40 JKGB O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccccc1OCc1ccc(Cl)cc1Cl 108224272 YANVEFRFAXBNBG-MXAYSNPKSA-N 458.301 5.173 50 40 JKGB N#CC(C#N)=C(C1CC1)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]12 170621507 SHGQHJXEYIXIDA-PMFUCWTESA-N 467.572 6.307 50 40 JKGB CCCC[Sn](CCCC)(CCCC)c1ccc(CBr)cc1 203732499 HGRPPIBKCLKISG-UHFFFAOYSA-N 460.088 6.638 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc(Br)cc3)cc2)cc1Cl 408578936 BYIGTJOEKKIHLZ-XDHOZWIPSA-N 481.777 6.493 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc(Cl)cc3Cl)cc2Cl)c1 408580884 SGRFNUBAIYFXHZ-LICLKQGHSA-N 471.771 7.037 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1OC 408581506 IPVOENPBENLERR-YBFXNURJSA-N 484.777 6.763 50 40 JKGB CCc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccc(Cl)c(Cl)c4)c3)CC2=O)cc1 408609762 RWPDKNNIBDUIOR-LJQANCHMSA-N 498.410 5.631 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3ccc4c(c3)OCO4)cc2-c2cccc3ccccc23)c1 408724527 LJWBQCVLWUKXDK-OCSSWDANSA-N 474.520 5.494 50 40 JKGB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c1C 408746261 DEKPFRXQUJVHSN-BOPFTXTBSA-N 495.333 5.319 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1)C(=O)Nc1ccc(Br)cc1 408747509 OYKFSNNQCBLOMM-XFXZXTDPSA-N 483.234 5.071 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 408755495 VDYZVBWIMSLWGL-DHRITJCHSA-N 481.986 5.411 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc(I)c1 408765669 XCHFJISUZIULNG-LSHDLFTRSA-N 485.108 5.622 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1ccc(I)cc1 408767512 LYAOSPDOCMFCJS-FSJBWODESA-N 477.733 5.116 50 40 JKGB N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1 408797831 STUZCUWVJXPSGF-XIEYBQDHSA-N 494.978 7.044 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2)c1C 408799041 XRHMKSJOSRIHNL-FYJGNVAPSA-N 461.359 6.191 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc2c(c1)OCO2 408818961 ZJPMCRGFTGFQKK-NVMNQCDNSA-N 494.906 5.731 50 40 JKGB O=C(N/N=C/C=C/c1ccccc1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 408845126 ORRIHXKGIGHKAH-NYFJTYIZSA-N 494.403 6.889 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(Cl)c2)c1C 408868511 ABSYRPNABQCVFC-CIAFOILYSA-N 479.805 6.856 50 40 JKGB COc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1OCc1cccc2ccccc12 408899863 RDVYUCOBOFGNGZ-ZCTHSVRISA-N 460.533 6.345 50 40 JKGB O=C(N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1ccccc1-n1cccc1 408925322 QZUJOXYBUBVHSC-PPOKSSTKSA-N 495.582 7.127 50 40 JKGB COc1ccc(-n2c(C)cc(/C=N/NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)c2C)cc1 408978248 HICRNTASZYDDMO-LUNPLWTBSA-N 494.595 5.114 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2cccc(C)c2C)cc1 409025243 SGFGRYJDJJLRHK-UHFFFAOYSA-N 455.624 5.024 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)c2nc3ccccc3o2)cc1Br 409044272 VDTLQIAZXATXKY-MDWZMJQESA-N 458.109 5.429 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1Cl 409052021 FPGIPGKDPONWBK-RPPGKUMJSA-N 475.745 5.893 50 40 JKGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1 409084098 WMJBUGMWMKZNEM-MBTHVWNTSA-N 487.968 5.703 50 40 JKGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 409147529 MNBRROBLLVJNLS-FQEVSTJZSA-N 475.759 6.041 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1cccc(C)c1 409208848 DQICMLMPDBFXQD-JFLMPSFJSA-N 469.006 5.869 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccccc1 409235767 QKLQHEASNUHOKM-OJSPLJLUSA-N 495.804 6.466 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2)c1 409268230 ZWIWJBLWDYEROV-MOSHPQCFSA-N 459.933 5.520 50 40 JKGB Cc1ccc(C(=O)Oc2ccccc2C=NNC(=O)c2[nH]c3c(C)cccc3c2-c2ccccc2)cc1 409395944 UHSPCWWPGUUQTP-UHFFFAOYSA-N 487.559 6.435 50 40 JKGB COc1cc(C=NNC(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)ccc1OC(=O)c1ccco1 409397018 FAQXAVNMRINZGF-UHFFFAOYSA-N 493.519 5.728 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSCc2ccccc2)ccc1OCc1ccc(Cl)cc1 2070364 YMYRMYOUFVJMSF-JFLMPSFJSA-N 469.006 5.701 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C2/S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)cc1 2238148 WLNUNOWEHUOZKF-BSSRNLCFSA-N 453.567 5.314 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3)n2-c2ccc(Cl)cc2)cc1 2338344 FGVFGUBWHDOVAX-CVKSISIWSA-N 461.978 5.139 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3c(C)cccn3c2=O)cc1 2429139 DTWNKFLBGWPMFM-HEHNFIMWSA-N 492.579 5.947 50 40 JKGB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 3304142 NIRIFEZYRBDORS-XSFVSMFZSA-N 498.970 6.064 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1cccc2ccccc12 4211322 IZCNKPFRXBAOFV-HKPSVDRMSA-N 456.542 5.020 50 40 JKGB CCCCCCCCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 8386851 LXNYKQDZCTWKCM-QNGOZBTKSA-N 485.480 8.920 50 40 JKGB CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)c2cc(C)n(-c3ccccc3F)c2C)cc1 12558789 QOXJRCPEISDJMN-LGUFXXKBSA-N 477.583 7.050 50 40 JKGB Cc1noc(C)c1COC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C 13098470 SURFVWARTKPKJE-CAOOACKPSA-N 477.870 6.022 50 40 JKGB Cc1ccsc1/C=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl 13597800 FACWRXHIMARAHI-MSXFZWOLSA-N 455.008 5.350 50 40 JKGB CCCC[C@H](Br)C(=O)Nc1nc2ccc(OCc3ccccc3F)cc2s1 20133038 ATZZPWPRBGJCKK-HNNXBMFYSA-N 451.361 5.907 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSc3ccccc3)c2C)cc1C 20243690 YYVNAZCIUANMRW-DHRITJCHSA-N 470.436 5.716 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4cc3OC)c2C)cc1 33536329 XXBUTJWFVMAYDJ-STBIYBPSSA-N 469.541 5.197 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1O 57398336 NPSWAJVSPKOGTM-WZUFQYTHSA-N 456.123 5.406 50 40 JKGB COc1nc(CC[C@@H](O)CO[Si](C)(C)C(C)(C)C)ccc1NC(=O)OCc1ccccc1 195926702 UZRLXQBDNWHPGD-HXUWFJFHSA-N 460.647 5.154 50 40 JKGB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@@H]2C 223610702 BFIJPGNTYQMFRP-SXOHWRJOSA-N 451.618 6.504 50 40 JKGB O=C(COc1cccc2cccnc12)N/N=C/c1cccc(OCc2cccc3ccccc23)c1 408752011 FKTNUTLAYOVJHU-FDAWAROLSA-N 461.521 5.496 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c2ccccc2n1Cc1ccccc1 408766461 QZHOUZWGVVWCMO-ZHZULCJRSA-N 470.370 6.306 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 408792163 IXRYUGWROUAMJX-XYOKQWHBSA-N 458.257 5.716 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 408806003 DPFOAUISDODSLW-CPNJWEJPSA-N 477.904 5.772 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2ccccc2Cl)c1Cl 408818095 ZFZGPQVGHWNDPY-OPEKNORGSA-N 480.735 5.924 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(Cl)cc3Cl)c(C)c2)c1C 408847116 LOLOLZYATPICEI-WSDLNYQXSA-N 479.407 7.352 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)cc2)cc1 408890995 JPRVJOMMFLIJSD-VCHYOVAHSA-N 482.323 6.335 50 40 JKGB N#C/C(=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408892484 ZUYVNCKPICOXPA-LZYBPNLTSA-N 489.831 5.366 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OCc1ccc(Cl)cc1Cl 408898449 LKMQERNOBNZFRL-LUOAPIJWSA-N 498.193 6.652 50 40 JKGB Cc1cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)ccc1Br 408905229 VLUQUWXEPKPPCA-GATIEOLUSA-N 494.220 6.627 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Br)cc3)c2)c(C)c1 408942194 XYPWWFAAZCXFLA-BKUYFWCQSA-N 461.359 6.191 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 408965470 HPLJFMHTNXAQER-ZCTHSVRISA-N 466.629 6.563 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 409160248 FHSHQRGROWFCFV-CCVNUDIWSA-N 491.802 6.317 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc2ccccc2c1 409192033 SVTUQQPHCQPGEH-OKCVXOCRSA-N 493.390 6.888 50 40 JKGB CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(C(F)(F)F)c3)=C2C#N)cc1 409325009 VXNJSMMBLIDDCN-KRWDZBQOSA-N 477.533 5.138 50 40 JKGB N#CC1=C(N)N(c2ccccc2Cl)C2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccnc1 685960 FPMFQHLOIDYFBQ-KBMIEXCESA-N 452.945 5.433 50 40 JKGB CC(C)c1ccc(/C=N/NC(=O)c2nn(Cc3ccc(Cl)cc3)cc2Br)cc1 1089258 VXZBESALLRREPR-BHGWPJFGSA-N 459.775 5.235 50 40 JKGB Cc1ccc(C(C)C)c(OCCn2cc(/C=C(\C#N)C(=O)NCc3cccs3)c3ccccc32)c1 1789231 OGTXKYHXBPASNX-CJLVFECKSA-N 483.637 6.437 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)n2-c2ccc(C)cc2)cc1 1816543 CZFOZLMVHFUNBI-STBIYBPSSA-N 483.641 5.917 50 40 JKGB CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 2553506 CWNJWAUREBWJIL-WOJGMQOQSA-N 486.424 6.765 50 40 JKGB O=[N+]([O-])c1ccc(OC[C@@H](Br)[C@@H](Br)c2ccc(Br)cc2)cc1 3065348 HDPOHNJNCLBYNQ-CABCVRRESA-N 493.977 5.636 50 40 JKGB O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 3112668 VBNQLFLGICUQKZ-CVKSISIWSA-N 459.398 6.205 50 40 JKGB CCOC(=O)c1c(/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccccc2)sc2c1CCCC2 8400204 BANSFMZXNXQVER-YSMPRRRNSA-N 478.526 5.682 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(C)cc4)c32)ccc1OC(=O)c1ccccc1 8569243 OZANVJKSRHTCEO-XMMPIXPASA-N 492.535 5.221 50 40 JKGB N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 12251102 MFZHUXHPQYRETE-DEOSSOPVSA-N 488.012 6.138 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1ccc2ccccc2c1 12465462 DFPNRXDZTDKKRE-MFKUBSTISA-N 499.086 6.270 50 40 JKGB COC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)o2)ccc1Cl 15018557 OIQGMNWKSIMYAR-CCVNUDIWSA-N 472.884 6.050 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1cccc2ccccc12 33383699 CJZGUDLSOKDQDZ-BIZUNTBRSA-N 490.559 6.353 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)cc1 33534807 WDZFEYLQRPWIMV-PDGQHHTCSA-N 463.896 5.351 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)c(OC)c3)n2)cc1OC 33932604 XKIPYLRNKAXCSY-LPYMAVHISA-N 484.577 6.479 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cccc(Cl)c1Cl 39884625 HYGFFHJNIDCRCI-XYOKQWHBSA-N 452.124 7.106 50 40 JKGB Cc1cccc(C)c1OCCOc1ccc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)cc1 41108888 UMLDKELXPWLTGN-LTGZKZEYSA-N 469.566 6.566 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1cccc(Cl)c1 59245220 GLCVJZJUOLUHAI-RGVLZGJSSA-N 481.379 6.825 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1cc(Cl)ccc1Cl 59333134 SCWWFXNANYZLRP-QNGOZBTKSA-N 479.411 5.657 50 40 JKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2O)cc1 100985570 GQNUSWJDDLNBCE-XHLNEMQHSA-N 476.621 6.170 50 40 JKGB Cc1ccc(N2C[C@@H](C(=O)NNc3ccccc3OCc3ccc(Cl)cc3)CC2=O)cc1C 408613225 ZVOXHCHDHACDGC-FQEVSTJZSA-N 463.965 5.032 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1)c1cccnc1 408735127 JTFSGNPQHZXTED-UVHMKAGCSA-N 450.329 5.064 50 40 JKGB C/C(=N\NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 408784455 CAPARASKCUMOKY-YZSQISJMSA-N 490.412 5.038 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408790460 WKTBFOCPTWSLEN-LICLKQGHSA-N 468.296 6.026 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)c(C)c1 408808479 JBRRUDOIHNEZJY-YBFXNURJSA-N 485.798 7.388 50 40 JKGB O=C(N/N=C/c1cccc(OC2CSC2)c1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 408831847 VQTUDWHNYOYPRL-ZCTHSVRISA-N 499.680 5.399 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCc1ccccc1 408856257 JQGVBCNOGBMGGR-NTFVMDSBSA-N 489.369 6.267 50 40 JKGB Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1 408896102 MVSSLPWVLLADGZ-SRZZPIQSSA-N 465.380 7.043 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 408897095 VOKKILVXKRATAU-LDADJPATSA-N 481.335 6.157 50 40 JKGB Cc1cccc(COc2ccc3ccccc3c2/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1 408905293 WRXSPXMSAVSPRU-MWLSYYOVSA-N 479.492 6.146 50 40 JKGB Cc1cc(C)c(NC(=O)/C(C#N)=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)c(C)c1 408925932 VAXQSPQYYLFGEJ-TURZUDJPSA-N 496.610 8.043 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1Cl 409031243 JQLITDYVAXLEOX-LQKURTRISA-N 491.016 6.760 50 40 JKGB Cc1c(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc2n1Cc1ccccc1 409036479 WGKUNYOWLBNUKG-ZXSNDDASSA-N 494.598 6.977 50 40 JKGB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N/N=C/c1cn(C(C)C)c2ccccc12 409159102 UWZLYFKTYHODSQ-YDHBKFOLSA-N 473.404 5.434 50 40 JKGB CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)o2)ccc1Cl 409212565 NBPWNYCHWWUXBO-RVDMUPIBSA-N 455.297 5.976 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1 409219205 ODTYDCKYNBTOIT-FYJGNVAPSA-N 473.960 5.828 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(Br)cc1F 409246526 CIHWBHWVULAISF-SDLDRHLBSA-N 466.354 5.780 50 40 JKGB Cc1cccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1C 409262605 IEPGJMUBACXRQX-MOSHPQCFSA-N 459.933 5.520 50 40 JKGB Cc1c(/C=N/NC(=O)CC2(C)SCCS2)c2ccccc2n1Cc1ccccc1Cl 409265422 UVABXRBYGPFHMS-AFUMVMLFSA-N 458.052 5.688 50 40 JKGB CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1Br 409325497 ZDXSLISBQIGQSF-YUMHPJSZSA-N 497.389 5.589 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(c1ccccc1)c1ccccc1 409392058 NPROIPQEOKSDAB-CEUNXORHSA-N 465.509 5.456 50 40 JKGB COC(=O)c1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c3ccccc32)o1 409394257 XUIGUITYJTWETE-VBKFSLOCSA-N 459.889 5.268 50 40 JKGB Cc1cc(Cl)c(Cl)cc1NC(=O)[C@H](Br)[C@@H](Br)c1ccccc1 1738223 XZXJCHGERZXFSX-LSDHHAIUSA-N 466.000 6.140 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc(C)c1C 2327524 OMHQTJMHEVKFQG-LFIBNONCSA-N 488.487 6.366 50 40 JKGB CC1(C)[C@]2(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)CC[C@@]1(C)C(=O)[C@H]2Br 8433140 NGZWVRXNRXLQKS-VEXUSMLFSA-N 488.809 5.668 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccccc2)N1 8934523 OWAOJVLXMGIXFQ-DEOSSOPVSA-N 455.539 5.230 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OCc1ccc(F)cc1 9057503 SPHYFAMQVFEQHC-XDHOZWIPSA-N 461.449 5.176 50 40 JKGB CCOc1ccc(-n2c(SCC(=O)N/N=C(/C)c3ccc(F)cc3)nnc2-c2ccccc2)cc1 9069580 MJFLWAAXRKITMO-VEILYXNESA-N 489.576 5.105 50 40 JKGB Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)c1 12538136 SCGGXEJSXVPNAO-DFEHQXHXSA-N 494.554 6.846 50 40 JKGB CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C(C(=O)Nc3ccccc3)=C(C)N2)cc1 13055541 ZRMHCRWRWHTMEA-SANMLTNESA-N 498.608 5.549 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 20197335 UNHXOQIQVCHUQI-JVWAILMASA-N 452.938 5.480 50 40 JKGB COc1ccc(C(=O)N/N=C/c2c(Br)c(C)n(-c3ccc(C)cc3C)c2C)cc1 20243859 XOXCKXYDGGHZLN-DHRITJCHSA-N 454.368 5.246 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)C(Oc2ccccc2)Oc2ccccc2)c(OCCC)c1 21965872 VENABIDUNKZJAQ-VFCFBJKWSA-N 462.546 5.198 50 40 JKGB Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CSCc4ccccc4)cc3)c2C)c1 28216946 JOWCFWJSHMNPQG-FDAWAROLSA-N 481.665 6.908 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 33349222 HESPGUNVIXLGGP-RWPZCVJISA-N 479.964 5.137 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1 33378510 UOZQDMOUYAYUPT-QRVIBDJDSA-N 485.337 7.154 50 40 JKGB COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3sc4c(c3C#N)CCCC4)c2C)cc1 33431778 JVJUEFMHJSPBFW-CPNJWEJPSA-N 456.571 5.460 50 40 JKGB C/C(=N/NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1)c1ccc(Cl)cc1 34880098 RVKILMLGXNMGOB-RHANQZHGSA-N 453.929 5.808 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)c(C)c1 58913261 HORNJLKVICEMHQ-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB COc1cc(Br)cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1O 83312422 VHQRUSNOCVKLJS-WGARJPEWSA-N 476.330 5.142 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1 109046643 KQIFPNDAGLQWDP-PDGQHHTCSA-N 463.896 5.351 50 40 JKGB CCCCCCCCCCCCCCCCCCC[N+](C)(C)CC[Si](OC)(OC)OC 198230327 AXUZHUXNEPTOEX-UHFFFAOYSA-N 460.840 7.593 50 40 JKGB CC(C)N1c2ccc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2[C@H](C)CC1(C)C 260569545 QTEVYBIWJIATQI-NFXIUMSZSA-N 454.596 5.338 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1cccc(C)c1 408552824 VUNUHGSQMJUCRX-FYJGNVAPSA-N 483.593 5.940 50 40 JKGB O=C(O[C@@H](C(=O)c1ccccc1)[C@H](Br)c1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 408674388 ZPUOZWRHYRXUNT-TZIWHRDSSA-N 488.721 5.793 50 40 JKGB O=C(N/N=C/c1c(OC(=O)c2cccc3ccccc23)ccc2ccccc12)c1ccc2ccccc2c1 408765758 XQXRATXNEDAGSU-KEIPNQJHSA-N 494.550 7.129 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(Cl)cc2Cl)cc1 408809003 GQWFDEIALRIGIC-XDHOZWIPSA-N 497.378 6.525 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1 408809364 LAFCTNMFACTWKO-UBTJMGRZSA-N 463.534 5.174 50 40 JKGB O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCC1 408841562 LHTOUEAMFZNBIP-UHFFFAOYSA-N 482.433 5.405 50 40 JKGB O=C(N/N=C\c1ccc(OCc2cccc(F)c2)cc1)c1cc2cc(Br)ccc2o1 408852436 FUGMBDPXNKXZTR-ZMFRSBBQSA-N 467.294 5.677 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408889181 FIOLXSQFVOWXHS-CVKSISIWSA-N 486.440 5.221 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 408898090 UKYIMJBCTJHTCE-OPEKNORGSA-N 478.719 5.898 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(=O)NC1CCCC1 409187774 BWWHLZQCCFSJKI-SXGWCWSVSA-N 494.216 6.301 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409232353 OFGUHRZRHMCFKV-JJBLJPBOSA-N 488.456 5.088 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2)c(C)c1 409257409 OLDSOIJFIMCIFT-MOSHPQCFSA-N 459.933 5.520 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)c2)cc1C 409269521 JZVZHYJHIFCVMJ-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OCc1ccc(C)cc1 409323007 MJPIRLQFTQHLRH-MBTHVWNTSA-N 482.964 5.407 50 40 JKGB O=C(N/N=C\c1cc(Br)c(O)c(Br)c1)C(c1ccccc1)c1ccccc1 409389777 ACBUPGQLAWGSIG-CFRMEGHHSA-N 488.179 5.199 50 40 JKGB COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(CSc4ccc(C)cc4)c32)ccc1OC(C)C 660158 XINNVFXNJHVGCY-QFIPXVFZSA-N 462.575 5.024 50 40 JKGB N#CC1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)cc1 705636 UNTZIHXEQUQHOG-HXUWFJFHSA-N 488.307 5.773 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1)c1ccc(N)cc1 1468919 KFRVHGZSBXWVMY-NTFVMDSBSA-N 459.937 5.045 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 1767415 KLLLQHVWHQOZME-LICLKQGHSA-N 470.381 6.151 50 40 JKGB CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(F)cc1 1790235 VUYGHOZWBJIGGK-HWLQVLAGSA-N 465.333 5.122 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)sc2c1CCCC2 2207493 CCBNNLSUGMKEQA-HKWRFOASSA-N 491.682 7.102 50 40 JKGB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccccc1 2362448 WWSVMCVQGNRNHT-YDZHTSKRSA-N 450.614 5.226 50 40 JKGB CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3c(=O)[nH]2)c1 9458948 OPWCBPRBQQHSFY-HMMYKYKNSA-N 459.509 5.239 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1c(C)cc(C)cc1C 33876274 SWPYYASGEWKACW-MUFRIFMGSA-N 473.573 5.312 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 59334484 OURXWCFFQVUQCK-STZFKDTASA-N 478.390 5.431 50 40 JKGB O=C(N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl)c1ccccc1Cl 59500725 YPYKCYDLSZTVMP-LGJNPRDNSA-N 469.349 6.191 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCc1ccc(Cl)c(Cl)c1 59534079 LSKVJWBVBDZNGN-VCHYOVAHSA-N 471.340 5.787 50 40 JKGB CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cccc(Cl)c2)N=C2CCCC(O)=C21 102503824 KZGXPYQEPPRPON-XMMPIXPASA-N 494.016 6.380 50 40 JKGB CCOC(=O)c1c(N/N=C2\C(=O)N(c3ccccc3)N=C2C)sc(SC#N)c1-c1ccccc1 102949617 PASKBSFXJODBET-QOMWVZHYSA-N 489.582 5.356 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)c1C 107681992 STXBRQFSGVLVIP-UNOMPAQXSA-N 477.923 5.659 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc2c(cc1C)N(C)C(C)(C)C[C@H]2C 208215456 NCGZSSHZXNJQFZ-VSRRSJTHSA-N 458.400 5.252 50 40 JKGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc21 208247821 PUZQTCMFBNTCPU-UNIYSIPVSA-N 476.020 5.448 50 40 JKGB CCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(-c2csc(C)n2)cc1 408536741 AUGSTNMUMUPNCQ-YSMPRRRNSA-N 456.011 6.495 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2o1 408553717 PGLOEYQFGZAXJY-OQLLNIDSSA-N 498.753 6.870 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccccc1Cl 408553797 PPCDHRAVGUQJNB-LDADJPATSA-N 460.990 6.105 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1C 408566565 HRYSCDQNLQBPLQ-CVKSISIWSA-N 451.364 5.338 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 408579581 ICIKSHWWJBPLJF-SFQUDFHCSA-N 460.338 5.834 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)Nc1ccc(C#N)cc1 408603962 HVZPVVVGFMLARL-LPYMAVHISA-N 491.551 5.532 50 40 JKGB Cc1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3ccccc3C)c2-c2ccccc2)cc1 408732967 UTLAMIBMNKVAPA-NVMPUMLXSA-N 469.588 7.192 50 40 JKGB N#C/C(=C/c1cccc(OS(=O)(=O)c2ccc3ccccc3c2)c1)C(=O)Nc1ccc(Cl)cc1 408757512 YTRGEIOEBAQVQS-STZFKDTASA-N 488.952 5.807 50 40 JKGB COC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OC)c3)c2C)sc2c1CCCC2 408767848 PYUFKAJUVOAWID-UYRXBGFRSA-N 489.597 5.375 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c1C 408790613 XGKJJUNBHRAZHT-VXLYETTFSA-N 485.798 7.388 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 408797416 RJFSXBCRFPDLKA-XDHOZWIPSA-N 477.904 5.772 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl 408797493 SCXGVNJTDJATSV-YBFXNURJSA-N 467.352 6.435 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OCc2ccc(Cl)cc2Cl)c1 408801005 RANUSATXQMZYTG-YBFXNURJSA-N 467.352 6.435 50 40 JKGB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1OC 408835377 YQCURBFXYHBQOE-XDHOZWIPSA-N 497.378 6.525 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1cccc(C)c1 408851777 NWKCODSQANLKHV-IWIPYMOSSA-N 465.553 5.330 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)o1 408978779 KBKHACPLCMIFCN-VKMIRQPFSA-N 496.523 5.175 50 40 JKGB CCOc1cc(OCC)c(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Br 408982967 JFIINPXIEOLHJG-NVNXTCNLSA-N 463.759 5.754 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)c1cc(-c2ccccc2)nc2ccccc12 409042621 YTFOQCRSPJJNBW-RHANQZHGSA-N 451.913 6.579 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)c1 409069251 WVBCCUWTYYVTGE-QGOAFFKASA-N 497.370 5.071 50 40 JKGB COc1cccc(OC)c1OCc1cc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)cc1C 651005 GJHJTVOQFVWSJP-CUNXSJBXSA-N 494.595 5.493 50 40 JKGB COc1cccc(OC)c1OCc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)cc1C 651015 DKHYRRRJLZAWMD-VWLOTQADSA-N 488.584 5.351 50 40 JKGB CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1 1782617 MUHQIBZRBKBOBO-GNYKCMPYSA-N 467.363 5.432 50 40 JKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1 1905852 AHCASFABJRBFLZ-RCCKNPSSSA-N 480.033 6.892 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 8812761 OMMGDEXWTUGRAH-OPEKNORGSA-N 495.204 5.936 50 40 JKGB CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3s2)cc1 8816955 ICWNCRXQWYBBPW-PTGBLXJZSA-N 490.632 7.638 50 40 JKGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc21 9203286 QAEQRTNXASFVQC-RWPZCVJISA-N 471.358 5.017 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 10476023 FBNJRMVPPGDYHW-MUFRIFMGSA-N 484.955 5.548 50 40 JKGB Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4Cl)N(c4ccc(C)cc4)CN3C2)cc1 12250576 INOFWLMGEXWWTK-SANMLTNESA-N 473.045 6.681 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)ccc1OC(C)C 12401652 WRLQBRRRFNEFTD-JFLMPSFJSA-N 465.937 5.152 50 40 JKGB Cc1cc(/C=C(\C#N)c2nc3ccccc3n2C)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 13114235 LVPKSBSIPBDRAR-GZTJUZNOSA-N 454.883 6.717 50 40 JKGB N#C/C(=C/Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1nc2ccccc2o1 16545248 RBIIMAMTXIEQMF-PFONDFGASA-N 495.358 5.368 50 40 JKGB Cc1cc(/C=N/NC(=O)CCSc2ccccc2)c(C)n1-c1ccccc1Br 20241634 FRGFGVSPIHNQDI-BUVRLJJBSA-N 456.409 5.489 50 40 JKGB O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 20247999 XDXXFMXWHMCJJH-KKMKTNMSSA-N 493.843 6.609 50 40 JKGB Cc1c(Cl)cccc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1C 33390715 HVIWKUKGNAAIIV-BRJLIKDPSA-N 466.950 5.943 50 40 JKGB COc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3ccccc3)N(c3ccccc3C)C2=O)cc1 33538307 YZWKCTZVEYVZMG-OGCOBRASSA-N 469.566 5.069 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1cccc2ccccc12 33547101 PJPKSOSJHPYWPX-XKZIYDEJSA-N 479.967 7.330 50 40 JKGB CC[C@H](C)Oc1c(I)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OC 33572804 QUUFTXVVCUILLB-CIKBWMHTSA-N 487.341 5.726 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@@H]1c1cccc(Br)c1 35316353 PYKQFAJFFLFKDW-OAHLLOKOSA-N 462.134 5.364 50 40 JKGB C/C(=N/NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)C12CC3CC(CC(C3)C1)C2 35374297 JMDBHEYQWJOVNS-LJUMEUDFSA-N 458.005 6.877 50 40 JKGB N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 96840556 SMWZCRXHWCARQL-ZROIWOOFSA-N 455.257 5.635 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(I)cc1 108207805 NHLIYFVJDQHYEJ-RGEXLXHISA-N 480.305 5.416 50 40 JKGB CSCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Oc1ccc([N+](=O)[O-])cc1 220064272 UAAQHWWCPKRGKF-XMMPIXPASA-N 492.553 5.161 50 40 JKGB CCCCCCCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC 408539576 XRHMCOUVGBTAJS-QNGOZBTKSA-N 499.449 7.051 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccccc1Cl 408734725 IVUQISDEXDRFCM-DEDYPNTBSA-N 481.379 6.825 50 40 JKGB N#C/C(=C\c1ccc(OCc2nc3ccccc3[nH]2)cc1)C(=O)Nc1cccc(Cl)c1Cl 408759903 NSPHQOUMMGKFSW-FOWTUZBSSA-N 463.324 5.994 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cc(Cl)ccc3Cl)cc2)c1 408762112 CTHRQDWFYVMSSY-GZTJUZNOSA-N 496.350 5.565 50 40 JKGB C/C(=N\NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1cccc(Br)c1 408778502 VOULGYVPOXOSTR-OVVQPSECSA-N 462.391 5.161 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 408788139 BHUBIMXJPJJSHY-YBFXNURJSA-N 469.343 6.820 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 408790493 WNSKMAIWADFPFX-RCCKNPSSSA-N 467.500 5.551 50 40 JKGB CC[C@H](C)NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Br)cc2)c2ccccc12 408802990 KAXYHCNSBGERSB-HUCUOGIVSA-N 450.380 5.582 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1 408805472 KJKMOLDNRYJCIQ-LGUFXXKBSA-N 468.556 7.426 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 408810870 NABQMDPDARUGGB-YBFXNURJSA-N 481.335 5.905 50 40 JKGB CC[C@@H](C)Oc1cc(Br)c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OC 408846025 OKRIWRJZUVADNO-VXIUPONVSA-N 496.405 5.382 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 408847886 WODCPWADYUICHP-FMQZQXMHSA-N 498.322 5.343 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1cccc(F)c1 408853594 QDAIDNYASGTLCF-WKIKZPBSSA-N 497.320 5.686 50 40 JKGB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccccc3s2)o1 408861171 ONVODRPYPWUIIW-GXDHUFHOSA-N 451.960 6.548 50 40 JKGB Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1cc(Cl)cc(Cl)c1 408870603 UAFLPHMLHIAJOP-NSKAYECMSA-N 498.197 5.797 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OCc1cccc(Cl)c1 408892848 DGEFMPMJGBQLAA-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(Cl)cc2Cl)cc1Cl 408986752 DJLWXMBVDSOLLP-ZDLGFXPLSA-N 471.771 7.080 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl 408987939 PSJXTNVJKOOLGE-ZDLGFXPLSA-N 471.771 7.080 50 40 JKGB Cc1ccc(COc2c(Br)cc(/C=C(\C#N)c3ccccc3)cc2Br)cc1 409049883 YLMGYLLJBJCMBZ-RGVLZGJSSA-N 483.203 7.163 50 40 JKGB Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1 409246887 KQPDGLWIEFRPEI-LJUMEUDFSA-N 473.523 5.644 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(I)c1OCC 409354064 XNMKPAUWWLJHSU-DHDCSXOGSA-N 453.707 5.806 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 409365082 YQJAYQVPBQQCNI-MBTHVWNTSA-N 471.384 5.972 50 40 JKGB Cc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(Br)cc1 2801965 WMCGXLIVDFLMQE-FQEVSTJZSA-N 471.376 5.213 50 40 JKGB O=C(NNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)Nc1ccc(Cl)cc1 3205863 WJUUUWCHZWGVHO-UHFFFAOYSA-N 451.850 6.272 50 40 JKGB Cc1ccc(C(=O)NN(C(=O)Nc2ccc(Cl)cc2)c2nc(-c3ccccc3)cs2)cc1 3768078 SFKVLCTVIFNXHR-UHFFFAOYSA-N 462.962 6.155 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 4196139 NUGGCPZWZVECGF-UNOMPAQXSA-N 467.352 6.517 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCc1ccccc1 4196448 YDVSICGPOYZXRU-UDWIEESQSA-N 477.358 5.891 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1C 8738987 OKDKSZHZGYYUGK-QAHUDSGCSA-N 484.600 5.229 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 9261879 WFWJCEGFWNFIMT-XODNFHPESA-N 496.882 5.001 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3cc(OC)c([N+](=O)[O-])cc3C)n2)cc1OC 9313285 AXYZLLYCCCFIEO-RVDMUPIBSA-N 452.492 5.029 50 40 JKGB Cc1ccc(-c2cc(C(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)c3ccccc3n2)cc1 16044690 FWCOOGAZAJRURV-UHFFFAOYSA-N 453.586 5.578 50 40 JKGB Cc1cc(C)cc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3ccccc3C)c2C)c1 20243646 DIICBHPIDGNBCD-UVHMKAGCSA-N 498.490 6.165 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)c(OCC)c2)cc1 20763933 AKLKLVLEACWQLG-JVWAILMASA-N 497.389 5.589 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)n1 28217125 MNFUATSNQNYZLL-YSURURNPSA-N 462.406 5.050 50 40 JKGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 32522837 TUYSNMIPBUBLSW-RPPGKUMJSA-N 485.396 5.691 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)c2)cc1C 33779809 FQRKEGIUQKLRPV-MTJSOVHGSA-N 473.960 5.828 50 40 JKGB N#C/C(=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1ccc(O)cc1 35251815 DBVXFENGIPNICW-LGMDPLHJSA-N 470.916 5.185 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccccc1Cl 59272181 VHVMHURSQIXXKD-XQNSMLJCSA-N 482.967 7.017 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)Nc1cccc(Cl)c1Cl 59336148 DSROLCDTZIIFRZ-PDGQHHTCSA-N 467.308 5.816 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCc1cccc2ccccc12 59921368 JUXDRVJAPRJMAQ-MUFRIFMGSA-N 468.509 5.310 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 96476368 IISATBPQBJKGBR-ULJHMMPZSA-N 465.528 6.358 50 40 JKGB Cc1c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2n1Cc1ccc(Cl)cc1Cl 107992361 AKMGVXURVTZPQY-MUXKCCDJSA-N 495.366 5.906 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)cc1 252485569 GYZDOVJVACNLGU-LFIBNONCSA-N 478.392 7.092 50 40 JKGB O=C(NNc1cccc(OCc2c(Cl)cccc2Cl)c1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408601201 ALOIQOAWSXPWTK-HNNXBMFYSA-N 488.346 5.208 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1 408726818 VMUGSMLSODLPMQ-MOSHPQCFSA-N 468.778 7.144 50 40 JKGB CCC(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 408731857 NLLOEJMAHRPHEF-VEILYXNESA-N 472.386 6.434 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccccc1F 408744398 KZXPEXBDDBLLKL-ODLFYWEKSA-N 495.348 6.030 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 408759717 KHEYJVXKZBGWHI-SFQUDFHCSA-N 467.308 5.767 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccc(Br)cc1 408790766 YKQTVMRPINYPSN-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB N#C/C(=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)Nc1ccccc1Cl 408794439 IKARELQYKGLTBJ-CJLVFECKSA-N 461.952 7.042 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(O)cc1 408797243 QNUXRIBXFJMLEE-GZTJUZNOSA-N 494.301 5.188 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 408807437 CJFWLCPDIFUDCG-WQRHYEAKSA-N 495.894 5.911 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc([N+](=O)[O-])c2)cc1 408807603 DHXMSYASVPTTDY-CPNJWEJPSA-N 477.904 5.772 50 40 JKGB CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1 408835685 ZBMQHIAHYBMAGK-PTGBLXJZSA-N 496.994 7.407 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1OC(=O)c1cccc2ccccc12 408883501 VNCPNNNFXIMKMN-AJBULDERSA-N 489.531 5.622 50 40 JKGB CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(Br)c(C)c3)c2C)c1 408905241 VUSCIYSGLAQPNE-WGARJPEWSA-N 497.393 5.497 50 40 JKGB O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cc2cc([N+](=O)[O-])ccc2o1 408961004 KWXPGEAHELTDRK-WKULSOCRSA-N 499.910 6.491 50 40 JKGB Cc1cc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)c(C)n1-c1ccccc1 408978787 KDJVEHZKDPJBGG-QNBFMKIVSA-N 464.569 5.106 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OCC)c1OCc1ccccc1 409070639 DEWBVLGGPXGUCG-XQNSMLJCSA-N 456.517 6.078 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cn(Cc4ccc(C)cc4)c4ccccc34)cc2c1 409187376 PQNXNSJEJTZPFA-MWLSYYOVSA-N 451.526 5.907 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 409214216 RPNTWADNGKZGQH-DHRITJCHSA-N 485.949 5.078 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1 409224894 LFOAUNWXUINJHA-SFQUDFHCSA-N 496.350 5.565 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 409233276 FESWUMSTYCTFAH-ZMFRSBBQSA-N 475.745 5.513 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccccc3Cl)c2)c(C)c1 409254359 XBQZJJQVCGHQGL-DEDYPNTBSA-N 459.933 5.520 50 40 JKGB Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(F)cc1Cl 650585 JOWVTPPVOSOXRQ-DEOSSOPVSA-N 480.967 6.126 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)c(Cl)c3)c2[C@@H]1c1ccccc1C(F)(F)F 985559 NBTDWEGBGICBKT-OAHLLOKOSA-N 451.235 5.620 50 40 JKGB COc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc(Cl)c1OCc1ccccc1 2162515 XVOHMANLUDWDRJ-OKCVXOCRSA-N 484.939 6.591 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 3232206 JIGNRFPAWPUMOF-APSNUPSMSA-N 492.189 7.425 50 40 JKGB C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)C12CC3CC(CC(C3)C1)C2 8454646 JMDBHEYQWJOVNS-KBVAKVRCSA-N 458.005 6.877 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)c2C)cc1 9259542 ITINAWKNRCZDGP-ZMFRSBBQSA-N 460.361 5.329 50 40 JKGB N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@]12C(=O)N(Cc1cccc3ccccc13)c1ccccc12 9282213 OJRGZMJOCCUGLB-HKBQPEDESA-N 495.542 5.149 50 40 JKGB CC[C@@H](C)c1ccc(-c2cc(C(=O)NNC(=O)c3ccc4c(c3)OCO4)c3ccccc3n2)cc1 13138247 TYNFUTAGDQRZLH-QGZVFWFLSA-N 467.525 5.219 50 40 JKGB O=C(CCc1ccccc1)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 14407670 CNCSPRDWYGOFQV-RWPZCVJISA-N 450.369 6.079 50 40 JKGB O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(CN2CCc3ccccc3C2)cc1 19818143 YYDINKNWXAFEJY-FMFFXOCNSA-N 469.588 6.315 50 40 JKGB C/C(=N\NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1cccc([N+](=O)[O-])c1 20240649 LGNZBOGLWYRMPS-XHLNEMQHSA-N 470.573 5.204 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccc([N+](=O)[O-])cc1 20760166 SZMHJHTVTFHHOZ-AFUMVMLFSA-N 498.333 5.099 50 40 JKGB COc1cc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc(Br)c1OCc1ccc(C)cc1 28217819 UWZRQVORWMHTKM-QNBNLKTOSA-N 497.389 5.183 50 40 JKGB CC(C)c1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 31830377 ZWVWKNXGGNLRMM-MUXKCCDJSA-N 485.367 5.865 50 40 JKGB N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)Sc1nc2ccccc2s1 34828330 HRMGCIZPMHRQBD-UYRXBGFRSA-N 479.424 7.295 50 40 JKGB C=CCOc1c(Br)cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc1Br 34880634 BRHVRWCLBPLWMG-RIYZIHGNSA-N 473.168 6.025 50 40 JKGB CCCCOc1c(Cl)cc(C(=O)Nc2sc(/C(C)=C/C#N)c(C)c2C(=O)OC)cc1Cl 44856907 HBMVFMOFOFYSOE-KPKJPENVSA-N 481.401 6.508 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(F)cc1 59291985 KSGIEHJHXWGEEB-YBFXNURJSA-N 450.897 5.921 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCc1ccccc1 59335097 UYQZMZZCZWADTJ-UQQQWYQISA-N 452.554 6.247 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccccc1C#N 59432707 XLPBLDBZMRIBFZ-ZVHZXABRSA-N 451.526 5.699 50 40 JKGB CCCCCCCCCCCCCCCCCC(=O)N/N=C/c1cc2ccccc2nc1OC 97958890 QVXJBCSNOUZMNB-BGABXYSRSA-N 467.698 7.955 50 40 JKGB CCCCCCCCCCCCCCP(I)(N(C)C)(N(C)C)N(C)C 104158616 POHYDPMJBCHTFA-UHFFFAOYSA-N 487.495 7.021 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408553221 MWVWGDCOWDCBCB-PDGQHHTCSA-N 480.351 5.865 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2)ccc2ccccc12 408734951 LXOPIWDGHSNAJM-CJLVFECKSA-N 452.941 6.926 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCc1cccc([N+](=O)[O-])c1 408746873 XANLTAVFPLBTDK-MOSHPQCFSA-N 473.485 5.127 50 40 JKGB N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1 408760188 UCENWKVTBCIGPT-QGOAFFKASA-N 454.917 5.479 50 40 JKGB O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1OCc1cccc2ccccc12 408766233 SSUGCNKHEKVJQU-LQKURTRISA-N 466.566 5.538 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(Br)cc1OCc1ccccc1F 408806091 AQEUSVZTTPIFDJ-YVLHZVERSA-N 499.311 5.861 50 40 JKGB CCOC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCc1ccccc1 408807455 CYPNUYUNNKAGQC-OVCLIPMQSA-N 465.141 5.261 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(Cl)c1OCc1ccc(Cl)cc1 408808247 FHFYCDIJSZHJQB-UURSIYQISA-N 487.427 6.573 50 40 JKGB CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1 408821171 DDBJXGLPGREPIQ-XSFVSMFZSA-N 481.379 6.907 50 40 JKGB CCCCOc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 408831530 VXFWFYOXPRTEOV-XFAVVLCKSA-N 487.625 5.404 50 40 JKGB O=C(CCc1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 408876677 PTQUPPXIGYZRRG-CVKSISIWSA-N 471.782 5.764 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 408894397 IABOGHBIGGCHIS-KKMKTNMSSA-N 477.775 6.307 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(OCc2ccccc2)cc1 409221535 RPWSCUSHZMQIBL-QYSZHFNSSA-N 475.592 6.458 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)c(Cl)c2)o1)c1ccccc1 409235528 CAABUCVYFWUHRW-RQNDZEIBSA-N 455.739 6.147 50 40 JKGB N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC(=O)C[C@H]1c1ccc(Cl)cc1 409315450 VNWGQFWZAPYHRR-AWEZNQCLSA-N 465.884 5.069 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(I)cc2)c2ccccc12)c1ccccc1 409358549 LLUIRWUZLQCWLW-AFUMVMLFSA-N 479.321 5.058 50 40 JKGB OCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 642882843 CLQXCSLKQRYMDM-RXMQYKEDSA-N 482.071 5.056 50 40 JKGB CSc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)cc1 706068 DDQDOZIRAIJXCM-NRFANRHFSA-N 455.505 5.732 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 2078421 YRNKJTINOXSUMP-DHRITJCHSA-N 468.003 5.771 50 40 JKGB O=C(c1cc(F)ccc1OCc1ccccc1)[C@@H](Br)Cc1ccc(C(F)(F)F)cc1 3138581 PKSUPQVRZCWNQP-FQEVSTJZSA-N 481.283 6.612 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(Br)cc3)c2C)c(C)c1 3175133 VWNDPJYYYZHZEM-LGJNPRDNSA-N 453.384 5.036 50 40 JKGB Cc1ccc(/N=N/c2ccc(O)c(/C=N/NC(=O)c3cccc(Br)c3)c2)cc1C 9355333 DWZVSIDFPXKOJH-ZXSYOUNQSA-N 451.324 5.951 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 9668277 HGZGYSQRFWDSQZ-UDWIEESQSA-N 480.347 6.710 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3cccc(Cl)c3)c3ccccc23)cc1 10315756 YGSRRJMANVKZEA-STBIYBPSSA-N 459.977 5.743 50 40 JKGB CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 10475929 TUWDGZYGWSEFNI-JFLMPSFJSA-N 457.357 5.664 50 40 JKGB C=C/C(=C\C=C/CCl)NC(=O)NCc1cccc(CNC(=O)Nc2cccc(Cl)c2)c1 16138234 BOMVVWUJZDWNPT-SWHXAHRZSA-N 459.377 5.326 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N2CCCCC2)c(C)c1 16713602 QHZGUJUZEWQIOK-RELWKKBWSA-N 454.574 5.556 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C)cc1 20195240 PMHCFRHDQUGKPB-MUFRIFMGSA-N 464.993 5.936 50 40 JKGB CCc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccccc3OC(C)C)c3cccc(Cl)c3n2)cc1 22743513 NBCQFMNEIRKUQS-MZFJOGFUSA-N 486.015 7.059 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccccc1Cl 33871671 KIICWNFKOQJDPO-JFLMPSFJSA-N 465.937 5.040 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N4CCCCC4)cc3)o2)cc1 35387650 BFZYYFZPSDVYPI-GTWSWNCMSA-N 496.611 6.020 50 40 JKGB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1 49942393 ISQNNUZPIXNZBZ-PDGQHHTCSA-N 492.553 5.163 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)ccc1OCc1ccccc1Cl 59255745 MPWUCASLSOOSKI-PXLXIMEGSA-N 468.940 6.626 50 40 JKGB O=C(COc1ccc2c(c1Br)CCCC2)N/N=C/c1c2ccccc2cc2ccccc12 59459332 JJSHCUJGSHSJGO-MUFRIFMGSA-N 487.397 6.163 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 96398835 XKXXBUBGVPERAV-BOPFTXTBSA-N 491.485 6.973 50 40 JKGB C=CCSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 101178736 NGWHSQAGOZMKNL-FUHIMQAGSA-N 484.952 5.493 50 40 JKGB Cc1c(O)c(CN(C[C@@H](C)Cl)C[C@@H](C)Cl)cc(CN(C[C@@H](C)Cl)C[C@@H](C)Cl)c1O 104051036 CRTRJJFNURFWEE-KLHDSHLOSA-N 488.327 5.519 50 40 JKGB O=C(Cl)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 169795631 NZTHZZWLQAQBPF-UHFFFAOYSA-N 494.553 6.074 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1O 206061514 MJDGHCXIWCRNKJ-IZZDOVSWSA-N 456.123 5.406 50 40 JKGB Cc1c(/C=N/NC(=O)COc2ccccc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 408535198 XWOADKVGMMZHAW-CCVNUDIWSA-N 466.368 5.834 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 408579847 KMXNSYINEJCRPM-MHWRWJLKSA-N 474.822 7.132 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(N2CCCC2)cc1 408676581 KVMJXDGZFVEDQU-LQKURTRISA-N 496.380 5.531 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1cccc(F)c1 408735206 OJUXTMUMGWGOGL-YBFXNURJSA-N 450.897 5.921 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Br 408743036 DDVZDVYNHXAJES-ZSOIEALJSA-N 464.157 5.464 50 40 JKGB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2cccc(Cl)c2)o1 408758160 HBCCWQULHSLUBY-RWPZCVJISA-N 455.901 5.218 50 40 JKGB O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)c1ccc2ccccc2c1 408758975 VUUXVLAFRIAJSM-JVWAILMASA-N 473.326 5.585 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 408792381 BCQQUMQSAKJEMQ-XDHOZWIPSA-N 492.329 5.790 50 40 JKGB N#CCOc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1 408841184 FXMHDALVYJNQGW-RWPZCVJISA-N 487.972 5.873 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1 408868735 PXDXEEDTGLQVTQ-MFKUBSTISA-N 453.336 5.191 50 40 JKGB Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3F)cc2Br)c1 408869791 RLERCNRUDBCKMQ-CIAFOILYSA-N 463.350 6.342 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1cccc2ccccc12)C(=O)Nc1ccccc1F 408880126 FXTWLPFJJVLRLJ-KGENOOAVSA-N 456.904 6.757 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OCc1c(Cl)cccc1Cl 408887951 VINZHESBWDAICH-RPPGKUMJSA-N 463.748 5.998 50 40 JKGB O=C(N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1cccc([N+](=O)[O-])c1 408922161 DPWWFSNIVNCPRX-JFLMPSFJSA-N 459.889 5.744 50 40 JKGB C=CCn1c(C)c(/C=N\NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)c2cc(C)ccc21 409039908 XMZFVPUNMNCKKW-MZFJOGFUSA-N 488.591 6.432 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1cccc2ccccc12 409198040 VLDJWLXBRFIRPP-ZMOGYAJESA-N 492.531 5.379 50 40 JKGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 409218522 JITHRPYMQLSSSD-RAWMCFOBSA-N 482.150 6.283 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409225276 NYWNYJUHVLNDKJ-SFQUDFHCSA-N 496.350 5.565 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409255150 ZHTVMPJSKWDEMY-HAHDFKILSA-N 483.568 5.574 50 40 JKGB C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1Br 409315843 KTAPSUMGMZEYMT-YUMHPJSZSA-N 495.373 5.365 50 40 JKGB O=C(N/N=C\c1ccccc1OCc1ccc(Cl)cc1Cl)C(c1ccccc1)c1ccccc1 409390016 BNHDJIXNUIKTPI-MNBJERMJSA-N 489.402 6.855 50 40 JKGB O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1c2ccccc2cc2ccccc12 3145065 OCIRIMJWKFJKDF-OGLMXYFKSA-N 488.385 6.015 50 40 JKGB C/C(CCc1ccccc1)=N/NC(=O)CNc1cc(Br)c(C)c(Br)c1 12372376 WTEKUCCECRUASV-QRVIBDJDSA-N 467.205 5.057 50 40 JKGB CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1 16699813 GBOSUGWZVIMFKR-PXLXIMEGSA-N 466.541 5.390 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 33517134 JTEBTYHGXLWOLY-PDGQHHTCSA-N 453.325 6.127 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1OCc1ccccc1C#N 35169017 YMECDRMJWBLOEB-JMIUGGIZSA-N 454.917 6.048 50 40 JKGB CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 83301802 MJYFQJHPDLTUOK-GLYRRZRCSA-N 466.965 5.282 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCc1ccc(C)cc1 108149115 JWFQBAKFYFYMLM-NHDPSOOVSA-N 478.342 6.108 50 40 JKGB Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)cc2Cl)c1 408540604 AGUBLGLVIOTWIH-OCKHKDLRSA-N 481.335 6.125 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1OCc1ccc(F)cc1 408566995 CDEWAKRJZPMVBK-PXNMLYILSA-N 451.860 6.146 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(I)c1OCC 408724319 AZKXZRMSOJOAFD-ZROIWOOFSA-N 496.732 5.288 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 408724536 BDGRWWNKPVLQQM-UNOMPAQXSA-N 477.904 5.772 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 408727307 ZRTTXQKOYWQRMW-WQRHYEAKSA-N 463.877 5.381 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 408791394 WZSYAOGZKXBUQH-XMHGGMMESA-N 499.910 6.633 50 40 JKGB CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Br 408803794 ANEJKOVUYITTAR-KGENOOAVSA-N 491.385 6.361 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc(Cl)c1OC(C)C 408836040 PLQHEHVJQPLKKA-VIZOYTHASA-N 479.360 5.742 50 40 JKGB O=C(N/N=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cc2cc(Br)ccc2o1 408843325 DHFVCXGTNBJUQI-QDTIIGTASA-N 490.332 6.101 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1cccc(C)c1 408847194 PWVNTNLJDOPUNR-YKQZZPSBSA-N 468.553 6.211 50 40 JKGB C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 408847613 QSCRLLPPNZWCAW-JYRVWZFOSA-N 480.145 5.322 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1OCc1cccc(C)c1 408855546 FCBIOGDPJQIUAQ-XYGWBWBKSA-N 479.580 5.720 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1Cc1ccccc1Br 408864949 BEPHAFCTNNCBQD-KGENOOAVSA-N 479.805 6.801 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 408882128 QAUGIMSWFDJRNZ-PXLXIMEGSA-N 490.581 5.324 50 40 JKGB O=C(N/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1cccc(C(F)(F)F)c1 408962663 JBVPKJKDXFDXEX-VPUKRXIYSA-N 485.264 6.494 50 40 JKGB O=C(N/N=C\c1c2ccccc2cc2ccccc12)c1sc2cc(Cl)cc(Cl)c2c1Cl 408964169 RDUZNWAIIVVAFX-NVJOKUIPSA-N 483.807 7.932 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C 408982493 HJNRPHZPCOKQKL-YVLHZVERSA-N 468.340 5.953 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Cl)c1OCc1ccc(C)cc1 409022246 KSLGMBFZOQJDDK-NUJZUDFISA-N 497.378 6.790 50 40 JKGB CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1 409044888 DAYUBRURJFEUGA-NTEUORMPSA-N 464.157 5.546 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1cccc(C)c1 409049100 WGABRWZZIKAVSN-XSFVSMFZSA-N 489.959 5.610 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2cccc(C)c2C)cc1 409250961 OBIQKZNUZBAQPR-CJLVFECKSA-N 469.541 5.265 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)cc1OC 409314014 JSCWPLJJBUWNQJ-FSGOGVSDSA-N 466.537 5.756 50 40 JKGB N#C/C(=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)c1cccc2ccccc12 409326544 LRXLDVQQUFKSFB-UYRXBGFRSA-N 460.411 7.623 50 40 JKGB OCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 642882938 WFKMXHDSNDRERD-ZCFIWIBFSA-N 496.098 5.446 50 40 JKGB Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc(Cl)cc4)o3)s2)cc1Cl 1454159 SSYJLHUFSQNQFP-LDADJPATSA-N 494.403 7.155 50 40 JKGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(Oc3nc(Cl)ncc3F)cc2)c1 2312223 GNYWOGVBOQXZSQ-XODNFHPESA-N 463.900 5.233 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2C)cc1 2807719 OYHWRMREHABHRC-BIZUNTBRSA-N 487.688 6.786 50 40 JKGB O=C1c2ccccc2C(=O)c2c1ccc(C(Br)Br)c2Br 4266090 KQJKBRKRVRFCLW-UHFFFAOYSA-N 458.931 5.013 50 40 JKGB biogenic N#C/C(=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(-c2ccc(F)cc2)cs1 6060107 DXABKCXZSFFHPI-NTCAYCPXSA-N 483.575 5.183 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1OCc1ccc(C#N)cc1 9202354 QVZFQSUYDOHNBK-RWPZCVJISA-N 492.373 5.371 50 40 JKGB CCn1c(SCC(=O)N/N=C(/C)c2ccc(Cl)cc2Cl)nnc1-c1ccc(C)cc1 9380074 YOYWDXTTWPNFEJ-OYKKKHCWSA-N 462.406 5.213 50 40 JKGB CC(C)(C)c1ccc(OCCOc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2)cc1 9434944 RDBVQDSTECRDML-MTDXEUNCSA-N 450.966 5.859 50 40 JKGB N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@@H]1c1cccc(Br)c1 9693450 HRTBNAFVDQWZBR-QGZVFWFLSA-N 460.784 5.322 50 40 JKGB C/C(=N\NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccc2ccccc2c1O 12601363 SARUQLAFZYJYIU-TURZUDJPSA-N 487.581 5.117 50 40 JKGB Cc1ccc(F)cc1N/C=C(\C#N)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 100843705 OJZZSGLOIPDYPU-GXDHUFHOSA-N 482.334 6.103 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(SCc3ccccc3)N=C3CC(C)(C)CC(O)=C32)cc1OC 103698695 SURNFKCYJOLBOP-DEOSSOPVSA-N 460.599 6.543 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1 408534521 VWMGUHUTZCTSGA-PNQUVVCRSA-N 496.316 6.153 50 40 JKGB COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC 408544721 XCBOVPCEHOQNEY-MOSHPQCFSA-N 482.540 5.279 50 40 JKGB CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1 408767125 JDVFKGKBZVFSGB-NDENLUEZSA-N 481.379 6.905 50 40 JKGB COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 408792557 AXSHWDTYPTUPFW-QGOAFFKASA-N 495.457 5.277 50 40 JKGB CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1Br 408793237 DNXVPSFWKRGXGR-OQLLNIDSSA-N 478.184 5.718 50 40 JKGB COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 408812921 CCISDSCRWRGWLB-CJLVFECKSA-N 482.967 6.935 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Br)c(OC)c1 408866712 ICXIEPWTVNRXEA-HYARGMPZSA-N 475.386 6.157 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1 408880362 HMLJFCIGQLQVDS-XMHGGMMESA-N 466.946 5.270 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Cl)c(Cl)c1 408885695 FCUNCUIOIVZFED-OVCLIPMQSA-N 479.194 7.253 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Cl)c1OCc1cc(C)cc(C)c1 408885886 GJWHBALXUIJXKE-WSDLNYQXSA-N 460.961 6.399 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1cccc(Cl)c1 408891966 WNCQGTMBEWXQPG-STBIYBPSSA-N 458.945 6.235 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 408893470 GHKHYBVUYPJKJE-KPKJPENVSA-N 473.228 5.615 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc2Cl)cc1 408896893 OUDFUUWWOWWZCB-RCCKNPSSSA-N 482.923 6.267 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c([N+](=O)[O-])c1 408923511 JAGBWBDPFUYOFU-GZTJUZNOSA-N 495.333 5.319 50 40 JKGB Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c2C)ccc1Br 408964865 SWUMRBLENUERGN-KKMKTNMSSA-N 478.312 5.948 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1Cl 409052574 KMDYVOZBTUVPPR-RPPGKUMJSA-N 492.200 6.407 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c(Cl)c1 409054945 WQBRFEBJNPMAAH-LUOAPIJWSA-N 482.194 6.952 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)cc1 409075208 XKAPJFGHXXFGIO-SFQUDFHCSA-N 458.880 6.069 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc(Br)c1OC(C)C 409212264 OJPYCGMWGFOGNB-LSHDLFTRSA-N 471.804 5.141 50 40 JKGB Cc1cc(C)nc(SCC(=O)N/N=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)n1 409231000 HMQGSWMGZBPOBX-NTFVMDSBSA-N 469.614 5.410 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OCc1cccc(C(=O)O)c1 409235729 DHYBVNGSLLKAPH-SLCIXIPPSA-N 490.943 5.410 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 409242215 VPVAKLYXLQTTKM-IVKFTBJLSA-N 493.582 6.597 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1cccc(C)c1C 409261550 DOQTXDSIIONSOP-FYJGNVAPSA-N 457.486 5.302 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(F)c2)c(I)c1)c1cccc(F)c1 409391578 ITYLSCDUKLMAGJ-NVMNQCDNSA-N 473.260 6.213 50 40 JKGB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@@H]3C[C@H](Cl)[C@@]2(Cl)C1 627260062 JFNJWGVLTHTDCN-MNGODGMHSA-N 499.607 8.618 50 40 JKGB COC(=O)[C@@H]1C(=O)NC(SCc2cccc3ccccc23)=C(C#N)[C@@H]1c1ccccc1Cl 859119 YNXNPKLFUGMYLD-VXKWHMMOSA-N 462.958 5.164 50 40 JKGB CC(C)(C)c1ccc(-c2cc(C(=O)NNC(=O)Nc3cccc(Cl)c3)c3ccccc3n2)cc1 2105341 WUHJYDNIZWJBBR-UHFFFAOYSA-N 472.976 6.319 50 40 JKGB CCCCOc1cccc(/C=N/NC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)c1 2109655 YTIJTCXMMYGQIN-AJBULDERSA-N 465.597 6.968 50 40 JKGB CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3cccs3)cs2)c(C(=O)OCC)c1C 2193467 OYQINBLEYYYWES-RAXLEYEMSA-N 473.601 5.572 50 40 JKGB CC(C)(C)c1ccc2c(c1)O[C@@H](C(=O)N/N=C\c1cc(/N=N/c3ccccc3Cl)ccc1O)CO2 8721742 NHQJJWXPBFELOA-QJPVRPTFSA-N 492.963 6.049 50 40 JKGB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(C#N)/C(O)=N/c2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 9057491 YERWLMKIQNWHIH-UKTHLTGXSA-N 486.362 6.285 50 40 JKGB Cc1c(Cl)cccc1NC(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)CC(=O)N1 9088674 QQMLQEXPFLNTGW-HNNXBMFYSA-N 490.810 5.122 50 40 JKGB Cc1cc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)cc2)ccc1[N+](=O)[O-] 9846758 JJHZAGFOUFGXHN-JVWAILMASA-N 459.502 5.184 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 14134313 UGNHQUPSVJEJSP-VULFUBBASA-N 487.781 5.844 50 40 JKGB CCOC(=O)/C(C#N)=C\c1cc(OC)c(OCc2ccc(Cl)c(Cl)c2)cc1Br 16682044 QYUSCUGKGBVNLK-AUWJEWJLSA-N 485.161 5.814 50 40 JKGB CC(C)=NNC(=O)c1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 20059492 XTFHBHASQTZWTO-UHFFFAOYSA-N 469.994 5.170 50 40 JKGB CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3[nH]2)cc1 26687389 LKLUGWCJNZQSDA-NKFKGCMQSA-N 473.580 6.905 50 40 JKGB COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1OC(C)=O 31906024 PMCPLXZTYKHMIQ-NSIKDUERSA-N 475.353 6.124 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccc([N+](=O)[O-])cc1 33722251 PBGCJBZQIOKBFJ-STBIYBPSSA-N 499.523 5.498 50 40 JKGB COc1cc([C@H]2[C@@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OCc1ccccc1 36611142 OUUABTOZVPYXLW-FAHANXHHSA-N 492.623 6.140 50 40 JKGB Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(Cl)cc4)N(c4ccc(C)cc4)CN3C2)cc1 40486481 RIFRXCLVTDYZLW-AREMUKBSSA-N 473.045 6.681 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1Cl 59245196 JLZCQFXHNIQLKO-DEDYPNTBSA-N 495.804 6.790 50 40 JKGB O=C(N/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1 59249637 JTUCHIROXMVYIR-YVNNLAQVSA-N 485.190 6.656 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 59426603 NZHNKJPMJVLLQE-CCVNUDIWSA-N 491.802 6.317 50 40 JKGB CCCCCCCCCCCCCCCCN1C=C/C(=C/C=C(/C#N)C(=O)OCC)c2ccccc21 100023618 WQJMOIBRHOOROL-UNVYMFJTSA-N 490.732 8.898 50 40 JKGB N#CC1=C(SCc2ccc(Cl)cc2)N=C2CCCC(O)=C2[C@H]1c1cccc(Cl)c1Cl 104120555 KSUVWEIXKIZFDN-FQEVSTJZSA-N 475.828 7.850 50 40 JKGB CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC 408538324 KZMUACCNADPJBZ-PGMHBOJBSA-N 465.550 6.278 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408565857 BOXKPMXYCKZCBJ-ZSOIEALJSA-N 475.392 5.383 50 40 JKGB CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC 408726350 SFLCJCMYVNQLFB-GDNBJRDFSA-N 463.759 5.836 50 40 JKGB O=C(N/N=C/c1cccc2ccccc12)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 408727889 YQWBYIMWMJPRMI-PPFNPFNJSA-N 492.582 7.123 50 40 JKGB N#C/C(=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1ccc(O)cc1 408790196 UZBMQWDBTNZGIR-GIJQJNRQSA-N 464.308 5.695 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(C)c2)cc1 408793756 GJUBYMDGHDAFQX-KGENOOAVSA-N 491.385 6.281 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1F 408818896 ZESKGZAQDIPXOH-MTJSOVHGSA-N 494.950 5.689 50 40 JKGB C=CCn1c(C)c(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c2ccccc21 408852257 QZIVDKWBMBMHRR-QXPFVDMISA-N 472.592 6.666 50 40 JKGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccccc1OCc1ccc(Br)cc1 408909835 FEJLKJLKKQLRSO-VULFUBBASA-N 467.363 5.174 50 40 JKGB O=C(N/N=C\c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)c1cc2ccccc2o1 408939301 IJHUUVKXIVZOJB-NTFVMDSBSA-N 465.465 5.837 50 40 JKGB N#C/C(=C\c1cn(Cc2c(F)cccc2Cl)c2ccccc12)c1nn(-c2ccccc2)c(N)c1C#N 408975157 INGHQGWRBLCYAJ-QGOAFFKASA-N 492.945 6.186 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(C)cc1 408982608 IHBFPNUYBMRJAM-XKZIYDEJSA-N 460.961 6.480 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cc2cc(Cl)ccc2o1 409018345 LGXXESBVANFEOS-AUEPDCJTSA-N 488.681 5.781 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)COc3cccc4cccnc34)o2)c(Br)c1 409021445 HYMWAHGZTVBZBY-LGJNPRDNSA-N 464.319 5.095 50 40 JKGB Cc1ccc(COc2c(Br)cc(Br)cc2/C=C(\C#N)c2ccccc2)cc1 409050129 ZEGKFLZFYLUFQG-RGVLZGJSSA-N 483.203 7.163 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OCc1ccccc1 409052447 HNYJVEAVXCBHOM-LGJNPRDNSA-N 487.781 5.762 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Cl)c1OCc1ccccc1C#N 409053592 NKPSOGDDXKCZGG-IPPBACCNSA-N 482.367 5.915 50 40 JKGB C=CCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 409191281 GCQJSLGCGDJHPH-JFLMPSFJSA-N 479.920 5.328 50 40 JKGB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1cccc2ccccc12 409217985 GNCPORCNPXARFB-IQAYWSNYSA-N 489.358 6.529 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1C 409260235 NCRPXPDNECXEGY-RGVLZGJSSA-N 491.931 5.955 50 40 JKGB COc1cc(/C=N/NC(=O)c2cccc(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409267195 MHFJSJPTWAGOEO-KKMKTNMSSA-N 477.775 6.307 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1cccc(C)c1C 409267878 PMEIVRPKXSWQNU-HMAPJEAMSA-N 469.541 5.184 50 40 JKGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2cc(Cl)ccc2Cl)C(=O)N1c1ccc(C)cc1 1888413 ABNJWGPLAQUSRZ-AJNNJPABSA-N 461.370 5.291 50 40 JKGB N#CC1=C(SCc2ccc(Cl)cc2)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1Cl 2327843 YPQUVIHTCAVRIW-FQEVSTJZSA-N 475.828 7.009 50 40 JKGB CCOC(=O)c1sc(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)c(C(=O)OCC)c1C 2372002 PDHUHHRDSYPRBZ-VBKFSLOCSA-N 467.572 5.510 50 40 JKGB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1ccc2ccccc2c1 2736979 GLXPROYAUZXTJF-MTDXEUNCSA-N 463.566 5.330 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)ccc1OC(=O)c1cc(F)c(F)cc1Cl 4066929 KQTAVPOXBGRIOJ-OVCLIPMQSA-N 479.870 6.095 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCc1ccc(C(C)(C)C)cc1 8717325 LWNFOOLSZBOEES-RCCKNPSSSA-N 454.595 7.246 50 40 JKGB CCn1c(SCC(=O)N/N=C(\C)c2ccc(F)cc2)nnc1-c1ccc(C(C)(C)C)cc1 12464307 BSMPQHXWLVOTGR-WGOQTCKBSA-N 453.587 5.034 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1cccc2ccccc12 12586136 CJVJAUAGLPKEAU-HMMYKYKNSA-N 493.475 5.521 50 40 JKGB N#C/C(C(=O)Nc1ccc(F)cc1)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 13778582 CQAFRFACGSHYDG-KVHSSYOWSA-N 495.938 5.683 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2N)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 14408891 BFVPSGPAUWIAIG-LQKURTRISA-N 453.502 5.015 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc(Br)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 28217417 IUWBBYVMAKQXRJ-BHGWPJFGSA-N 465.178 5.927 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc5ccccc5c4)c(Br)c3)[nH]c2c1 33792885 DUXRBRZJNCYTRY-QRVIBDJDSA-N 494.392 7.430 50 40 JKGB CCCCCCOc1c(Br)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 34714535 KWEPJEQRHKYJTK-UCQKPKSFSA-N 478.343 5.089 50 40 JKGB CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(I)c1OC 34762834 ZLLXWGMCBJBDIP-MDWZMJQESA-N 494.379 5.965 50 40 JKGB COc1cc(/C=C(C#N)/C(O)=N/c2nc3ccccc3s2)ccc1OCCOc1c(C)cccc1C 41108893 BYLGEALGIXSNHX-RCCKNPSSSA-N 499.592 6.575 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccccc1C 95100369 GMKFPEQZRAIXRX-DEDYPNTBSA-N 455.539 5.738 50 40 JKGB CS(C)(=O)=N[P+](c1ccccc1)(c1ccccc1)[C@@H](/N=N/c1ccccc1)c1ccccc1 97970890 MRKUMUJUVWCEOF-JAGYYYKASA-N 472.574 6.780 50 40 JKGB CC(C)N1c2ccc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)cc2[C@H](C)CC1(C)C 260562980 DTQAOVDHJIOURG-BIOVLPJHSA-N 482.422 6.460 50 40 JKGB COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OCc1cccc2ccccc12 408530036 KUVDSZAHGORHTO-OCSSWDANSA-N 453.542 5.298 50 40 JKGB COc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1Br 408580677 QPQOODIYRCBTSC-ONNFQVAWSA-N 461.968 6.591 50 40 JKGB COc1cc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)ccc1OCc1ccc(Cl)cc1 408613086 ZHAFDVLEGQZASE-HXUWFJFHSA-N 493.991 5.041 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)Nc1ccccc1 408742002 MJOHPKJJMUBBAV-XKZIYDEJSA-N 473.359 7.271 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCc3ccc4c(c3)OCO4)c(OC)c2)cc1 408746864 WXADKOVKLYGUTH-NVMNQCDNSA-N 492.915 5.211 50 40 JKGB Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)cc2Cl)cc1 408790292 ORAQSORUILUEIJ-UDWIEESQSA-N 451.353 6.735 50 40 JKGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC 408793502 PGDRUVJTNQTZER-SFQUDFHCSA-N 471.351 5.357 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccc(Br)cc3)c3ccccc23)cc1 408844494 JNMLYPOSHCKTNA-QNGOZBTKSA-N 484.397 6.615 50 40 JKGB O=C(N/N=C\c1ccc(OCc2ccccc2Cl)c(Br)c1)c1cc2ccccc2o1 408855565 GDYYHDAEGDRHBW-ZMFRSBBQSA-N 483.749 6.192 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(Cc3cc(C)cc(C)c3)c(OC)c2)cc1 408884844 VNZRDASTSZCVQV-LPYMAVHISA-N 474.988 6.501 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2C#N)c1 408885309 ZDGBRHSZADIMAF-VCHYOVAHSA-N 458.861 5.766 50 40 JKGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br 408886144 IJIIUFFTTYGQGM-UFFVCSGVSA-N 472.564 5.194 50 40 JKGB COc1ccc(C(=O)Oc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2OC)cc1 408889572 FJZGGZINCAIVLO-LICLKQGHSA-N 497.334 5.775 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 408899524 QAIQOXFLXNTQMH-LICLKQGHSA-N 474.841 6.623 50 40 JKGB O=C(N/N=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12)c1cccc2ccccc12 408922924 HOVNZIKBFMRCJQ-KEIPNQJHSA-N 480.567 7.489 50 40 JKGB O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)C(O)(c1ccccc1)c1ccccc1 408926625 XGGXLUFFGWEURW-STKMKYKTSA-N 486.571 5.805 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1 409015123 YSDSQMUWGKHOJT-WKIKZPBSSA-N 486.355 5.092 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OC)c1OCc1ccccc1Cl 409076633 BIGQQXYLMRISDK-HZHRSRAPSA-N 472.972 6.510 50 40 JKGB Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3cccs3)c2C)cc(C)c1Br 409196681 XUKSYNSOAKTXGR-YBFXNURJSA-N 468.420 5.758 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1Cl 409254565 IWOVMNBMKRPMBC-VYYCAZPPSA-N 486.355 5.174 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 409262761 JWHMVEFNCIFDNR-MOSHPQCFSA-N 459.933 5.520 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1C 409266256 PLYXFECVRNYAMU-WKIKZPBSSA-N 486.355 5.092 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)c(Br)cc1OCc1cccc(C)c1 409392773 NOJALVSEYWPGFA-NHDPSOOVSA-N 466.350 6.939 50 40 JKGB Cc1cc(C)c2[nH]c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3)c(-c3ccccc3)c2c1 409396293 XNJPXMKXFMWRCL-UHFFFAOYSA-N 487.559 6.435 50 40 JKGB CC(C)c1ccc(/C=N/NC(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 1812188 SEFOOJPFOOTCFE-VULFUBBASA-N 492.695 6.349 50 40 JKGB Cc1c(/C=N/NC(=O)[C@@H]2COc3ccc(C(C)(C)C)cc3O2)c2ccccc2n1Cc1ccccc1 2310512 RPOOVOFKNAOZCK-YVCCNPTBSA-N 481.596 5.586 50 40 JKGB Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccccc3)c(Oc3ccc(C(C)(C)C)cc3)nc12 2333089 BZJFWYJBCHQDTI-OQKWZONESA-N 492.579 5.316 50 40 JKGB Cc1ccc(Cl)cc1N/C(SCc1ccccc1F)=C(/C#N)S(=O)(=O)c1ccccc1 2688699 MYKMNMTVGMKAKD-GHVJWSGMSA-N 472.994 6.299 50 40 JKGB N#C/C(=C\c1ccc(OCCOc2ccc(Br)cc2)cc1)C(=O)NCc1ccccc1 8984496 JRIDHCHDNXYWOF-LTGZKZEYSA-N 477.358 5.130 50 40 JKGB Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C/c4c(C)[nH]c5ccccc45)[nH]n3)cc2)cc1 9374522 MLINKPLPCDNTIV-MUFRIFMGSA-N 463.541 5.518 50 40 JKGB CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(Br)cc1 9909988 GDIQDTMPRZILET-OBKVJGTNSA-N 491.794 5.092 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCc1ccc(Cl)cc1 12660244 WAXYAPKOHXMBSL-DEDYPNTBSA-N 456.929 6.507 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 28217975 UURLWXYGNNCECG-VULFUBBASA-N 499.430 5.588 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cc2cc([N+](=O)[O-])ccc2s1 33680964 OLLZWFABIKGWKZ-LSHDLFTRSA-N 470.850 5.395 50 40 JKGB CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1 59255458 UAXBUZXSPMTOKY-NTEUORMPSA-N 453.258 5.802 50 40 JKGB CCOc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)ccc1OCc1ccc(Cl)cc1Cl 100175521 KCRJPLAKSDPOOS-HIUMRVGUSA-N 475.416 6.248 50 40 JKGB CC(C)Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Br)cc3F)n2)cc1 100843739 XFAHFUBUUXGSDS-ATVHPVEESA-N 456.384 6.887 50 40 JKGB COc1cc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C(C)(C)C)cc1 103592949 BQYGCYQHDAMKLV-LZYBPNLTSA-N 461.514 6.099 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Cl)c1OCc1ccc(Cl)cc1 408543844 RTCMIDGKOBDJGJ-RGVLZGJSSA-N 492.406 7.528 50 40 JKGB C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Cc1sc(C(=O)OCC)c(C)c1C#N 408546334 HBYVFCFAECTULI-CXUHLZMHSA-N 499.386 5.151 50 40 JKGB Cc1cc(C)c(-n2c(C)cc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)c2C)c(C)c1 408570534 WMAOFKPTTDYVDF-RWPZCVJISA-N 493.698 6.027 50 40 JKGB CC1(C)Cc2cc(/C=N\NC(=O)c3ccc(-c4csc(Nc5ccccc5)n4)cc3)ccc2O1 408710788 KKMXOHMAFQHOKL-NTFVMDSBSA-N 468.582 6.031 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Br)c1OCc1ccccc1Cl 408728439 MKYHSJDNIZAAQU-BRJLIKDPSA-N 491.769 5.746 50 40 JKGB COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2)c1 408735955 ZXPJUYTWOJZALR-XDHOZWIPSA-N 462.933 5.790 50 40 JKGB Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2I)c1 408742897 QKWVTUXFACMLKP-MOSHPQCFSA-N 494.332 5.724 50 40 JKGB COc1cc(C(=S)N2CCCCC2)cc(Br)c1OC(=O)/C(C#N)=C/c1ccccc1 408753281 NLPRUSGRINHAEY-LDADJPATSA-N 485.403 5.132 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1C#N 408788478 DGAVOFYCBOJYLN-RGVLZGJSSA-N 492.362 6.388 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCc1ccccc1 408793226 DMUATYNXNHSOQP-WOJGMQOQSA-N 497.776 6.236 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OC(C)C 408801905 WREGFCBXCWNBKN-VCHYOVAHSA-N 457.368 5.798 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OCc2ccc(Cl)cc2Cl)c1 408809946 STOPHTYFTQKEGD-RQZCQDPDSA-N 498.322 6.035 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OCc2ccc(C)cc2)c1 408866746 IOVSTRHHNNHIBU-UDWIEESQSA-N 466.459 6.147 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)c([N+](=O)[O-])c1 408878610 CFPSUYVKOVPHNJ-LICLKQGHSA-N 498.322 6.035 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)c(Br)c2)cc1 408880830 KZJPSCVOFUJEML-OEAKJJBVSA-N 489.413 6.753 50 40 JKGB Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 408885490 AUKSRXIWACYGBD-QGOAFFKASA-N 451.309 6.067 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(F)cc1 408889314 CIVLAVOZBKGLHH-WOJGMQOQSA-N 485.342 6.656 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2Br)c1 408896175 PTYHJDPMJDTODD-UDWIEESQSA-N 495.804 6.844 50 40 JKGB Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1 408944262 UQSVEOKUUHRDQD-RPPGKUMJSA-N 457.361 5.107 50 40 JKGB CCN(CC)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)cc1 408965293 JYXCPIHLRAACDY-JVWAILMASA-N 473.533 5.359 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccccc3C#N)c3ccccc23)cc1Cl 408983131 KUAIKYKSCSJWOZ-XKZIYDEJSA-N 464.956 6.377 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 409192405 WVZFBZBBPSSTQP-HMAPJEAMSA-N 475.545 5.267 50 40 JKGB N#C/C(=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 409230663 FDPPQSXCXYDEQR-YBFXNURJSA-N 464.327 6.681 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCC(=O)O 409332488 FZDPEQRWDPGMAR-SXGWCWSVSA-N 489.753 5.149 50 40 JKGB Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c2)cc1C 409377369 GZNMJPSBRYIKRQ-IPPBACCNSA-N 469.463 5.104 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409392713 NGIZEYVRYVPDQL-GRSHGNNSSA-N 452.869 6.429 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 1190179 XMSPYIBBMGHFPK-QGOAFFKASA-N 497.336 5.253 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cc2c(ccc3ccccc32)o1 2162355 HNFZPRYHSWBJLP-LQKURTRISA-N 465.465 5.837 50 40 JKGB N#C/C(C(=O)c1ccccc1)=C1/S[C@H](Cc2ccc(Br)cc2)C(=O)N1c1ccccc1 2348987 CHLRUSZPGBCUEZ-CKVBZJJFSA-N 489.394 5.758 50 40 JKGB Cc1ccc([C@@H](Br)[C@H](Br)C(=O)c2ccccc2OCc2ccccc2)cc1 3138090 NQMMFKFBNQKYOM-YADHBBJMSA-N 488.219 6.656 50 40 JKGB C[C@@H]1C[C@H](N(NC(=O)C(F)(F)F)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 9144877 BAMJKXHZEOGFMC-VGSWGCGISA-N 453.464 5.267 50 40 JKGB O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(CSc2nc3ccccc3[nH]2)cc1 13148360 UVJSKCMVTNGPNY-UHFFFAOYSA-N 471.369 5.237 50 40 JKGB Cc1ccc(/N=N/c2ccc(O)c(/C=N/NC(=O)COc3ccc(-c4ccccc4)cc3)c2)cc1C 13943697 NXUVTFSWADTKRN-YJALFHQPSA-N 478.552 6.621 50 40 JKGB CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Cl)c1OCc1cccc(C#N)c1 20195245 DMTZMHPBFXXFBH-OKCVXOCRSA-N 475.976 5.499 50 40 JKGB Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(Br)cc3)o2)cc1 34835260 SYZMKGPZSGQPMU-DICXZTSXSA-N 492.373 5.793 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Br)cc1)c1ccc(Cl)cc1 58871541 GXGFMVISIREAJB-ZMOGYAJESA-N 456.727 5.119 50 40 JKGB COc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(/C=N/NC(=O)c2ccccc2OC)c1 59417185 UQXXTNLCKLJMKQ-UVHMKAGCSA-N 489.406 5.187 50 40 JKGB CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Cl)CC)CC[C@]4(C)[C@H]3CC[C@]12C 70697655 JKEJJFJGGOFWEL-RLSCSOTISA-N 491.200 9.245 50 40 JKGB biogenic CC1CCN(C(=O)[C@@]23CC[C@](C)(/C(=N\NC(=O)c4ccc(Br)cc4)C2)C3(C)C)CC1 101039746 YGRMXTYHNVJECM-UKDRFDNPSA-N 474.443 5.010 50 40 JKGB C[C@H](C1=C(P(c2ccccc2)c2ccccc2)CC=C1)P(C1CCCCC1)C1CCCCC1 148150004 ALPYQOCMZBZAJX-RUZDIDTESA-N 474.609 8.869 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 209279611 RVKNMVMLKGHOCG-ZHZULCJRSA-N 462.933 5.872 50 40 JKGB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H]5CC[C@H]4[C@@]3(CO5)C(=O)[C@H](Br)[C@]12C 263596567 FUKGALSZILDDJS-JMFYIZMTSA-N 481.471 5.166 50 40 JKGB Cc1cccc(-n2nc(C(=O)N/N=C/c3cccc4ccccc34)cc2-c2cccc3ccccc23)c1 408723925 ANVOGGCEBPWNHM-QNKGDIEWSA-N 480.571 6.918 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1 408757547 ZQDBVMZKAADRDB-DHRITJCHSA-N 487.737 5.094 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)Nc1ccc2ccccc2c1 408766670 WLIDXDDCMNXMBL-SFQUDFHCSA-N 488.297 6.316 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Br 408787498 AZEUIZOLFMJSIW-CXUHLZMHSA-N 488.179 5.386 50 40 JKGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Br)cc1 408797919 HHHKUWRHCMDSTJ-GGYPHYNPSA-N 453.380 5.630 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1c(C)cc(C)cc1C 408806289 IPWUIPJNJZRDKH-YZSQISJMSA-N 468.597 5.855 50 40 JKGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OC 408815916 VWSKLBSSSJUMDG-COEJQBHMSA-N 463.537 5.237 50 40 JKGB CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2ccccc2F)c1Cl 408819465 SKQQJEYVHCGAAG-OPEKNORGSA-N 464.280 5.410 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccccc1Cl 408819801 UBLWJCSTUFRTRL-JLPGSUDCSA-N 472.972 5.879 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2)c(OC)cc1Cl 408822890 CINRZPAGFKSFNO-VCHYOVAHSA-N 483.351 6.135 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Br)ccc4o3)c2C)c1C 408848483 ZGLVMROFDLJAFF-ZMFRSBBQSA-N 464.363 5.984 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)ccc1Cc1ccccc1Br 408875513 JMIPEIZADGPUHC-HZHRSRAPSA-N 489.413 6.547 50 40 JKGB CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1 408906636 CPEWAYIQRCALFP-FOGHPNEFSA-N 474.344 5.061 50 40 JKGB COc1cccc(CC(=O)N/N=C\c2cc(Br)c(Sc3ccc(C)cc3)o2)c1 408914932 RUOYIALLYTWGFJ-QRVIBDJDSA-N 459.365 5.203 50 40 JKGB CC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2C)c1 409040104 SHYZNUCGNPHEJB-MZFJOGFUSA-N 486.575 6.276 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)c(Cl)c1 409052111 IJPXCKOATYMOOE-RPPGKUMJSA-N 492.200 6.407 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OS(=O)(=O)c1ccccc1)c1nc2ccccc2o1 409075498 RCOAGGMHYZISGB-FOWTUZBSSA-N 481.327 5.422 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)c1 409081752 KYIZALKTEJYMEF-MHWRWJLKSA-N 478.848 5.803 50 40 JKGB CN1C(N)=C(C#N)[C@@H](c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C2=C1CCCC2=O 409122699 AYNBNBBLZQYGET-OAQYLSRUSA-N 488.802 5.956 50 40 JKGB Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)o2)c(Br)c1 409232140 OEXCILHCTCOFHQ-BHGWPJFGSA-N 457.711 6.181 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccc(C)cc1C 409263385 KOTDDPCTCFBXFD-HMAPJEAMSA-N 469.541 5.184 50 40 JKGB O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1)[C@@H](O)c1ccccc1 409347167 MWTVDJZYMVCVJJ-SXFMOBQTSA-N 489.369 5.365 50 40 JKGB Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Br)cc1 409377781 JVCCODDRMMGJOS-MOSHPQCFSA-N 450.336 5.124 50 40 JKGB CCOc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 409393236 WGMLXKZLKBWQCE-KBVAKVRCSA-N 487.987 6.033 50 40 JKGB N#C/C(=C\Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2ccc3c(c2)OCO3)cs1 1297390 QWACWAGCPNGDKH-UKTHLTGXSA-N 483.427 5.641 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)(F)[C@H](F)Cl)n2)cc1 2284827 ZRHUUWYVJSZNHF-IXDOJHRFSA-N 465.884 6.301 50 40 JKGB N#C/C(C(=O)NCCc1ccccc1)=C1/S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccccc1 2311713 TXBRBMYFUFTBRY-MZOFLMDJSA-N 488.012 5.125 50 40 JKGB CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3Cl)CC(=O)N2)cc1 2312139 KBLXTXLLKDWGEF-KRWDZBQOSA-N 476.385 5.103 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@H](Nc1cccc(C(F)(F)F)c1)c1cccs1 2577595 GLZCFILEGRNGAY-QHCPKHFHSA-N 457.457 6.892 50 40 JKGB Cc1cc(SCC(=O)N/N=C/c2cccc(Br)c2)c(C)cc1Br 3231970 GWVLVKXWUDQIFQ-AWQFTUOYSA-N 456.203 5.071 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 3232205 JIGNRFPAWPUMOF-FRKPEAEDSA-N 492.189 7.425 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1Oc1nc(Cl)ncc1F 4065280 KYFRDMMZCWIQLL-CCVNUDIWSA-N 479.899 5.015 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 6148467 BTFABNPKRVFUFL-LDADJPATSA-N 482.403 5.831 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccc([C@H](C)CC)cc2)ccc1OCc1ccccc1 10059268 FFEXNSCEVFEPHP-LJVLJBDNSA-N 460.574 5.707 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(Cl)c1OCc1cccc(C)c1 13897922 VTLCUFANYUSZFP-YBFXNURJSA-N 476.916 5.480 50 40 JKGB Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)CSCc3ccccc3)c2C)cc1 20243608 PEUBYBWCKRAJHM-DHRITJCHSA-N 470.436 5.549 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccc(F)cc1 33600091 CBOWQDZVHYBLQX-ZDLGFXPLSA-N 492.348 6.425 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)NCc1ccccc1 59266562 XULRHEGVCWHQQG-LDADJPATSA-N 451.309 5.436 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1 59303681 HJPRGWLRVIZDBD-ZCTHSVRISA-N 489.531 6.175 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccc(Cl)cc1Cl 59336332 KVNAIFQFDFMXLB-DHDCSXOGSA-N 479.194 7.253 50 40 JKGB Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1 59432985 PVLNNFBSOCOXMY-UDWIEESQSA-N 451.353 6.735 50 40 JKGB C=CCSC1=C(C#N)[C@H](c2ccccc2Cl)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 101178735 NGWHSQAGOZMKNL-ABSDTBQOSA-N 484.952 5.493 50 40 JKGB CCCCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC 107734790 CJIYVTHRCHPTCU-XMHGGMMESA-N 475.416 7.287 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(F)cc2Br)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 107962852 YFLCXRVLUURJRW-UKTHLTGXSA-N 496.361 6.206 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1)c1ccccc1F 108088531 JRCJDVDGUDLPFO-WQRHYEAKSA-N 499.279 5.772 50 40 JKGB COc1cc(/C=N\NC(=O)c2ccc(C)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 209605205 IYEMLNSINAKXJO-MXAYSNPKSA-N 498.333 5.017 50 40 JKGB O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl 408534705 WMDPTKWVZCLEFQ-PNQUVVCRSA-N 496.316 6.153 50 40 JKGB Cc1c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c2ccccc2n1Cc1ccc(Br)cc1 408567743 PMHFMHCPDFFBST-PDGQHHTCSA-N 485.360 6.840 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(Br)c1OCc1ccccc1 408568861 XDODDOFGJKGQSG-UUYOSTAYSA-N 459.343 6.363 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OCC(=O)O 408579945 LTXCZHWZYKVKEQ-NYYWCZLTSA-N 457.107 5.292 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1-c1ccc2ccccc2c1 408725477 PYKJUNOOLOZVLM-RDRPBHBLSA-N 475.508 5.673 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1 408742603 BNHTXECVKAQOID-PDGQHHTCSA-N 454.357 6.345 50 40 JKGB CCCCc1ccc(-n2c(C)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1 408749860 JQJZIGSDWSUGPX-JDCMOKTRSA-N 479.624 5.823 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)Nc1ccccc1 408755505 VFPBJNSOJRAQPQ-CJLVFECKSA-N 454.507 5.153 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)c1 408805072 DBDRRYMWMGPENK-WOJGMQOQSA-N 471.771 7.080 50 40 JKGB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408805674 BPSNAQHTOZMDLP-SGJSAWMESA-N 466.412 6.598 50 40 JKGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC 408814854 SLTRRRXPEYIZFC-PXLXIMEGSA-N 490.987 6.652 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccccc1 408843310 DFGYCQNSZJKIPJ-DICXZTSXSA-N 493.357 5.937 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1 408884940 ZFWZXWYCDCNADI-WOJGMQOQSA-N 461.861 5.322 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OCc1ccccc1 408894830 JECDGHFBQJZXFJ-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409047562 OIPYDKIUMCKQEX-XDHOZWIPSA-N 477.904 5.729 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4cccc(C(=O)OC)c4C)c3C)cc2c1 409187212 NMPMJBATNASFKS-MBTHVWNTSA-N 473.529 5.098 50 40 JKGB O=C(/C=C/c1ccccc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl 409220142 YOYOMPGQRRVEEM-OBXBUNPFSA-N 473.743 6.030 50 40 JKGB CCOc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(OC)cc2)cc1OCC 409226465 SUTNCMMYXIKOEI-NTFVMDSBSA-N 496.947 5.129 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2)cc1Cl 409257915 UQHANMBKJWSYNA-MOSHPQCFSA-N 459.933 5.520 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)c1 409266004 JALZITKJMPJGPU-BKUYFWCQSA-N 473.960 5.828 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)cc1 409379766 ZHIKTCDYNHCQES-QGOAFFKASA-N 493.922 5.441 50 40 JKGB COc1cc([C@H]2C(C#N)=C(SCc3ccccc3)NC3=C2C(=O)CCC3)cc(OC)c1OC 1476128 RUYFJRRDKVULKZ-QHCPKHFHSA-N 462.571 5.075 50 40 JKGB O=C(NN=C1c2ccccc2-c2ccccc21)c1ccc(COc2ccccc2-c2ccccc2)cc1 3246761 HUMAQLRBTOOBCV-UHFFFAOYSA-N 480.567 7.095 50 40 JKGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1Sc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1 6088293 QKLZMKOHJYNQJE-LDADJPATSA-N 457.920 5.133 50 40 JKGB CCCCCCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1 9007700 IVFHZYMSTRKFGM-XDJHFCHBSA-N 475.570 6.252 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCCC1 9057028 LBKMNHAXDKJGGH-LDADJPATSA-N 484.350 5.292 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 9200767 PIPIDSPVSNPHBT-KKMKTNMSSA-N 477.775 6.307 50 40 JKGB O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccc(F)cc1)N2 12375673 SIPUAVBPFFADQX-FPVDIDMMSA-N 498.963 6.471 50 40 JKGB N#C/C(=C\c1ccccc1OCc1c(F)cccc1Cl)C(=O)Nc1ccccc1C(=O)O 12468488 GRBIONPXZKYSME-FOWTUZBSSA-N 450.853 5.302 50 40 JKGB COc1ccc(Cl)cc1C(=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1 13095563 CYOQPBKLVBUMEK-IPPBACCNSA-N 490.865 5.592 50 40 JKGB COc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(/C#N)C(=O)Nc2ccccc2C)cc1 33573762 YZFOMZQGWAVTFR-UYRXBGFRSA-N 475.932 5.220 50 40 JKGB COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 33696093 OCJRDLPYSQIKCX-MHWRWJLKSA-N 493.350 5.960 50 40 JKGB CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4cccc5ccccc45)ccc32)cc1 38682467 GAUNVZPRXDOICE-SANMLTNESA-N 464.546 5.999 50 40 JKGB O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 58914696 KZVNJDVOKDIMOL-MBTHVWNTSA-N 494.334 6.135 50 40 JKGB CC(C)(C)C1CCC(=NNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)CC1 59472810 VDVPDBAABDWGAI-UHFFFAOYSA-N 476.042 5.244 50 40 JKGB O=C(N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1)c1ccccc1Cl 59500708 NBPFRYGPFGWYNX-LGJNPRDNSA-N 469.349 6.191 50 40 JKGB COc1ccc(/C=N/NC(=O)CN2CCn3c4c(c5cc(C6CCCCC6)ccc53)CCC[C@H]42)cc1 61992922 VAMSSRSUXVXOMV-RYBVODPGSA-N 484.644 5.541 50 40 JKGB biogenic COc1ccc([C@H]2CC3=Nc4ccccc4N(C(=O)CCl)[C@@H](c4cccc(F)c4)C3=C(O)C2)cc1 101494623 JHVMGDSLCHCUKQ-VKGTZQKMSA-N 490.962 6.623 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)cc1 408580653 DMXNDBFRUCPJNB-LDADJPATSA-N 453.325 6.084 50 40 JKGB O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 408727261 VLBSKFGNDRAUPT-MTDXEUNCSA-N 461.481 5.365 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc([N+](=O)[O-])c(Cl)c3)c2C)cc1 408744861 NRWYETAMGRTWKU-PDGQHHTCSA-N 464.909 5.600 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(F)cc1 408752291 HLJWKFKAUBLBAF-UNOMPAQXSA-N 495.348 6.112 50 40 JKGB N#C/C(=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1ccc(Br)cc1 408757981 FGWDONZGWTUIFB-ATVHPVEESA-N 481.733 5.867 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccc(F)cc1 408857294 LQXORAUPAGPVFU-GZTJUZNOSA-N 485.740 6.366 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1Cc1cc(C)cc(C)c1 408877201 STKTUOFFJBYMBB-FSJBWODESA-N 458.989 6.719 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)c(Cl)c3)o2)cc1Cl 408982570 HYTSNXNTQBNKMJ-ZSOIEALJSA-N 476.157 6.870 50 40 JKGB N#C/C(=C\c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1)C(=O)Nc1cccc(Cl)c1 408993534 VZNRCYYMYVYGFF-XYOKQWHBSA-N 482.930 6.148 50 40 JKGB CCOc1c(Br)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1 409043860 AYWNELAXGODFAX-RIYZIHGNSA-N 464.157 5.464 50 40 JKGB N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(O)cc1 409049727 YBVOHTOPKNEBKB-CXUHLZMHSA-N 484.295 5.732 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OCc1ccccc1 409069367 XJJYASHSXMTFKT-HYARGMPZSA-N 458.945 6.202 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(Cl)c1OCc1ccccc1F 409143996 NSNBQUMAELPERZ-JOCHJYFZSA-N 468.912 5.272 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)cc2)cc1OCC 409321696 HBFGZGQFOPRZRB-YUMHPJSZSA-N 497.389 5.589 50 40 JKGB CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)ccc1OCc1ccc(Cl)cc1Cl 409366349 UMYVRZDLZDICOW-DHRITJCHSA-N 499.485 6.008 50 40 JKGB Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccs3)n2-c2ccc(Cl)cc2)cc1 1857476 JRIYXSIAJXUGDE-ZMOGYAJESA-N 468.007 5.200 50 40 JKGB COc1cc([C@@H]2CC(=O)NC(SCc3ccc(Cl)cc3)=C2C#N)cc(Br)c1O 2347293 BKSPGUWMMCOTNN-AWEZNQCLSA-N 479.783 5.089 50 40 JKGB N#CC1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1c(Cl)cc(Cl)cc1Cl 4292589 AUDQHQPZJUABRT-AWEZNQCLSA-N 485.680 6.069 50 40 JKGB biogenic O=P(c1ccccc1)(c1ccccc1)c1nc(-c2ccc(Cl)cc2)oc1-c1ccccc1 8435159 FAXGMXXVYTYMCL-UHFFFAOYSA-N 455.881 6.301 50 40 JKGB O=C(N/N=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1)c1ccccc1 9311046 MKOGIFRRLIPYIA-YQYKVWLJSA-N 486.531 6.483 50 40 JKGB CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(I)cc3)n2)cc1 9353366 POTMVXGENSWGRJ-FOWTUZBSSA-N 457.340 5.954 50 40 JKGB N#CC1=C2SCN(c3cccc(Cl)c3)CN2C(=O)C[C@@H]1c1cccc(OCc2ccccc2)c1 12251008 NQNHXPONNIWRBG-XMMPIXPASA-N 488.012 6.138 50 40 JKGB N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@H]1c1ccc(OCc2ccccc2)cc1 12251073 HGENJIDZTYEFFT-DEOSSOPVSA-N 488.012 6.138 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Br 14151774 VSZNQPITTUFZHO-XNTDXEJSSA-N 468.376 5.372 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCCOc1cc(C)ccc1C(C)C 16157731 IUYPLQWXIHWUPC-HKOYGPOVSA-N 484.596 6.521 50 40 JKGB Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)COc3ccccc3)c2C)c1 20243706 ZPTASZIXQDKAIQ-DHRITJCHSA-N 454.368 5.003 50 40 JKGB CO[C@@H](C(=O)N/N=C/c1c(Br)c(C)n(-c2ccc(C)c(C)c2)c1C)c1ccccc1 20243809 RUPSIKXETPGBAW-SIBVSACJSA-N 468.395 5.311 50 40 JKGB O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 20248253 ZXZTXJKFGHPTCN-KKMKTNMSSA-N 493.843 6.609 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(CSCc4ccccc4)cc3)c2C)cc1 28216942 TXYQPWZUBZPRJB-UXHLAJHPSA-N 467.638 6.600 50 40 JKGB CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1Br 33410052 FPYPZRAECPNDND-JYRVWZFOSA-N 480.156 5.165 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cccc2ccccc12 59534952 HVCUQWXCKMMXHG-PXLXIMEGSA-N 452.485 6.112 50 40 JKGB O=C(CCCl)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cccc(Br)c1 89774401 ADDVMWHJFKPDCG-QGZVFWFLSA-N 470.592 5.518 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc([N+](=O)[O-])cc1 209658785 VUOFEOOFTXVHLC-PDGQHHTCSA-N 471.542 5.360 50 40 JKGB Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc2ccccc2c1 408744588 MEWYPXNLQUUZKN-HMAPJEAMSA-N 470.370 6.556 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1 408760499 ZSEOJDMNVYXXAI-LDADJPATSA-N 480.351 5.865 50 40 JKGB Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c(-c2ccccc2)n1-c1ccccc1 408772554 MYBOMQIDEMXYEX-RZWVCBRNSA-N 468.564 5.660 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1C 408788923 NCPZLRHLXRNGGS-UDWIEESQSA-N 461.905 5.990 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1 408789816 MAJVMIAJSBYWAO-XDHOZWIPSA-N 481.777 6.536 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 408807522 DAFSZRBFBWDWGH-SYVPYPDPSA-N 471.513 5.357 50 40 JKGB Cc1ccc2nc(Sc3ccc(/C=N\NC(=O)c4cc5cc(Br)ccc5o4)o3)[nH]c2c1 408817417 LNYIGQNKXXIMOJ-MYKKPKGFSA-N 495.358 5.888 50 40 JKGB COc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3sc4cc(C)ccc4c3Cl)cc2)cc1 408841351 GLAAPFAUOQTWRM-UHFFFAOYSA-N 493.972 5.199 50 40 JKGB O=C(N/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1cccc(F)c1 408846387 JBEDLNBNWCWESN-LSHDLFTRSA-N 453.720 5.750 50 40 JKGB N#C/C(=C\c1c(OCc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccccc1Cl 408899221 ZYEFGSXDCFOIKK-HMMYKYKNSA-N 473.359 7.271 50 40 JKGB O=C(COc1ccccc1Cl)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408909528 DKVDEWXJFQEYGU-RPPGKUMJSA-N 491.744 5.350 50 40 JKGB CCOC(=O)/C(C#N)=C/c1ccc(Sc2nc3ccc(OCC)cc3s2)c([N+](=O)[O-])c1 408987200 ATVDOBXFRUJYSK-NTEUORMPSA-N 455.517 5.224 50 40 JKGB O=C(N/N=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1cc2cc(Cl)ccc2o1 409024429 YAJBYEJGPJDFKQ-WKIKZPBSSA-N 472.888 5.761 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409044147 BAMOTLAQUIFIHD-DEDYPNTBSA-N 489.959 5.610 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)ccc1OS(=O)(=O)c1ccc(C)cc1 409070196 XXOKZBMKSCWAPW-XMHGGMMESA-N 460.511 5.367 50 40 JKGB CCOc1cc(/C=N/NC(=O)CCSc2ccc(C)cc2)ccc1OCc1cccc(Cl)c1 409130378 HGUAMEVQLLOXRH-OGLMXYFKSA-N 483.033 6.259 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(F)c1 409191240 FABHEQVHWRPPEK-UVHMKAGCSA-N 461.320 5.874 50 40 JKGB Cc1cccc(COc2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)cc2I)c1 409208266 AAUKBIDCAXCIPM-NDENLUEZSA-N 496.304 6.151 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1 409227387 YBPVXZMKODBGEZ-CPNJWEJPSA-N 475.932 5.220 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccccc3)cc2Cl)cc1Cl 409258551 VJRQQKRDZRASDF-ZMFRSBBQSA-N 456.329 5.083 50 40 JKGB CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)ccc3C)=C2C#N)cc1 409326240 IUIOFSVVPQXZMQ-QGZVFWFLSA-N 458.008 5.081 50 40 JKGB Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(I)cc3)o2)cc1[N+](=O)[O-] 409371933 MQYDNLVPDMLGMV-YBEGLDIGSA-N 456.239 5.832 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409390611 GEKAHJXSVCHOHC-GRSHGNNSSA-N 497.320 6.538 50 40 JKGB COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C)cc3Br)n2)cc1OC 1242470 DFKGWVWDQOZIAT-RVDMUPIBSA-N 456.365 5.875 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccccc1Cl 2128740 JTRWDPHBDWWRKW-VWLOTQADSA-N 476.916 5.265 50 40 JKGB CCCCCc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 3167601 OZIYHVWBDVYSGL-FSJBWODESA-N 498.215 5.179 50 40 JKGB O=C(N/N=C/c1ccccc1Br)c1ccc(CSc2nc3ccccc3s2)cc1 3288215 BDCAKIWEHKYTSH-ZMOGYAJESA-N 482.428 6.115 50 40 JKGB Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CCN2c3ccccc3Sc3ccccc32)c1 3318855 DGWFTOJJMWRQBI-UHFFFAOYSA-N 475.614 5.338 50 40 JKGB O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NNC(=S)Nc1ccc(Cl)cc1 8437558 KIDPVKSWVHKDFW-UHFFFAOYSA-N 469.444 5.227 50 40 JKGB CC1=C(C(=O)Nc2cccc(C)c2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccccc2)N1 9512248 JWKFLXJAQQRYMM-VWLOTQADSA-N 484.581 5.295 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1 15223236 BZYGKSWOQQLQKN-ATVHPVEESA-N 467.403 6.260 50 40 JKGB Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl 28216513 JKSNXWZOJGGRJP-PZIWGWIQSA-N 480.848 6.685 50 40 JKGB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)o1 96401674 AVCVHCRGXNYZJX-ATVHPVEESA-N 462.431 6.005 50 40 JKGB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 100844467 OVJOEFOKERIQPI-TUMTZTIRSA-N 459.590 5.985 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3)N=C3CCCC(O)=C32)ccc1O 102883026 XEUKXKWRKXHMRM-JOCHJYFZSA-N 452.963 6.257 50 40 JKGB COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OCc1ccc(Cl)cc1Cl 113830981 PRASCIQRNNFKOK-LICLKQGHSA-N 450.325 6.521 50 40 JKGB COc1ccc(Cl)cc1N(CC(=O)NN=C1CCCCCCC1)S(=O)(=O)c1ccc(C)cc1 408721415 GXSNUIWBNJFUAF-UHFFFAOYSA-N 492.041 5.069 50 40 JKGB N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)C(=O)Nc1ccc(Cl)cc1 408743487 AMLIVIWBUWYQRZ-XFFZJAGNSA-N 462.676 6.361 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 408791296 VSBUYYGTLRMOAJ-VXLYETTFSA-N 494.906 5.399 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2cccc3ccccc23)ccc2ccccc12 408802797 HNNINPOBWZHXSZ-LGUFXXKBSA-N 468.556 7.426 50 40 JKGB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1OCC 408811382 NNPNQOQPMZRIFS-XNTDXEJSSA-N 463.759 5.836 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1cc(OC)ccc1OC 408813540 UPYOOBUWXRQENF-KMUCBOENSA-N 486.568 5.466 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 408815152 RSNXAWIMPSXQJB-BKUYFWCQSA-N 462.933 5.160 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 408861061 LYDMDICLBXZWRB-WOJGMQOQSA-N 494.809 7.504 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Br)c(Cl)c1 408873393 QMFYEPRTWFBDEO-FYJGNVAPSA-N 479.805 6.801 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2F)c(Br)c1 408885611 CUWDGOAFLGCAHL-DEDYPNTBSA-N 479.349 6.275 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1OCc1c(Cl)cccc1Cl 408892728 CQMMFEQFUWWPGB-MUFRIFMGSA-N 494.378 6.136 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1Br 408897762 TTZRKELAMVDNKK-DEDYPNTBSA-N 477.358 5.891 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccc(C)cc1 408968882 ZWJSNXBCIUMGME-IPPBACCNSA-N 465.912 5.401 50 40 JKGB CSc1ccc(/C=N/NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 408969421 NJBOWQCEUHBKPN-AGBLLEEGSA-N 496.460 5.164 50 40 JKGB COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Br 408984406 QOMAPNPQOYWLIG-ACAGNQJTSA-N 498.160 5.162 50 40 JKGB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1Br 409040700 HSRJBBAMRMRQOW-CXUHLZMHSA-N 478.184 5.224 50 40 JKGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1C 409067116 JIZDDJZUBPSEIE-OCSSWDANSA-N 462.553 5.021 50 40 JKGB Cc1[nH]nc2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c1)C(C#N)=C(N)O2 409145461 IJZABLVMUCFTBZ-LJQANCHMSA-N 461.736 5.476 50 40 JKGB C=CCOc1c(Br)cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1OC 409185380 YCGXDMCBBGQXFX-YDZHTSKRSA-N 483.815 5.308 50 40 JKGB N#Cc1ccccc1COc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Cl 409232758 PMUIDTAAQSZEBD-QDTIIGTASA-N 456.304 5.276 50 40 JKGB COc1ccc(SCC(=O)N/N=C\c2ccc(-c3ccc(C)cc3Br)o2)cc1 409240170 FSZZIKJTDCEBNZ-FMCGGJTJSA-N 459.365 5.269 50 40 JKGB Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2)c1 409259388 ZEFFWXOZLNBVOH-ZHZULCJRSA-N 459.933 5.520 50 40 JKGB Cc1cccc(NC(=O)COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)c1 409261143 AMCMGUPJWJGSPF-LICLKQGHSA-N 498.341 6.004 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 409360157 LVYXIFULFHNQHX-YUMHPJSZSA-N 481.390 5.428 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OC)c(Br)c3)[nH]c2c1 409392881 SSYIJMWIPVEIKO-WZUFQYTHSA-N 463.129 5.169 50 40 JKGB COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)sc(C)c1C 1453445 WRYCITREYRIUCX-MDWZMJQESA-N 475.353 6.264 50 40 JKGB Cc1ccc(N/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1Cl 2287666 UZMKJPAMEPATAX-LGMDPLHJSA-N 469.953 7.008 50 40 JKGB C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)c(C)c2)=C(C#N)[C@@H]1c1ccc(C)cc1 2340334 MNMTYFZXIDCRLD-SANMLTNESA-N 487.625 5.409 50 40 JKGB N#C/C(C(=O)Nc1ccccc1Cl)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1 2363258 NPBBHNLRFKOSBH-UTDQILSNSA-N 459.958 5.405 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C2\S[C@H](Cc3ccccc3Cl)C(=O)N2c2ccccc2C)cc1 2397163 ICNRSZRZGCHKME-HEQFHQOESA-N 488.012 6.022 50 40 JKGB Cc1cc(C)c([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1COc1ccc(F)cc1Cl 2730535 PBROHSRWLHJUEW-LVXARBLLSA-N 486.978 6.269 50 40 JKGB O=C(CCCC(=O)Nc1ccccc1Br)N/N=C/c1ccc(Cl)cc1Cl 3080366 RUDYMOMVKKYHKH-SSDVNMTOSA-N 457.155 5.015 50 40 JKGB CCOc1ccc(C[C@@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)CCl)cc1OCC 3277958 DMIXIQXPSOLPHG-OAQYLSRUSA-N 476.013 5.189 50 40 JKGB CCn1c(/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)nc2ccccc21 6143349 VYNGQOAZYARLAT-XSFVSMFZSA-N 488.385 6.470 50 40 JKGB CCC(=O)N/N=C(\C=C\c1cccc(O)c1)c1sc(Nc2ccc(C)cc2[N+](=O)[O-])nc1C 8653410 AYQGDCRHPBIPGC-KCLFYHGJSA-N 465.535 5.061 50 40 JKGB N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1ccccc1C(F)(F)F 9292638 HFVMNEDSSNNARD-QFIPXVFZSA-N 488.469 5.893 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 16741425 MQQLYYMMTZIFIE-QJOMJCCJSA-N 476.536 5.570 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(OCc4cccc5ccccc45)c(Cl)c3)[nH]c2c1 34828595 AQJYBJMYLNQSMJ-MTJSOVHGSA-N 484.386 7.975 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc2ccccc2c1 35404321 IBQKSKYULGEZOA-CFRMEGHHSA-N 484.939 7.443 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1F 59245175 QUHWBBGZEKDFQW-WOJGMQOQSA-N 470.422 5.978 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1C 59432677 MFFKQMJWOVGYFI-XNTDXEJSSA-N 466.291 5.780 50 40 JKGB Fc1ccc(-c2nn(-c3ccccc3)cc2CN(CCCl)C(=S)Nc2ccccc2)cc1 72238853 MGHLXBXAIGZVSL-UHFFFAOYSA-N 464.997 6.116 50 40 JKGB Cc1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3cccc4ccccc34)ccc2O)c([N+](=O)[O-])c1 102550026 KGZYCOHUBSHEQL-AYLZGIOVSA-N 483.484 5.707 50 40 JKGB Cc1ccc(/N=N\C(=N/NC(=O)c2ccccc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 104315725 HMZARWJBXATASW-AAPVFKHLSA-N 477.572 5.813 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1ccc2ccccc2c1)c1ccc2ccccc2c1 408550484 HFMOYKZCIOESPN-QRQIAZFYSA-N 490.400 8.399 50 40 JKGB CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(Br)c(Br)c1O 408567769 GLDKTQDAHHZFTD-YHYXMXQVSA-N 481.119 5.395 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(OC)c1OCc1ccc(Cl)cc1 408792968 MUNBVXGWKMNJKI-BUVRLJJBSA-N 486.999 6.819 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1 408796254 OQIAOCVYLWWJKG-UDWIEESQSA-N 478.907 5.780 50 40 JKGB C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Br 408833639 UFTVRKYUIKMIEA-RIYZIHGNSA-N 477.742 5.230 50 40 JKGB CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC 408852857 WJOUUWMWAZCHPL-GHXNOFRVSA-N 470.150 5.709 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3Cl)ccc3ccccc23)cc1 408865226 BQLQCZRBLWSTNO-HKOYGPOVSA-N 450.969 7.192 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Br)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 408874825 BHRSVPIGGMCPNU-VCHYOVAHSA-N 496.748 6.147 50 40 JKGB C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 408878174 XKALYPGEOXWXTG-OQLLNIDSSA-N 493.279 5.424 50 40 JKGB COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 408881374 LAHZXKNDYFQHLL-SFQUDFHCSA-N 477.860 5.022 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c([N+](=O)[O-])c1 408887122 MFAMDBQXMYAPSG-RQZCQDPDSA-N 498.322 6.035 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Br)c(Cl)c2)cc1 408889544 DYHUTCYJMJJOSA-DEDYPNTBSA-N 495.804 6.790 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 408891341 OWSNUSAUQNORNR-VULFUBBASA-N 462.347 5.225 50 40 JKGB O=C(O)c1cccc(Cn2cc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)c3ccccc32)c1 409024075 UEGFDAHPOZFWPC-QDTIIGTASA-N 471.900 5.551 50 40 JKGB Cc1ccccc1CN(CC(=O)N/N=C/c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 409066605 WHGHAFPAHQZBJV-LQKURTRISA-N 498.048 5.113 50 40 JKGB Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c1 409108886 ZEFBRNVMHIXVNC-OGLMXYFKSA-N 460.002 6.663 50 40 JKGB Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1 409225942 UDURRRVSVAXRCQ-FYJGNVAPSA-N 473.960 5.828 50 40 JKGB O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1ccccc1Br 409231800 MGIFWSCYAOZSKC-WGARJPEWSA-N 450.311 5.355 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1O[C@@H](C)CC 409237007 ULCPBMSSTHRXEU-XWXBZMLMSA-N 471.395 5.809 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1Cl 409266502 XHMLBONVIUHTGW-PDGQHHTCSA-N 480.351 5.865 50 40 JKGB COc1ccc(-c2csc(N(NC(=O)Nc3ccccc3)C(=O)Nc3ccccc3)n2)cc1 1415235 QKDNJKOYIFXJBE-UHFFFAOYSA-N 459.531 5.594 50 40 JKGB N#C/C(=C\Nc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2cccc3ccccc23)cs1 2198144 BOADOTCRFNGKCY-NTCAYCPXSA-N 455.892 7.612 50 40 JKGB CCCOc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)cc1 2280355 CDILLPOUEADZFA-FSJBWODESA-N 493.079 5.515 50 40 JKGB CC(C)(C)c1cc(/C=N/NC(=O)C2=NNC(c3ccccc3)(c3ccccc3)C2)cc(C(C)(C)C)c1O 8427024 XLQMXKTYYILIBY-UZWMFBFFSA-N 496.655 5.730 50 40 JKGB CCn1c2ccccc2c2cc(N/C=C(\C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)ccc21 9057812 TVINVXHSZHQQNU-SAPNQHFASA-N 489.431 8.221 50 40 JKGB N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@H]1c1ccc(OCc2ccccc2Cl)cc1 12251076 RRGASVMPYOHJEE-QHCPKHFHSA-N 488.012 6.138 50 40 JKGB Cc1ccc(/N=N/c2ccc(O)c(/C=N\NC(=O)[C@@H]3C[C@@H]3c3ccc(C(C)(C)C)cc3)c2)cc1C 15930617 DGODHGMOKOFVQE-LQYUXADWSA-N 468.601 6.976 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccc1O 16480591 VJOMXNWCZNOBIU-RDRPBHBLSA-N 452.510 5.314 50 40 JKGB O=C(CSc1nc2ccccc2n1Cc1ccccc1Cl)N/N=C\c1c[nH]c2ccccc12 19826025 VUNBWLSUVQEBAM-MUXKCCDJSA-N 473.989 5.462 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)cc1 20764528 XXPKLPNRONHBDX-UVHMKAGCSA-N 477.775 6.388 50 40 JKGB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1C 26687277 OKDKSZHZGYYUGK-LMTOTAIGSA-N 484.600 5.229 50 40 JKGB C/C(=N/NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1cccc(C(F)(F)F)c1 34703570 HIYQLGRAWPTGNL-UCMJSZAQSA-N 488.509 7.105 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1cc(Cl)ccc1Cl 59117431 XUTOWPFIRSUZAF-XMHGGMMESA-N 487.342 6.911 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1c(F)cccc1Cl 59297547 YNIRAPQRAPDUCV-GIJQJNRQSA-N 494.906 5.019 50 40 JKGB COc1cc(/C=N\NC(=O)c2cccc(C)c2)cc(Br)c1OCc1ccccc1Cl 83314654 KHTCPRDQGHJURO-ZMFRSBBQSA-N 487.781 5.762 50 40 JKGB CC(/C=C\c1ccccc1)=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 85915554 GEKUNSPYFFOCRA-DBMYSJMESA-N 453.571 5.232 50 40 JKGB CCCCCCCC[C@H](Cl)[C@H](Cl)CCCCCCCC(=O)[C@H](C(=O)O)[C@H](O)C[N+](C)(C)C 100500836 TYGGPHDVLKGGFC-SCDRESIJSA-O 497.568 6.020 50 40 JKGB CCN(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1ccco1)P(=O)(c1ccccc1)c1ccccc1 104159376 SQEMUUWZDNABOJ-SANMLTNESA-N 474.453 5.363 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1cccc2ccccc12 107679269 QEROHTRHAQAWSN-JFLMPSFJSA-N 468.538 6.134 50 40 JKGB CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Br)c3)cc2[C@H](C)CC1(C)C 208309777 LJIYQVKLWIBRDN-CJMVGXJBSA-N 452.396 6.107 50 40 JKGB O=C(Cl)c1ccc(OCc2cccc(Br)c2)c(I)c1 226327531 KSFCSIIATYGNSA-UHFFFAOYSA-N 451.485 5.012 50 40 JKGB COc1cc(C(=O)Cl)cc(I)c1OCc1cccc2ccccc12 226327623 OFVWPCALEWUHMV-UHFFFAOYSA-N 452.675 5.411 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2)c1 408550732 HBLDVPQKFALJFL-WOJGMQOQSA-N 480.351 5.865 50 40 JKGB Cc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 408588103 HVPQDJYWOYUILU-RWPZCVJISA-N 456.417 6.391 50 40 JKGB Cc1ccc(COc2ccc(/C=N/NC(=O)CSCc3cccc(Br)c3)cc2)cc1 408719703 KGPVWOWWTZZJQT-VULFUBBASA-N 483.431 5.720 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 408747746 SJIUYXOUOKGQAH-JAIQZWGSSA-N 467.352 5.804 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)Nc1ccc(O)cc1 408794632 JSOHHQOONMVNFM-GZTJUZNOSA-N 467.294 5.418 50 40 JKGB C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1Cl 408823409 FEUNXGWMRISLEU-XSFVSMFZSA-N 477.347 6.130 50 40 JKGB Cc1cccc(COc2ccccc2/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1 408850737 DJJOJVIBZHWKSD-VQNDASPWSA-N 499.614 7.104 50 40 JKGB Cc1ccccc1-n1c(C)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1C 408853666 WFMFYBSXARVGLN-MXAYSNPKSA-N 450.336 5.675 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1Cc1ccccc1F 408870757 XKCJCBHCUUMXEC-CIAFOILYSA-N 462.952 6.631 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCc1ccc(Cl)cc1Cl 408878456 BKBBBCWVKIPZNN-LICLKQGHSA-N 487.770 6.780 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OC(=O)c1cccc2ccccc12 408899862 RDOWSXKKUYEHCD-HMMYKYKNSA-N 492.487 5.311 50 40 JKGB CCOc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(Cl)c1O[C@H](C)CC 408908897 DWHLBMTXKAXEEQ-YPKLGXIKSA-N 480.992 5.302 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1O[C@@H](C)CC 408961365 BPHJMKQLCZSZOO-ZGUVFNMESA-N 459.886 5.334 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)c1 408991711 OXUONUFMNWWEDZ-GXDHUFHOSA-N 462.512 5.803 50 40 JKGB Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cccn2-c2cccc(Br)c2)cc1 409010449 KNGXWYCRCWFTCS-WGOQTCKBSA-N 461.363 5.411 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c([N+](=O)[O-])cc1OCc1ccccc1 409021598 PHGQKOZNMUWBHG-ZMFRSBBQSA-N 479.876 5.346 50 40 JKGB CCOC(=O)COc1ccc(Cl)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 409044018 GIMVDIZSDPKMPF-MUFRIFMGSA-N 487.943 5.261 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OCC)c1OCc1ccc(C)cc1 409064232 CHSGSYVZMVRAHZ-WPWMEQJKSA-N 480.608 6.864 50 40 JKGB CC(C)NC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 1791639 VDZNWSBLFJZFKW-SFQUDFHCSA-N 461.345 5.190 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3ccccc3)C(=O)N2c2ccccc2)c1C 2212978 YSMPWSBYHXXMKD-MZOFLMDJSA-N 453.567 5.368 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c(Br)cc1O 2314205 SRRMDGQTZGWZGX-WYMPLXKRSA-N 453.292 5.217 50 40 JKGB CCCCCOc1ccc([C@@H]2C(C#N)=C(C)N(c3ccc(C)cc3)c3oc(C)nc32)cc1OC 8742313 MNRVQPLLJRDQJX-AREMUKBSSA-N 457.574 6.950 50 40 JKGB CCn1c2ccccc2c2cc(NC(=O)C(=O)N/N=C/c3c4ccccc4cc4ccccc34)ccc21 9763533 HTHQSTDCJOPYAI-BIZUNTBRSA-N 484.559 6.210 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1cccc(Cn2cccn2)c1 12375479 NFOSTPOZFPSGOY-JVWAILMASA-N 489.373 5.037 50 40 JKGB COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C(C)(C)C)cc3)nc3ccccn3c2=O)c1 16735985 WHKLPJOISNXHCB-KNTRCKAVSA-N 494.551 5.339 50 40 JKGB CC1=C(C#N)C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 16806568 UQGCKHNKENJGAI-PMFHANACSA-N 457.313 5.025 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1cccc2ccccc12 35339393 DJUPLINTVLOLHZ-HMAPJEAMSA-N 457.932 7.674 50 40 JKGB Cc1cc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)c(C)n1-c1ccc(-c2ccccc2)cc1 58887465 BVIMTIZZYWJUMJ-LUJVFJMUSA-N 451.570 5.725 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)cc1 59224969 POXIJJNHMAHHLZ-RCCKNPSSSA-N 461.359 6.136 50 40 JKGB CCOC(=O)/C(C#N)=C\c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 102947460 BIDHIISJVSJQCM-QYQHSDTDSA-N 476.536 5.651 50 40 JKGB Cn1/c(=N\NC(=O)c2oc3ccccc3c2CSC2CCCCC2)sc2ccccc21 103050305 KFNJRMKGHVPYSA-SHHOIMCASA-N 451.617 5.798 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1)C(=O)Nc1ccccc1 252507322 WHCSZQUEVCOSMS-GXDHUFHOSA-N 450.338 6.530 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(Br)cc1OCc1ccccc1Cl 408543248 OKCOGOVRQKAMAR-GRSHGNNSSA-N 498.760 6.452 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1nc2ccccc2s1 408555490 XSMUYTNDDNOVRV-LFIBNONCSA-N 480.376 6.685 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1OCc1cccc(C)c1 408795399 MFMFCEITMKJZDV-FYJGNVAPSA-N 491.385 6.281 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OCc2cccc(C)c2)c1 408813475 QLHYWCUAOYLPML-YBFXNURJSA-N 467.352 6.435 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)C(=O)Nc1ccccc1F 408820523 WTMAUIFPDVWBNA-BOPFTXTBSA-N 485.740 6.366 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2Br)cc1C 408870231 VODKXILFYTUMBQ-FYJGNVAPSA-N 479.805 6.856 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1Cc1cccc(F)c1 408874712 FOFBUTKCLRDBNZ-VCHYOVAHSA-N 450.897 5.720 50 40 JKGB O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccc(Br)cc1 409003295 RRGFDFNZSUOJGI-BRJLIKDPSA-N 491.172 5.772 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)c(C)c1 409047152 NBHAHWSXFAOKDV-VXLYETTFSA-N 496.350 6.643 50 40 JKGB Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1Cl 409058505 YBQQOOGVUBKHLK-LUOAPIJWSA-N 482.194 6.952 50 40 JKGB N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)C(=O)NCCc1c[nH]c2ccccc12 409068398 RICIHTNXRHUQBB-HKWRFOASSA-N 457.986 6.238 50 40 JKGB CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CCCOc3ccc(Cl)cc3Cl)o2)c1 409160926 YAXIFXQSRJDFAW-JFLMPSFJSA-N 489.355 5.739 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Cl)c1OCc1ccc(Cl)cc1 409181836 FSEZLQOSEWDDDP-OKCVXOCRSA-N 493.390 6.888 50 40 JKGB C[C@@H](NC(=O)/C(C#N)=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccccc1 409228352 XRYAXOJTRZNZDN-YZYPPFLQSA-N 481.430 6.190 50 40 JKGB CCOc1cc(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1O 409231376 CPCMWRVVQMQVKE-SDQBBNPISA-N 455.230 5.118 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1Cl 409267966 XIKQORHXEPEOHH-VYYCAZPPSA-N 486.355 5.174 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)cc1OCC 409324183 RMOWQVAWWKVQDA-YUMHPJSZSA-N 497.389 5.589 50 40 JKGB CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 409347669 QLGPWSFRIFASOJ-NDENLUEZSA-N 468.778 7.144 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(C)n1-c1ccc(Cl)c(Cl)c1 657965 IOIQXSIXBLTXOI-JFLMPSFJSA-N 451.357 5.956 50 40 JKGB Cc1cccc(C[C@H]2S/C(=C(/C#N)C(=O)Nc3cccc4ccccc34)N(c3ccccc3)C2=O)c1 2344288 FZLRXLQPRYFMOR-BPDFDMIXSA-N 489.600 6.213 50 40 JKGB N#CC1=C(N)Oc2c(c(-c3ccco3)nn2-c2ccccc2)[C@@H]1c1cc(Br)cs1 2789493 QCMHMSNXBMRUPL-KRWDZBQOSA-N 465.332 5.174 50 40 JKGB O=C(COc1cccc(Br)c1)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12 3174426 APTQWWACAZRPGN-LQKURTRISA-N 489.369 5.710 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1CCc1ccc(Cl)cc1 8767013 OZKJEXDISKZDJK-XMMPIXPASA-N 484.939 5.458 50 40 JKGB biogenic,in-vitro Cc1cccc(C)c1NC(=O)/C(C#N)=C1/S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccccc1 9075900 ZVIFZAKZKQVENH-OYZFAQQFSA-N 488.012 6.022 50 40 JKGB Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CSC3c4ccccc4-c4ccccc43)c2C)c1 16349892 FLBITMDLLKGNCD-OCSSWDANSA-N 465.622 6.356 50 40 JKGB Cc1ccccc1CSCC(=O)N/N=C/c1c(Br)c(C)n(-c2ccccc2C)c1C 20243619 KYMPOJGIJOIPMB-LGJNPRDNSA-N 484.463 5.857 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1 27018702 GOSBPXAJLPPVAZ-UDXHRHDRSA-N 476.580 6.112 50 40 JKGB CCn1c(SCC(=O)N/N=C\c2cccc(OCc3ccccc3)c2)nnc1-c1ccc(C)cc1 30742670 URKRKFWNIWBGEP-QRQIAZFYSA-N 485.613 5.095 50 40 JKGB CCOc1ccccc1/C=N\NC(=O)CCCCCCCCC(=O)N/N=C/c1ccccc1OCC 31629036 OBEUQTFKGNUOBJ-DWVPNOFWSA-N 494.636 5.205 50 40 JKGB CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)cc(Br)c1OCC 33631282 QMESVHIISNEJOC-NTEUORMPSA-N 461.406 6.513 50 40 JKGB CC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 33737968 ZDFXHTWMIANGTR-CFRMEGHHSA-N 468.922 5.122 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1 33740621 FFPHEYXUQGHWKJ-YVLHZVERSA-N 496.292 5.578 50 40 JKGB CCCOc1ccc([C@@H]2[C@@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OCC 35375220 KRSXPVNJGBGZTK-DZRGJMJISA-N 458.606 5.740 50 40 JKGB COc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)cc1Cl 38700752 OABQOQCACAOIQV-QHCPKHFHSA-N 478.957 5.508 50 40 JKGB N#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1I 59336208 BCHYIOANPIZAMP-WQLSENKSSA-N 498.107 5.046 50 40 JKGB COc1cc(/C=N\c2cc(Cl)c(Cl)c(Cl)c2)ccc1N(CCCl)CCCl 104103237 KEHASLBEEYULQT-MYKKPKGFSA-N 454.612 6.690 50 40 JKGB N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Br)c1)c1ccccc1F 108150171 ARQWPGGCACANIO-ZDLGFXPLSA-N 452.279 5.930 50 40 JKGB COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1Cl 108249421 PJNKZBCNNVJETD-OKCVXOCRSA-N 493.390 6.427 50 40 JKGB Cc1cc2c(cc1/C=N/NC(=O)c1cccc(I)c1)[C@@H](C)CC(C)(C)N2C 208215415 UXIQEUYVMLDLOF-MMTYYTLLSA-N 475.374 5.086 50 40 JKGB COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OCc1ccc(F)cc1 408549164 QDWNJHHSFPBSOP-QRVIBDJDSA-N 488.356 7.393 50 40 JKGB CCOc1cc(Cl)c(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1OCC 408567248 CRGDPHNWRGSUQJ-ZMOGYAJESA-N 481.039 5.145 50 40 JKGB Cc1ccc(-n2nc(C(=O)N/N=C/c3cccc4ccccc34)cc2-c2ccc3ccccc3c2)cc1 408725457 PHBMLBLTHIFQCW-QNKGDIEWSA-N 480.571 6.918 50 40 JKGB O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1 408737759 GRFMYDCXMXQQKC-DHRITJCHSA-N 473.754 5.211 50 40 JKGB N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)NCc1ccccc1 408759781 LLWNSOFLSPVZNL-XDHOZWIPSA-N 451.309 5.436 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1C 408795695 MTDJJTQTOZKXQO-VXLYETTFSA-N 485.798 7.388 50 40 JKGB N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1 408800782 QXKDPCNRHNNVLA-XSFVSMFZSA-N 483.911 6.526 50 40 JKGB Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 408802049 CIDQVTLGFVTKCA-WOJGMQOQSA-N 499.767 6.675 50 40 JKGB Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1sc2c(c1C#N)CCCC2 408817364 LKQKCCARZRFEAI-ODLFYWEKSA-N 462.416 6.733 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC 408836872 WLTNTSFQUZLMEW-XSFVSMFZSA-N 462.933 5.872 50 40 JKGB Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cccc(Cl)c1 408852381 TUHRXMZQGIAGFJ-ROTLSHHCSA-N 470.754 6.020 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(Cc2ccccc2F)ccc2ccccc12 408870536 SVLLLDZLTYXGFS-CJLVFECKSA-N 454.932 7.077 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Br)c1Cc1ccccc1F 408872379 MEOBASSVLIPGFS-WOJGMQOQSA-N 465.322 5.733 50 40 JKGB Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cccc(OCc2cccc3ccccc23)c1 408935640 IGCFDRBRHOQGPZ-HAHDFKILSA-N 452.941 6.926 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccccc1Cl 408964261 CNKJGAQFMWCNRI-KVSWJAHQSA-N 472.303 5.356 50 40 JKGB O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl 409118483 NLXRGPOKIDGOPJ-MYKKPKGFSA-N 480.760 6.470 50 40 JKGB COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 409179692 SJRZAPUPZPLXMG-LGJNPRDNSA-N 462.893 5.024 50 40 JKGB O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1 409186915 JLORVHQNNVWTBI-YUMHPJSZSA-N 468.538 5.503 50 40 JKGB N#C/C(=C/c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 409216381 KOCJITFZYFEPJF-WQRHYEAKSA-N 480.274 5.909 50 40 JKGB CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(Br)cc1OCc1ccccc1 409240035 JETDZNAFZSEOJH-DICXZTSXSA-N 485.353 5.259 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1)c1cccc(F)c1 409393579 QUBJUVPDWWCZAT-ZDLGFXPLSA-N 489.715 6.727 50 40 JKGB COc1c(Cl)cc(Cl)cc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(CC(C)C)cc3)c21 985873 QGOHOTWEZPZILS-LJQANCHMSA-N 469.372 5.809 50 40 JKGB COc1ccc(-c2ccc3c(n2)sc2c4c(c(=O)[nH]c23)[C@H](c2ccc(F)cc2)C(C#N)=C(N)O4)cc1 1102227 AUWCZZSCCYVIQS-HXUWFJFHSA-N 496.523 5.171 50 40 JKGB N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1cccc(Cl)c1Cl 1805768 DIIODABDLAVJOH-DHZHZOJOSA-N 485.676 7.471 50 40 JKGB CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccc2ccccc2c1 2128534 YDJZNIDWJJMZBL-LJAQVGFWSA-N 492.531 5.764 50 40 JKGB Cc1ccc(N2C(=O)[C@H](Cc3ccccc3)S/C2=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1 2422740 NQVYBMQDCWAUIF-GPSDDGMOSA-N 457.530 5.199 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Br)cc1 3232365 KPFRSDKNCLZCSE-GZTJUZNOSA-N 488.307 6.421 50 40 JKGB CC(/C=N/NC(=O)c1nn(Cc2ccc(Cl)cc2)cc1Br)=C\c1ccc(C(C)C)cc1 8780740 QGMYJJCOTQITTE-XBDVZRCZSA-N 499.840 6.290 50 40 JKGB CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3n2C)cc1 9310169 AELGOQUCCRXEEQ-OQKWZONESA-N 459.553 6.277 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2)s1)c1cccc2ccccc12 9359723 YQIVUTINKCYQIG-LFVJCYFKSA-N 464.641 5.616 50 40 JKGB CCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(Br)cc4)CC(=O)N3C2)cc1 9693395 HZLBQZRRMPSEIG-LJQANCHMSA-N 454.393 5.231 50 40 JKGB CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccc(Cl)cc1)=C(C#N)[C@@H]2c1ccco1 12250248 MQGWBEAIMANUAQ-OAQYLSRUSA-N 467.978 5.370 50 40 JKGB O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 16157781 HOZQNSRXHJPICL-LSHDLFTRSA-N 472.935 5.360 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C2\S[C@@H](Cc3cccc(Cl)c3)C(=O)N2c2ccccc2)c1C 16666310 LYRKNPHBYOWECM-MZOFLMDJSA-N 488.012 6.022 50 40 JKGB Cc1ccccc1[C@H](C#N)/C(=N/NC(=O)c1cc2ccccc2cc1O)C(=O)Nc1cccc(Cl)c1 17191904 KJHDIKSMXUGIOK-VRSZONLSSA-N 496.954 5.539 50 40 JKGB COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccccc2)ccc1OCc1cccc2ccccc12 18190277 VNESBUPXJQHFPC-MJDZGMBVSA-N 454.526 5.345 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1 20198093 WZGKOJZIUZIXTN-JVWAILMASA-N 456.502 5.151 50 40 JKGB C/C(CCc1ccccc1)=N/NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 20247287 CRXTWVQHWJOABH-AOOQNHMPSA-N 457.599 5.199 50 40 JKGB O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1)Nc1cccc(Cl)c1 28215399 ACAXGPWGELLZDY-RPPGKUMJSA-N 476.747 5.428 50 40 JKGB COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCc1ccc(F)cc1 32189101 JWAZOCKVRQIHKE-WKIKZPBSSA-N 497.320 5.686 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3ccccc3OCc3ccc(I)cc3)[nH]c2c1 33429370 RYZZCFYSVLMPJZ-UYRXBGFRSA-N 491.332 6.119 50 40 JKGB C#CCOc1ccc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)cc1OC 33622676 ADSUAQXBSGDEEH-YKQZZPSBSA-N 497.551 5.051 50 40 JKGB CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1C 59105178 CHMXRQBWBDOLIY-UXHLAJHPSA-N 452.602 6.136 50 40 JKGB N#C/C(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1cccc2ccccc12 59266563 QHZULELTSKCRHL-HMMYKYKNSA-N 473.359 7.271 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccccc1Cl 59297182 GTAAVYNIAKLALG-UDWIEESQSA-N 481.379 6.825 50 40 JKGB COc1ccc([C@H]2CC3=Nc4ccccc4N(C(=O)CCl)[C@H](c4cccc(F)c4)C3=C(O)C2)cc1 101494626 JHVMGDSLCHCUKQ-HMILPKGGSA-N 490.962 6.623 50 40 JKGB CCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F 103528305 BMDOSQPFSJOIKH-LBPRGKRZSA-N 464.247 7.544 50 40 JKGB CCN1c2cc(C)c(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2[C@H](C)CC1(C)C 208323040 HLZSCALLYQEVDJ-NFXIUMSZSA-N 454.596 5.258 50 40 JKGB COc1cc(C=NNC(=O)c2sc(N)c(C#N)c2C)ccc1OCc1ccc(Cl)cc1Cl 252517905 UTICIVMEFSEAHD-UHFFFAOYSA-N 489.384 5.169 50 40 JKGB COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc(C)cc1 408579676 JKXVNUXMWWAEOO-GIJQJNRQSA-N 458.772 7.607 50 40 JKGB Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1-c1cccc2ccccc12 408728072 ZOSGLMRMBFZONN-RDRPBHBLSA-N 475.508 5.673 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(I)c1)C(=O)NCc1ccccc1 408748149 ZDZBZRXSCJBTBR-BKUYFWCQSA-N 494.332 5.094 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 408782689 ISKPJZNPWXBIGN-PDGQHHTCSA-N 488.456 5.548 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2Cc2ccccc2Cl)cc1 408878142 WWOBPQQJGZYCHS-DEDYPNTBSA-N 465.778 6.547 50 40 JKGB COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1cccc2ccccc12 408895952 OOVTZBOLTPOZIN-WKULSOCRSA-N 493.346 6.138 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 408921821 CFWAZLXBWIIVGF-KGENOOAVSA-N 497.938 6.835 50 40 JKGB COc1cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc(Cl)c1OCc1ccc(Cl)cc1 408947203 AUYZXNRINVMXFC-OVHUDYNESA-N 461.389 5.857 50 40 JKGB CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cc(Br)ccc2OC)c1C 408965452 HNHQYBGWXYAQLC-AFUMVMLFSA-N 454.368 5.192 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)c2C)cc1 409022098 JIDWFULMISVNSJ-VYYCAZPPSA-N 463.921 5.434 50 40 JKGB Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1 409171982 ADCZPLGIFZKLIC-MUFRIFMGSA-N 498.410 6.140 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)cc2c1 409187719 UEEYNMQQEZHZJW-DICXZTSXSA-N 489.484 5.091 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1 409217148 SOHGUGWOXBGRJV-WJDWOHSUSA-N 464.865 5.380 50 40 JKGB CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1 409223438 FTZZUQAQWFRWTJ-MOSHPQCFSA-N 481.474 5.835 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 409248341 PYVSBZXJCPVNBY-AYBNGVQBSA-N 460.961 6.020 50 40 JKGB COc1ccccc1C(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 409256938 OGSZNIROPNLCAK-KKMKTNMSSA-N 493.774 6.007 50 40 JKGB CCc1cc(Br)cc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1 409334341 KYNFJOOHFJIFJA-SFHVURJKSA-N 484.419 5.031 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc(Br)c1OC 650452 NBEUHRSUJGDURI-DHRITJCHSA-N 467.319 5.520 50 40 JKGB COc1ccc(N2CSC3=C(C#N)[C@@H](c4c(OC)ccc5ccccc45)CC(=O)N3C2)cc1 2212636 TUNIWOJSCOUZNF-NRFANRHFSA-N 457.555 5.076 50 40 JKGB O=C(N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)[C@@H]1COc2ccccc2O1 2351306 RHFRSEUPXZXWQL-TVLIKWEDSA-N 451.693 5.197 50 40 JKGB O=P(Nc1nccs1)(c1ccc(Br)cc1)c1ccc(Br)cc1 3194626 TYMZQLVCEYTAMV-UHFFFAOYSA-N 458.115 5.009 50 40 JKGB COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1COc1ccc(F)cc1F 8934423 MBRDSRAEHJSURG-QHCPKHFHSA-N 486.478 5.161 50 40 JKGB O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(/N=N/c2ccc([N+](=O)[O-])cc2)ccc1O 9720513 UMIXNMUMNWPJNQ-AYLZGIOVSA-N 468.473 5.431 50 40 JKGB N#C/C(C(=O)Nc1ccccc1)=C1/S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 9909874 IMMVMQAZWAOHQD-CKVBZJJFSA-N 477.948 5.544 50 40 JKGB C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(Cl)cc1)c1ccc(O)cc1 12465085 CGZRXLFXIVTNGR-WPWMEQJKSA-N 492.004 5.234 50 40 JKGB CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1cc([N+](=O)[O-])cc2c1OCOC2 12631839 UFMROBLMJISEOH-GIJQJNRQSA-N 498.495 5.379 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1OCc1ccccc1 13388157 ANAKIYNJAADPAS-WOJGMQOQSA-N 463.877 5.381 50 40 JKGB CC(C)[C@H](Br)C(=O)Nc1nc2c(Br)cc(Br)cc2s1 20133341 LRUJRSNBMLCYES-VIFPVBQESA-N 471.012 5.179 50 40 JKGB CCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 20763882 SSFDIYIEVOXTLL-MZJWZYIUSA-N 473.356 5.744 50 40 JKGB COc1ccc(/C=N\NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1CSc1ccccn1 33351702 MXKHWPGAVXWWCT-WMDMUMDLSA-N 496.807 5.084 50 40 JKGB COc1ccc(-c2nc(CC(=O)NN(Cc3ccccc3)c3ccccc3)cs2)cc1OC 36767684 CBCNTBGGNDNRQO-UHFFFAOYSA-N 459.571 5.108 50 40 JKGB CN(C)c1ccc(/C=N/NC(=O)CN2CCn3c4c(c5cc(C6CCCCC6)ccc53)CCC[C@@H]42)cc1 57156129 XXFLRZUYQOCOCH-FUGGPRTCSA-N 497.687 5.598 50 40 JKGB COc1ccc(CSCC(=O)N/N=C(\C)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2)N3)cc1 58916772 WDNSJAYMCPRJTC-VWABVVPWSA-N 497.664 6.295 50 40 JKGB O=C1c2ccccc2O[C@]1(Cc1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1 95676838 FNGOTLYBXAOKFS-XIFFEERXSA-N 499.550 6.378 50 40 JKGB O=C(F)[C@](F)(OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F 95681858 YSIGVPOSKQLNTO-ZAFYKAAXSA-N 498.060 5.355 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(C)c(C)c3)N=C3CCCC(O)=C32)ccc1O 102619414 XIZZDSBKNXBQAG-RUZDIDTESA-N 489.597 5.659 50 40 JKGB COc1cc([C@H]2C(C#N)=C(SCc3ccccc3)N=C3CCCC(O)=C32)cc(OC)c1OC 103688220 RDPBPIVUSFXNQY-QHCPKHFHSA-N 462.571 5.915 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(I)c1)c1cccc([N+](=O)[O-])c1 108002737 KLADLLJHSMDMGH-ODLFYWEKSA-N 482.277 5.843 50 40 JKGB COc1ccc(CNC(=O)/C(C#N)=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 207155797 NEOLPBFSUCNVKU-NDENLUEZSA-N 490.390 6.228 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1cc(Cl)ccc1Cl 408590318 OXOBWDDIFPXTPA-BHGWPJFGSA-N 465.178 5.927 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccc2ccccc2c1 408599629 XVCFUBVLJYVHAN-FJEPWZHXSA-N 472.375 6.914 50 40 JKGB N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(N2CCCC2)cc1 408677779 UUWNAPHMCYYGFE-UZWMFBFFSA-N 474.564 5.655 50 40 JKGB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)c1 408752395 IGPFJQGCERTSQU-UHFFFAOYSA-N 479.411 6.572 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc(Cl)cc1 408787484 ARTUTVLZCVHDNP-HZHRSRAPSA-N 472.972 6.510 50 40 JKGB C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OCC)c1OCc1cccc(F)c1 408846302 MOHCMOGRWKEYPO-LQNQUEJISA-N 472.516 6.042 50 40 JKGB C#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC 408859715 YKBNYUMKIIPDGY-MSXFZWOLSA-N 475.726 5.023 50 40 JKGB CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Br)c(Cl)c2)cc1 408877269 UBGPDXJHRVSAHT-FYJGNVAPSA-N 479.805 6.801 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Cc2ccccc2Br)c1 408882247 LZIKAIJKIPGZRX-XDHOZWIPSA-N 481.777 6.248 50 40 JKGB Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(Br)c1 408915428 YHYIQDGYZDRPSP-CCVNUDIWSA-N 492.373 5.046 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)c([N+](=O)[O-])c1 408925621 SJUQDJTURBFXNW-RCCKNPSSSA-N 497.938 6.835 50 40 JKGB C/C(=N\NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 409025102 LMPJCMCUOKDQJK-TURZUDJPSA-N 498.048 5.373 50 40 JKGB N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 409072990 OGVBZGDRGJACJI-SFQUDFHCSA-N 485.315 5.189 50 40 JKGB N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccc3ccccc3c2)c(Br)c1 409137584 WAPYBRYKNXVBCU-SANMLTNESA-N 499.364 6.105 50 40 JKGB O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 409140613 KOZHBJUXNLIWOC-LGJNPRDNSA-N 492.200 6.028 50 40 JKGB O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccccc1Cl)c1ccc(Br)cc1 409225406 QIEDDFZKCJPGJT-ROTLSHHCSA-N 492.156 5.739 50 40 JKGB CCCOc1ccc(C(=O)N/N=C\c2cc(Br)c(OCCC)c(OC)c2)cc1OCC 409312419 LQOJVVITBCXYNO-MYYYXRDXSA-N 493.398 5.198 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 409376446 ASTQLSHWQHKEOI-UYRXBGFRSA-N 477.923 5.605 50 40 JKGB N#CC1=C(N)Oc2cc(O)c(/C=N/c3cc(C(F)(F)F)ccc3Cl)cc2[C@@H]1c1ccco1 711715 QDFIVRFZLZFSNC-HRAPCHFKSA-N 459.811 5.626 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)sc2c1CC[C@@H](C)C2 1243862 KXYWKKQGFRNSRN-OVGFGYAMSA-N 478.545 5.994 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2)s1 1454119 TWCZUCGFHWGKJW-SFQUDFHCSA-N 463.921 6.332 50 40 JKGB Cc1cc(Cl)c(Cl)cc1NC(=O)[C@@H](Br)[C@@H](Br)c1ccccc1 1738224 XZXJCHGERZXFSX-GJZGRUSLSA-N 466.000 6.140 50 40 JKGB N#C/C(=C\c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 2561853 KYIAYJQDLGJOIE-DEDYPNTBSA-N 456.932 5.738 50 40 JKGB O=P(c1ccccc1)(c1ccccc1)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 3191038 CWNSFQDWSUDSKG-VWLOTQADSA-N 499.931 5.470 50 40 JKGB COc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 6190610 RBBMCDFUENLORF-FUGGPRTCSA-N 493.607 5.271 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccccc3[N+](=O)[O-])nnc2-c2ccccc2)cc1 9186558 VSVIUQPWIOFILO-KUSMUEKRSA-N 498.568 5.058 50 40 JKGB Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccccc5)cc4)CC(=O)N3C2)cc1C 12251049 PAYRSULVKUSDQA-SANMLTNESA-N 481.621 6.102 50 40 JKGB N#C/C(=C\c1cc(OC(=O)c2ccccc2Cl)cc2ccccc12)c1nnc2n1CCCCC2 13302348 VZQUORNTMOVBPK-XSFVSMFZSA-N 468.944 6.094 50 40 JKGB N#C/C(=C\c1ccc(OCCOc2ccc(Cl)cc2)c(Cl)c1)C(=O)NCc1ccco1 13881175 AEGOPMHSBIRKDJ-SFQUDFHCSA-N 457.313 5.268 50 40 JKGB COC(=O)C1=C(C)NC(SCC(=O)C23CC4CC(CC(C4)C2)C3)=C(C#N)[C@H]1c1cccs1 19851526 CDIMGDMBXZATEM-QNWAOAGUSA-N 468.644 5.136 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C 33401417 MEEDWKKUNKFMFD-CCVNUDIWSA-N 466.368 6.327 50 40 JKGB COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 59201228 YYKHXCUAUOAQRO-FOWTUZBSSA-N 467.308 5.767 50 40 JKGB O=C(N/C=C(\c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 102618723 LZFLZVKBPUCWHW-HMZBKAONSA-O 484.559 6.409 50 40 JKGB Cc1c(P(=Nc2ccc([N+](=O)[O-])cc2)(c2ccccc2)c2ccccc2)c2ccccc2n1C 103451084 IIGUXNXOBZBGTN-UHFFFAOYSA-N 465.493 6.204 50 40 JKGB Cc1cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)c2C)ccc1Br 408677925 WAORBTMVEZSYHE-JVWAILMASA-N 479.422 5.529 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 408744505 LRTLKMXKZCQMPK-ATVHPVEESA-N 467.403 6.260 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)C(=O)NCc1ccccc1 408747412 NNHYSJKQWVIFFZ-NDENLUEZSA-N 492.329 5.160 50 40 JKGB C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OCC 408794907 KLTMLVZBNGLIQU-LDADJPATSA-N 499.361 5.135 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 408893966 HGQBGBJWDUJEKY-XMHGGMMESA-N 496.972 5.361 50 40 JKGB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1 408899106 ZCAFOGNPIJUMGG-RCCKNPSSSA-N 477.476 5.821 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cccc(Cl)c2)cc1 408925503 RQXGBJBXZVXFEF-JVWAILMASA-N 478.957 5.333 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NCCc1c[nH]c2ccccc12 408951086 KYBRFRUHIGLEML-BKUYFWCQSA-N 490.390 6.320 50 40 JKGB COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)c1 409035760 QEQKBJKBWPQOFK-UXHLAJHPSA-N 475.504 5.712 50 40 JKGB COc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 409118513 QTVPHCYPALOSTD-JFLMPSFJSA-N 457.357 5.664 50 40 JKGB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1 409225701 NVPVBCGAZRSQOG-MXWXAVPPSA-N 484.295 5.284 50 40 JKGB N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(I)cc1 409369950 ICALREOFTCCTNT-LCYFTJDESA-N 466.105 6.922 50 40 JKGB CCOc1cc(Br)c(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1OC 659695 BMVVFKHDPCECJT-DHRITJCHSA-N 467.319 5.520 50 40 JKGB O=C(CCCC(=O)Nc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 2053328 NXUMIDVZURWWKX-LQKURTRISA-N 484.383 5.832 50 40 JKGB CCOc1ccc(C2=CS/C(=C(/C#N)c3nnc4n3CCCCC4)N2c2ccccc2)cc1 3180743 JYFNEQKBYQQQRL-ROMGYVFFSA-N 455.587 5.847 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccc(C#N)cc1 9262940 YKFPLTOUSDVBJE-LGJNPRDNSA-N 461.319 5.238 50 40 JKGB COc1ccc2nc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)[nH]c2c1 9263544 SWSWWHJJTFHNHR-RQZCQDPDSA-N 480.351 6.530 50 40 JKGB Cc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(Br)c4)CC(=O)N3C2)cc1C 9693425 JXWNXKPZNBDDCA-LJQANCHMSA-N 454.393 5.285 50 40 JKGB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)o1 14151747 LRWVUOGTVKTYHJ-GXDHUFHOSA-N 474.498 5.221 50 40 JKGB Cc1ccc(OCC(=O)N/N=C\c2cc(/N=N/c3cccc(C(F)(F)F)c3)ccc2O)cc1 16157901 QAQCZYCEKDEEAP-FUWLUIBMSA-N 456.424 5.664 50 40 JKGB Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)[C@]1(C)CC[C@H](c2nc3ccccc3[nH]2)C1(C)C 22704679 CBYGKVKPYJMJIG-UEQNYHGMSA-N 468.605 5.426 50 40 JKGB CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Br 33731916 YFBOCODLXRQBTO-VTGBELTLSA-N 476.352 5.513 50 40 JKGB Cc1ccc(-n2c(C)cc(/C=C(C#N)\C(O)=N\c3cc(C(F)(F)F)ccc3Cl)c2C)cc1 33740410 FTQSNLFPHBOYPX-WQRHYEAKSA-N 457.883 7.270 50 40 JKGB CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 59333984 TZECZQGIJUFYQN-AUWJEWJLSA-N 454.151 5.330 50 40 JKGB CCCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCC 59484046 WNFBSJIGBYDINC-BOPFTXTBSA-N 490.341 5.333 50 40 JKGB CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(N3CCCCCC3)o2)cc1 98001293 ZQMUDCZBEXISPU-BYNJWEBRSA-N 467.654 6.943 50 40 JKGB O=C(N/N=C/[C@@H]1C[C@@H]2C[C@@H]1[C@@]1(F)C(F)(F)C(F)(F)[C@]21F)c1sc2ccccc2c1Cl 100337233 CQBOJQYDZLICJW-BHADUTJQSA-N 466.834 5.627 50 40 JKGB Cc1cccc(NC(=O)[C@@]23CC[C@](C(Br)Br)([C@@H]2Br)C3(C)C)c1 100701136 JLZHFDPKQJHPFY-JCURWCKSSA-N 494.065 5.619 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1)c1nc2ccccc2[nH]1 408551687 FKGMWJZQACUISP-OQLLNIDSSA-N 497.769 6.605 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408745952 BJMBFAMOCMTFFE-JMIUGGIZSA-N 477.904 5.059 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1cccc(F)c1 408776724 QSYRARKSBRAZSA-GRSHGNNSSA-N 457.343 5.327 50 40 JKGB N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1 408779875 MSBSRRFLNGWDHH-NKFKGCMQSA-N 480.999 5.599 50 40 JKGB Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 408782643 IGXHRHJQZARHGJ-KQWNVCNZSA-N 477.520 6.490 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(OCC)c1OCc1ccccc1C#N 408787496 AYHUJJNLPDLNHS-JVWAILMASA-N 491.591 6.427 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 408787754 FTLJIXFNPBGOQX-FYJGNVAPSA-N 490.943 5.650 50 40 JKGB COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br 408789820 MCKQBLKDEAGOIK-VZUCSPMQSA-N 456.123 5.319 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(OCc2cccc3ccccc23)c1 408816677 RZHGZDIBUSHHJW-OEAKJJBVSA-N 482.967 6.935 50 40 JKGB N#C/C(=C\c1cc(Br)ccc1Cc1ccccc1F)C(=O)Nc1ccccc1F 408874622 CQXJZQBOUVGGEG-LDADJPATSA-N 453.286 5.864 50 40 JKGB C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 408878055 WAALEIOKRIWAFG-OQLLNIDSSA-N 450.844 5.868 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1Cc1ccccc1Cl 408885261 YKTRTBHLJXYSRG-CIAFOILYSA-N 479.407 7.145 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)c2)cc1 408894709 KULAZOGWKJDHCR-CPNJWEJPSA-N 466.946 5.270 50 40 JKGB C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 408955869 PLTFAJMKWULCBB-UGWZCTFJSA-N 475.814 5.958 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1 408961773 DWVQMJVVFUOOBV-XODNFHPESA-N 491.307 6.119 50 40 JKGB N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1Cl 409047225 NIJWYVJTMQKASJ-SFQUDFHCSA-N 466.324 5.557 50 40 JKGB CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCc1ccc([N+](=O)[O-])cc1 409310480 BKHAUBHQWDLANC-KQWNVCNZSA-N 450.494 6.790 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)cc1OCC 409326304 JOPZILAIYXEZEA-RHANQZHGSA-N 496.991 5.879 50 40 JKGB Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c1 409376128 UTQVZKXWJUWQMR-UCQKPKSFSA-N 453.542 5.483 50 40 JKGB N#C/C(=C\Nc1ccc2c(c1)OCO2)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1 1306218 QCDYZWIAMJSDAC-UKTHLTGXSA-N 494.326 5.384 50 40 JKGB N#C/C(C(=O)Nc1ccccc1F)=C1/S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1 2322598 VQJHFDFBOORJGU-AEPTXUNZSA-N 477.948 5.544 50 40 JKGB COc1ccc(/C=C/C(=O)Oc2ccc(/C=N/NC(=O)COc3cc(C)ccc3C(C)C)cc2)cc1 3036958 MRYJYZLDQQWBMX-MZDQVCFKSA-N 486.568 5.275 50 40 JKGB COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1 3322585 YLCMNKSEUBMBHD-XDJHFCHBSA-N 471.513 6.239 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c(C)n1CCC(C)C 3393599 SXKAQEFUEBJZNZ-OVVQPSECSA-N 483.612 5.507 50 40 JKGB O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)C(O)(c1ccccc1)c1ccccc1 3657001 YVFRCICITPDZOK-AJBULDERSA-N 459.549 5.076 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCCOc1ccccc1OC 4196630 GVYSAWPLVVZXSI-LTGZKZEYSA-N 460.486 5.524 50 40 JKGB Cc1cc(=O)oc2cc(N/C=C(\C#N)c3nc(-c4ccc(Cl)c(Cl)c4)cs3)ccc12 8818348 FTXPOTNQFWUFGF-GXDHUFHOSA-N 454.338 6.508 50 40 JKGB Cc1ccc(Sc2ccc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)cc2[N+](=O)[O-])cc1 9233908 LHZHGHKUVRWTLR-LQKURTRISA-N 481.533 6.718 50 40 JKGB O=C(NN=C1CCC(c2ccccc2)CC1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 12562365 XKKSFAQCXNBAPP-UHFFFAOYSA-N 482.005 5.584 50 40 JKGB N#C/C(=C/Nc1ccc(Cl)cc1Cl)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 13775577 KIVHTRYCNRARIP-QINSGFPZSA-N 490.371 7.353 50 40 JKGB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2)N1 20347818 KSKYAZQNZLUVDH-SANMLTNESA-N 499.592 5.399 50 40 JKGB O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)c1ccccc1Br 20761019 ITLVISXHCUJLOM-JVWAILMASA-N 459.343 5.945 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)S(=O)(=O)c2ccccc2)cc1C 27019598 AFZXSLDFEZPUFE-ITYLOYPMSA-N 483.593 5.975 50 40 JKGB Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c1C 28216937 SXPCYMRXNIGNET-UXHLAJHPSA-N 467.638 6.600 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 32109610 KRPGTXJCSFLHEJ-OLROSQPISA-N 468.384 5.507 50 40 JKGB Cc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)c(C)n1-c1cc(Cl)ccc1Cl 33676823 YJCXWMXWVKFKPN-LICLKQGHSA-N 456.423 7.667 50 40 JKGB O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1 33678738 XRRCODNYBWVWKD-XODNFHPESA-N 475.854 5.027 50 40 JKGB CCCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC 59297090 MQZBLSIIBGGARI-LFIBNONCSA-N 459.340 5.191 50 40 JKGB CCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(N(C)c3ccccc3)cc2)cc1 105423439 NBTIBJPXIUDHSB-JJKYIXSRSA-N 457.618 6.958 50 40 JKGB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(C)CC(=O)[C@H](Br)C[C@]4(C)[C@H]3CC[C@@]21C 118912399 VJESLMVYXPLTHU-MVJJLJOTSA-N 479.587 8.440 50 40 JKGB N#C/C(=C\c1ccccc1OCc1cccc(F)c1)C(=O)Nc1sc2c(c1C#N)CCCC2 408555118 VQDRJZLJGKWPOD-CPNJWEJPSA-N 457.530 5.762 50 40 JKGB N#C/C(=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1cccc(C#N)c1 408569138 ZBARFXZAFKYENQ-JMIUGGIZSA-N 494.186 6.726 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)ccc1OS(=O)(=O)c1ccc(C)cc1 408753573 GOQDEWNUHVXHNM-HZHRSRAPSA-N 498.560 5.470 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)cc1Cl 408795261 KRVWFYPGSTTYAF-XDHOZWIPSA-N 460.364 6.851 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C)cc1 408799388 YYFZGUUWMVZOPW-WSDLNYQXSA-N 460.961 6.399 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccc(Cl)c2)cc1 408800547 PNUVOAULEJPLFA-DEDYPNTBSA-N 476.916 5.260 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCC(=O)Nc1ccccc1 408807151 GJXJBJDIEPQTDO-CPNJWEJPSA-N 475.932 5.220 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Br)c1OC 408853823 XTAVTJGUBHEMHD-YVNNLAQVSA-N 496.155 5.129 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(Br)cc1OCc1ccccc1 408858918 UJVRQPXTXJOAIM-VULFUBBASA-N 487.781 5.844 50 40 JKGB Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408859100 WJUGFWIQPVELNH-RPPGKUMJSA-N 472.328 5.861 50 40 JKGB COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3Cl)ccc3ccccc23)cc1 408874413 BEZAXIQUDAXDTB-HAVVHWLPSA-N 480.951 6.416 50 40 JKGB COc1ccc(C(=O)N/N=C/c2cccc(OC)c2OCc2ccc(Cl)c(Cl)c2)cc1 408880027 IIEVPERDJXQPTG-LGJNPRDNSA-N 459.329 5.354 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OS(=O)(=O)c1ccccc1 408889763 GXUGQYHNONWAHU-QGOAFFKASA-N 482.945 5.052 50 40 JKGB COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 408915214 XHHMAYUAAJPSDE-XODNFHPESA-N 487.383 5.727 50 40 JKGB COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc(Cl)c1OCc1ccc(Cl)cc1 408947206 AUYZXNRINVMXFC-QDYZPQLESA-N 461.389 5.857 50 40 JKGB O=C(N/N=C/c1cccc2ccccc12)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 408974615 FOCBVIDHWCIWAB-STKMKYKTSA-N 483.571 6.374 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(C)cc1 409008349 WHFDDPSUVRDUBQ-HAHDFKILSA-N 483.568 5.574 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1OCC(C)C 409040310 GGDKKXAXKCUHCO-LZYBPNLTSA-N 492.211 6.101 50 40 JKGB Cc1c(/C=C(/C#N)C(=O)NC2CCCC2)c2ccccc2n1Cc1ccc(Br)cc1 409191707 LEGJBCBVHDNZLW-RGEXLXHISA-N 462.391 5.726 50 40 JKGB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1 409220615 CGWAFNFAJOVSOG-UYRXBGFRSA-N 453.464 6.057 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1O[C@H](C)CC 409237005 ULCPBMSSTHRXEU-POHDFXHOSA-N 471.395 5.809 50 40 JKGB C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OCC 409239929 OPDAULBNNDMTNC-ZHZULCJRSA-N 469.379 5.069 50 40 JKGB C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1OCC 409323911 RPAIJUREZDIDLE-VEILYXNESA-N 460.530 5.002 50 40 JKGB COc1cc(C=NNC(=O)c2[nH]c3ccccc3c2-c2ccccc2)ccc1OC(=O)c1ccccc1 409396768 AXXBBDJRMOHOBH-UHFFFAOYSA-N 489.531 5.827 50 40 JKGB CCOC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccccc3)C3=C2CCCC3=O)sc2c1CCCC2 714762 JFPGROSIDROIHD-QFIPXVFZSA-N 473.598 5.108 50 40 JKGB Cc1cc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)n(-c2ccccc2)n1 1453347 IEDCAQRPGLWDLS-NBVRZTHBSA-N 462.431 6.005 50 40 JKGB CO[C@H](c1ccc(OCc2ccccc2)cc1)[C@H](Br)C(=O)c1ccc(Cl)cc1Cl 1572591 SQMFFXDPTHHVAD-FYYLOGMGSA-N 494.212 6.906 50 40 JKGB CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1 2553696 ZCLPNEHTCDGVMW-HYARGMPZSA-N 494.060 7.201 50 40 JKGB Cc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1COc1ccc(Br)cc1 2801964 WMCGXLIVDFLMQE-HXUWFJFHSA-N 471.376 5.213 50 40 JKGB CCCCc1ccc(C[C@@H]2S/C(=C(\C#N)C(=O)NCc3ccccc3)N(c3ccccc3)C2=O)cc1 8743029 FEQOLZOWRZRLTK-WDMJVNMNSA-N 495.648 5.772 50 40 JKGB O=C(Cc1ccc(Br)cc1)N/N=C/c1cc(/N=N/c2ccccc2Cl)ccc1O 9289440 LHKJEUGUQCWIGX-ZXSYOUNQSA-N 471.742 5.916 50 40 JKGB CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCCC2 9404100 OWGKZZJCNYZUEA-SSZFMOIBSA-N 480.973 6.263 50 40 JKGB N#C/C(=C\c1cn(CCOc2ccc(Br)cc2)c2ccccc12)C(=O)NCc1ccco1 9635878 SVDYEAJRPDKSOF-NBVRZTHBSA-N 490.357 5.299 50 40 JKGB COc1ccc(Br)cc1[C@@H]1CC(=O)N2CN(c3ccc(Cl)cc3)CSC2=C1C#N 9693479 QFVQBGSQTWDLTK-INIZCTEOSA-N 490.810 5.331 50 40 JKGB C/C(=N\NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12)c1ccc2c(c1)OCO2 12498853 PIYRZKPSLWRCDM-FMFFXOCNSA-N 485.543 6.452 50 40 JKGB O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 13013662 NSGYCKDSIZEDNC-BRJLIKDPSA-N 471.369 5.437 50 40 JKGB COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C(=O)[C@H](Br)[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 13409104 ZELACZPTWWTTFT-ZMEYHIBVSA-N 467.488 6.177 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(C#N)cc3)c(OCC)c2)cc1 20198015 OBDZPDVJILEVQZ-OCSSWDANSA-N 491.975 5.742 50 40 JKGB CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3[N+](=O)[O-])c2C)cc1 20198199 JOLALAZGLZGODU-AFUMVMLFSA-N 499.365 5.318 50 40 JKGB N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 33743398 HRFZIEUDCGYUEZ-YBEGLDIGSA-N 484.314 5.696 50 40 JKGB N#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Br 59336178 ILXVPMGTOZEMAX-WDZFZDKYSA-N 485.552 5.857 50 40 JKGB C[C@@]1(CBr)[C@@H]2CC[C@]1(CBr)c1nc3cc(Cl)c(Cl)cc3nc12 100182963 KTPUHCVQFOHYGP-ZUGRMICFSA-N 465.016 5.862 50 40 JKGB N#C/C(=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(O)cc1 107752296 DMTDWNDDBYAKQD-XFXZXTDPSA-N 475.751 6.098 50 40 JKGB COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1 108047936 DTZXKVYVMVMTPA-JVWAILMASA-N 455.470 5.100 50 40 JKGB CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3)c(Br)c2)cc1 408711733 IABWCVGEVAGUCU-QQXSKIMKSA-N 467.363 5.120 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 408745736 VGGZTCNHTJLWMJ-LDADJPATSA-N 454.357 6.345 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OCc1ccccc1 408746980 XNWXIRRXLSOCNU-JCMHNJIXSA-N 458.945 6.202 50 40 JKGB O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NN=C1CCCCCCCCCCC1 408789246 HTVPSSZFTBJUDE-UHFFFAOYSA-N 487.641 5.798 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1cccc2ccccc12 408791513 YKNDRDILRVKRGB-YZSQISJMSA-N 476.576 6.980 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1 408794235 IMPPIWXVJFPEAB-RQZCQDPDSA-N 487.770 6.780 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(I)c1)C(=O)Nc1ccccc1F 408820493 YBVWELUZQUKXGG-PDGQHHTCSA-N 498.295 5.555 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Br)c2OCC)cc1 409045056 XYGGQLICECYMJB-NTEUORMPSA-N 494.183 5.555 50 40 JKGB COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1ccc2ccccc2c1 409050929 DPCIOJULXMWQMQ-MUFRIFMGSA-N 458.945 6.153 50 40 JKGB N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)c1nc2ccccc2o1 409077626 GFKNDWYPNYWIEZ-NTEUORMPSA-N 462.805 6.154 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1C 409093162 YOXJUJGAUNJHTH-LDADJPATSA-N 481.430 6.568 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccc(C)cc3C)c2)cc1 409259104 WODGGEGWLLXWEP-PXLXIMEGSA-N 469.541 5.265 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409262838 JDYRRNSIFBRFHI-HAHDFKILSA-N 483.568 5.574 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC 409316857 MUVFZZTVPXESTJ-DICXZTSXSA-N 468.937 5.099 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Br)c1OCc1ccccc1Cl 409374273 ZXXFMFUROXSUSO-WOJGMQOQSA-N 489.797 5.610 50 40 JKGB CC(C)C[C@H](N=[N+]=[N-])[C@@H](COS(=O)(=O)c1ccc([N+](=O)[O-])cc1)O[Si](C)(C)C(C)(C)C 504063251 JRNKNQCVXNOAJS-ZWKOTPCHSA-N 472.640 5.416 50 40 JKGB Cc1cc(C)c([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c(C)c1COc1ccc(F)cc1 647873 IDOAFOKWRWFTTR-HOFKKMOUSA-N 466.560 5.924 50 40 JKGB CCOC1(OCC)OC(c2ccccc2)=C(C#N)[C@H](/C=C/c2ccccc2)C1(OCC)OCC 1565234 ICXWWOOXSACVDA-LEMPSFLLSA-N 463.574 5.777 50 40 JKGB N#C/C(=C\Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2ccc(Cl)cc2)cs1 1822664 SBRXZNLGJWAAKO-JLHYYAGUSA-N 473.863 6.565 50 40 JKGB C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cccc(OCc2cccc(Br)c2)c1 2187993 YDXPDIREABZDRS-JOBSNELWSA-N 487.781 5.599 50 40 JKGB CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)Nc2ccccc2C)NC2=C1C(=O)CCC2 2309434 KOVOECFOCFITDW-VWLOTQADSA-N 473.598 5.195 50 40 JKGB CCCNC(=O)N(NC(=O)c1ccc(C)cc1)c1nc(-c2ccc(Br)cc2)cs1 3768088 RCAKLXTUQWPSEQ-UHFFFAOYSA-N 473.396 5.152 50 40 JKGB N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 8748613 COYXWVNKLVCXJT-JOCHJYFZSA-N 472.953 5.712 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Cl)c1OCc1ccccc1C#N 8812413 IUPNLDIIWCSVNQ-CCVNUDIWSA-N 451.885 5.092 50 40 JKGB O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccccc12 9019874 CNDGCKNBRXIYSX-CCVNUDIWSA-N 473.989 5.462 50 40 JKGB CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc(C(C)(C)C)c1O 13387955 OKJFKNORZUQNQO-OQLLNIDSSA-N 455.942 6.094 50 40 JKGB CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(COc3ccc(Cl)c(Cl)c3)c(OC)c2)c1 18192483 QLWYBTXIDHZOHY-YBFXNURJSA-N 497.378 6.525 50 40 JKGB COc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1 31858905 JGGOUKBDCZMBOG-VYYCAZPPSA-N 497.389 5.183 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1)c1cccc([N+](=O)[O-])c1 33626547 RBAYPIHZODTUMH-IUXPMGMMSA-N 487.712 6.793 50 40 JKGB Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(Cl)cc4)c(Br)c3)[nH]c2c1 33788809 CFLDCJBJYQWHNY-WQRHYEAKSA-N 478.777 6.930 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(C)cc1 38200874 MRHKRBALQCEIDX-HYARGMPZSA-N 497.620 6.330 50 40 JKGB C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 59335712 URCSODMRLZXNPJ-HAHDFKILSA-N 483.524 5.765 50 40 JKGB CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc2[C@H](C)CC1(C)C 208330088 OWNQCYHLGZGCTM-LTKMBJGESA-N 456.417 6.960 50 40 JKGB COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3ccccc3)c2-c2ccccc2)cc1 408732644 TUZZUEUHOJJGCO-NVMPUMLXSA-N 499.570 6.362 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)cc1 408742604 BNYZSEDWOLHMND-ONUIUJJFSA-N 492.575 6.762 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccccc1F 408744646 MJLPGRVIASMBKW-UYRXBGFRSA-N 495.348 6.112 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1C 408796087 DJPMVAJBVHHLMR-FYJGNVAPSA-N 461.359 6.191 50 40 JKGB N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(=O)Nc1ccccc1 408798977 XNRSATLRHJODOT-LICLKQGHSA-N 457.744 6.771 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc([N+](=O)[O-])c2)cc1C 408802027 YCCOSUDWURMPKO-UDWIEESQSA-N 461.905 5.990 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(OCc2ccc(Cl)c(Cl)c2)c1 408803782 ALIKPUUYDZUHLI-UDWIEESQSA-N 481.379 6.744 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(C)c(C)c1 408805989 DMANDHNDLGYHOL-FSJBWODESA-N 474.988 6.707 50 40 JKGB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1Br 408806024 DUNREGNUAZMCQZ-GXDHUFHOSA-N 464.157 5.546 50 40 JKGB COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1cccc(C(=O)O)c1 408854947 BLGUWJJKJPNRES-UUYOSTAYSA-N 456.498 5.135 50 40 JKGB CCOc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1OCC 408856776 LKYNUGDLRBSKQZ-COEJQBHMSA-N 467.569 6.014 50 40 JKGB COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(Cc2ccccc2F)c1 408867165 JSJIPSCCQALSRV-VCHYOVAHSA-N 455.316 6.278 50 40 JKGB Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1 408877814 XCAIHAKJKGYKPT-LFVJCYFKSA-N 450.969 7.247 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2Cl)c1 408887900 RYLQTTMOGKCNKM-UDWIEESQSA-N 451.353 6.735 50 40 JKGB O=C(COc1ccc(Cl)cc1)N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1 408888752 ABIMGKIMXQGXFO-RPPGKUMJSA-N 463.748 5.755 50 40 JKGB COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC)c(OCc2ccc(Cl)cc2)c1 408889107 DQYPLWYYFAKMFY-WOJGMQOQSA-N 493.903 5.390 50 40 JKGB Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)c1 408894933 LDPHPKXQQDBHTO-TURZUDJPSA-N 488.587 7.007 50 40 JKGB O=C(COc1ccccc1Cl)N/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12 408909485 DDQMUVDTAUJFOV-RWPZCVJISA-N 489.915 5.510 50 40 JKGB O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1ccccc1OC(=O)c1ccccc1 408997574 NFAXTIKJAILFNP-ZILHTJLKSA-N 489.531 5.322 50 40 JKGB C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1OCc1ccccc1 409068374 RAGWLTQSOGHBJT-PCLIKHOPSA-N 452.554 6.165 50 40 JKGB N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 409134886 ONKBHRLDAFEJPR-HXUWFJFHSA-N 475.759 6.041 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccccc1C#N 409200185 HIZPSYZYKWKUGZ-MZJWZYIUSA-N 465.962 5.042 50 40 JKGB N#C/C(=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1 409212899 RPEHOQOTEWGWAJ-AQTBWJFISA-N 456.889 5.906 50 40 JKGB N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 409225304 KLFLUNHXCCEPQL-JYRVWZFOSA-N 460.795 5.863 50 40 JKGB Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(Br)cc3C)=C2C#N)cc1 409335592 PGDLMMLQQXPXJW-GOSISDBHSA-N 484.419 5.085 50 40 JKGB Cc1ccc(C)c(N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)S(=O)(=O)c2ccccc2)c1 832025 DAPPGIWAIYMGQT-UHFFFAOYSA-N 469.651 5.207 50 40 JKGB CCOc1ccc(-n2c(SCC(=O)N/N=C(\C)c3ccco3)nnc2-c2ccc(Cl)cc2)cc1 949941 BLQUTDJXZCWION-WGOQTCKBSA-N 495.992 5.212 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc4ccccc4c3)cs2)sc(C)c1C 2397232 GCFJTDUHXIFQQX-MOSHPQCFSA-N 459.596 6.795 50 40 JKGB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)COC(=O)/C(C#N)=C/c3ccc(OC)cc3)cc2)cc1 12578450 IRBBFQNNIAXRQJ-RELWKKBWSA-N 498.579 6.264 50 40 JKGB CCOC(=O)/C(C#N)=C/C=C(/c1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 16682005 WQQMMHWQEPRAGV-NEFFYUIDSA-N 489.925 5.535 50 40 JKGB Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(O)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 30742677 JBPCVHCGCSEJLH-RHANQZHGSA-N 499.640 5.488 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl 40006578 FOKAXVFYAZTYJM-CYEGBWLXSA-N 475.372 5.173 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 40961713 PNQJIYUNVSIEDK-VULFUBBASA-N 454.979 5.478 50 40 JKGB O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(CSCc2ccccc2)cc1 59473574 GZSYKPBJJCKUTL-NDZAJKAJSA-N 466.606 6.463 50 40 JKGB Cc1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3cccc(O)c3)c2-c2ccccc2)cc1 64264728 RYOHKGXVYQZUAV-QXPFVDMISA-N 471.560 6.589 50 40 JKGB CC(C)C[C@H](Cl)COC(=O)c1ccc(-c2ccc(C(=O)OC[C@H](Cl)CC(C)C)cc2)cc1 97961434 OBAGOTLMOOPYDB-PSWAGMNNSA-N 479.444 6.974 50 40 JKGB CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)sc2c1CC[C@@H](C(C)(C)C)C2 101066526 MABMKMSZQIVDNI-NZCCEVMUSA-N 491.682 7.176 50 40 JKGB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)cc21 208244149 HVRFPFYIKYJULU-QVYJARAXSA-N 462.808 6.914 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCc1ccccc1F 408579547 HPSWFXJCUUGVIY-DEDYPNTBSA-N 452.323 6.630 50 40 JKGB Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccc(C)cc3)n2)cc1 408723931 APUBKZMZKYWURJ-RUMWWMSVSA-N 470.576 6.587 50 40 JKGB Cc1ccc(-c2cc(C(=O)N/N=C/c3c(O)ccc4ccccc34)nn2-c2ccccc2C)cc1 408724881 MOVAABZUXAZMKU-UXHLAJHPSA-N 460.537 5.779 50 40 JKGB O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc2ccccc2c1 408756748 UHJLYNVJWAMZPF-RWPZCVJISA-N 463.320 6.130 50 40 JKGB Cc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)c(C)n1-c1cccc(Cl)c1 408758294 IKOQLDTVMPAHEL-MSXFZWOLSA-N 455.008 5.600 50 40 JKGB CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(OCc4ccccc4)cc3)o2)cc1 408796970 QONVUVKNQCEQBY-HKOYGPOVSA-N 492.531 6.248 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1ccc(C)c(C)c1 408800380 OQMVOIWNNGRCPB-ZVHZXABRSA-N 489.015 7.043 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)c1C 408810687 MQHOLFDAMBSGAR-XQNSMLJCSA-N 450.513 6.720 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1Cc1cccc(F)c1 408869778 RJBFIRBHDUXOHU-VCHYOVAHSA-N 469.343 6.668 50 40 JKGB CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1OCc1ccc(Br)cc1 408871487 ZBZAWNDDSDFMPL-KGENOOAVSA-N 491.385 6.145 50 40 JKGB COc1cccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1OCc1ccccc1Cl 408880774 KULCRENUUTYKKS-XDHOZWIPSA-N 477.904 5.690 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C)c(C)c1 408881785 MCHNTJXVFCIODY-LPYMAVHISA-N 494.513 6.846 50 40 JKGB Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 408896143 PIIRDGKLPQWCJL-CPNJWEJPSA-N 466.946 5.270 50 40 JKGB C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1Br 409051838 GODCNGKFYZZYNA-LSHDLFTRSA-N 486.591 5.502 50 40 JKGB Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1 409246601 JJRBPGJGPZIOPL-JLPGSUDCSA-N 489.413 5.993 50 40 JKGB N#C/C(=C/c1cccc(OCC(=O)Nc2ccccc2Cl)c1)C(=O)Nc1cccc(Cl)c1 409253655 XTOIWWAUKDMZKQ-BOPFTXTBSA-N 466.324 5.557 50 40 JKGB COc1ccc2nc(/C(C#N)=C\c3cc(Br)ccc3OCc3ccccc3Cl)[nH]c2c1 409393193 VKPZMXTYTJWINY-YVLHZVERSA-N 494.776 6.631 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(Cl)c(Cl)c1 949390 FCTSGBYTAYBBTK-YRNVUSSQSA-N 462.676 6.361 50 40 JKGB Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Br)cc1 3195252 OYCFVALHMHFHST-OPEKNORGSA-N 495.204 5.693 50 40 JKGB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1 6137106 AAPFEANBHNGRCF-SANMLTNESA-N 498.583 5.532 50 40 JKGB COc1cc([C@@H]2C(C#N)=C(SCc3ccccc3)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC 8838312 LRCXGUSFNOOEOV-XMMPIXPASA-N 490.625 5.711 50 40 JKGB N#Cc1ccccc1Cn1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc21 9265050 FGYIVEMXLYLSIN-VFLNYLIXSA-N 477.351 5.397 50 40 JKGB O=C(N/N=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)c1cccc(C(F)(F)F)c1 9265268 PUBKWPYUMGOIRD-XODNFHPESA-N 466.419 5.381 50 40 JKGB COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(OCc5ccccc5)cc4)CC(=O)N3C2)cc1 9693548 RJSFSAQALVTIJK-VWLOTQADSA-N 483.593 5.494 50 40 JKGB CCOc1cc(/C=N/NC(=O)COc2ccc([C@@H](C)CC)cc2)ccc1OC(=O)c1ccc(F)cc1 10058878 UEFCVVLLZLYREA-WMMCOQJOSA-N 492.547 5.486 50 40 JKGB Cc1c(/C=N/NC(=O)COc2cccc(Br)c2)c2ccccc2n1Cc1ccccc1 12372369 TUDMNSIHRQNHAS-JFLMPSFJSA-N 476.374 5.290 50 40 JKGB C/C(=N\NC(=O)[C@@H]1CC1(c1ccc(C)cc1)c1ccc(C)cc1)c1cccc(Br)c1 12447651 JDMBWIWDUKRXEV-ISNDEZQZSA-N 461.403 5.912 50 40 JKGB O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc(Cl)c(Cl)c1 13387812 DOIRUQZCLQCNLM-LSFURLLWSA-N 483.105 5.688 50 40 JKGB CCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1 33347721 DPENKDWYVZYBLI-WGARJPEWSA-N 457.313 5.375 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 40006671 YUTXJPQJJCKXFA-CIAFOILYSA-N 481.379 6.194 50 40 JKGB CCN1c2cc(C)c(/C=N/NC(=O)c3cc(Br)ccc3OC)cc2C(C)=CC1(C)C 208523242 NGMJBVPDQZLWCK-VULFUBBASA-N 470.411 5.552 50 40 JKGB CCCCCCOc1c(Br)cc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1OC 408539956 KWQPZNPUKVGYQD-VEILYXNESA-N 497.433 6.263 50 40 JKGB COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccc(Br)cc1 408542287 IEKNVWFFFMNAKX-NDENLUEZSA-N 488.385 6.594 50 40 JKGB CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(C#N)c1C 408546663 LWKOVUSJLHVZOR-MHWRWJLKSA-N 498.482 6.102 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(OC)c2)cc1 408582382 NLKJPDCIYFVAGC-YBFXNURJSA-N 484.777 6.763 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1Cl 408582468 OGRCQXUUNDHAQI-UDWIEESQSA-N 498.804 7.153 50 40 JKGB COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 408583483 UXTFJQJSMWMVFW-YBFXNURJSA-N 450.878 5.909 50 40 JKGB C/C(=N/NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1cc(C)ccc1C 408721546 SLYQAVMIWJCWII-OOAXWGSJSA-N 484.021 5.001 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c([N+](=O)[O-])cc1OCc1ccccc1 408734868 KUGPBLSUPDXYRV-VCHYOVAHSA-N 463.877 5.381 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1C#N 408745507 NAVXRTNCFHJCBM-BKUYFWCQSA-N 457.917 5.735 50 40 JKGB C=CCOc1c(I)cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1OC 408788631 DZKZUIKNAZIHES-YVLHZVERSA-N 488.325 5.027 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408789892 SKQJBXFFJIJBIQ-KEBDBYFISA-N 491.931 5.998 50 40 JKGB Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2Cl)cc1 408797432 RVBIQDCLBCAWPW-RGVLZGJSSA-N 451.353 6.735 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(C)c3)c3ccccc23)cc1 408799493 ZHLNAIXKMSEFDX-XQNSMLJCSA-N 463.537 5.720 50 40 JKGB COc1cc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)cc2)c(OC)cc1Cl 408827722 LYVFGWBEKZNRSJ-HYARGMPZSA-N 498.966 6.635 50 40 JKGB Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(OCC(=O)O)cc4)cc3)cs2)cc1 408838198 CSPLYWIHMPHKEV-MZJWZYIUSA-N 486.553 5.089 50 40 JKGB CCOc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 408857215 FISBAAMLIJKJLW-MZJWZYIUSA-N 489.424 6.214 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(Br)cc1 408867556 LIHVLLGOYTWYDK-JVWAILMASA-N 459.343 5.945 50 40 JKGB Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccc(Br)cc2)c(Br)c1 408882765 QQFKGKHKCGMMQU-XYOKQWHBSA-N 499.000 5.828 50 40 JKGB C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1I 408982092 FQQDXUGGMBRMFO-GDNBJRDFSA-N 478.717 5.364 50 40 JKGB CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12 409039406 QWYJPQUBPOEBDM-ZCTHSVRISA-N 459.549 6.606 50 40 JKGB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)c(Br)c1 409050092 YTDQCHPYYPHSOU-CPNJWEJPSA-N 490.357 5.321 50 40 JKGB Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OS(=O)(=O)c3ccc(Cl)cc3)c2)c1C 409068919 KIOUWNHFZOHUHK-UYRXBGFRSA-N 466.946 5.270 50 40 JKGB CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409261966 GJXGDVHMKSWQPL-JCMHNJIXSA-N 499.567 5.274 50 40 JKGB CC1(C)CC(=O)C2=C(C1)N(c1cc(C(F)(F)F)ccc1Cl)C(N)=C(C#N)[C@H]2c1cccs1 713610 BVEIKLNOSKTTFA-IBGZPJMESA-N 477.939 6.361 50 40 JKGB CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1OC 946978 OOIWXMOGHBUAEP-MHWRWJLKSA-N 484.375 5.526 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccc(Br)cc1 4047917 GCMDOYFBCWFOHF-HYARGMPZSA-N 470.370 6.556 50 40 JKGB Cc1ccc(-c2csc(-n3nc(-c4ccc(Br)cc4)cc3NC(=O)CCl)n2)cc1 8755009 JKDUJBACNLCUQM-UHFFFAOYSA-N 487.810 5.911 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(C(=O)O)cc1 9262660 NTUYWWVQQRCUCC-HYARGMPZSA-N 456.498 5.217 50 40 JKGB O=C(NNC(=O)c1ccccc1Cc1ccccc1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 13026804 PXUBZARSBKJHDF-UHFFFAOYSA-N 492.604 5.521 50 40 JKGB N#C/C(=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2 14152001 JVFNQHZCSBSDPX-SDNWHVSQSA-N 471.567 5.665 50 40 JKGB CCCCOC(=O)CSC1=C(C#N)[C@H](c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1 20188375 TXIHEFFVFAPPCV-JOCHJYFZSA-N 467.616 5.159 50 40 JKGB CCOc1cc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)ccc1O 32576858 ULBDDOBSDWICGJ-VYYCAZPPSA-N 495.004 5.085 50 40 JKGB N#CC(C#N)=C1C=C2N[C@]34CCCC[C@@H]3[C@H](c3ccccc3)C=C(c3ccccc3)N4C2=CC1=O 49864533 FGOLVDVSZTWLSE-AJYOTADPSA-N 456.549 5.311 50 40 JKGB O=C(COc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1)Nc1cccc(Cl)c1 58882710 LVHGKMZRYSLVCE-DXJNIWACSA-N 497.982 5.640 50 40 JKGB CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(C(C)(C)C)c1O 59201139 MVBKSULJASSYFH-OQLLNIDSSA-N 455.942 6.094 50 40 JKGB Cc1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)n1-c1ccc(Br)cc1 59676716 MHNXTRYJSVYKNU-OQKWZONESA-N 489.417 5.112 50 40 JKGB ClCCN(CCCl)c1ccc(/C=N/c2ccc(/C=C\c3ccnc4ccccc34)cc2)cc1 104378073 HLSCFSNLCFKPKZ-BGJAKRAMSA-N 474.435 7.440 50 40 JKGB FC(F)(F)C[C@@H](I)CC[C@H](I)CC(F)(F)F 169795266 ITLCONSMLXROER-WDSKDSINSA-N 473.964 5.279 50 40 JKGB Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1C 408568573 VFEQZZOHYZQDFC-MZJWZYIUSA-N 485.809 5.991 50 40 JKGB CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccccc1 408581027 SRRCINSJLGQBOT-XSFVSMFZSA-N 477.358 5.929 50 40 JKGB N#C/C(=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(=O)NCc1ccccc1 408747572 PTACATHZKDADEZ-GRSHGNNSSA-N 482.323 5.704 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 408792765 CMLAFONBHIUXEH-SRZZPIQSSA-N 495.406 7.134 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408795966 NDJWOZZQMWPZBN-WOJGMQOQSA-N 483.351 6.222 50 40 JKGB N#C/C(=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 408802182 YINFDSHLAGOADR-LICLKQGHSA-N 478.848 5.281 50 40 JKGB Cc1ccc(NC(=O)/C(C#N)=C/c2c(OCc3cccc(Cl)c3)ccc3ccccc23)c(C)c1 408819204 XAYPYGIAODEDFW-XQNSMLJCSA-N 466.968 7.235 50 40 JKGB N#C/C(=C\c1ccc(Cc2ccccc2Br)c(Cl)c1)C(=O)Nc1ccc(O)cc1 408872042 JMYWOTRRYFOLAZ-WOJGMQOQSA-N 467.750 5.945 50 40 JKGB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1Cc1ccccc1F 408877390 RGLPZOKFJAFYPT-LICLKQGHSA-N 499.767 6.387 50 40 JKGB CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1cc(C)cc(C)c1 408894452 IERDUKFKHVPULS-CIAFOILYSA-N 478.951 6.619 50 40 JKGB CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)c(Cl)c2)cc1 408900530 VUQHSHRYHQMCBT-OEAKJJBVSA-N 488.971 6.258 50 40 JKGB COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc(Cl)c1OCc1ccc(F)cc1 408921734 BOAXGERUBRGERQ-KKMKTNMSSA-N 499.951 5.450 50 40 JKGB N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)NCCc1c[nH]c2ccccc12 408954571 RNPLNGJSMBRCSB-WJDWOHSUSA-N 450.325 6.001 50 40 JKGB CCCCOc1ccc2ccccc2c1C=NNC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl 409020571 QQNXMHKKNCFGFH-UHFFFAOYSA-N 474.004 6.844 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2)c(I)c1)c1ccc([N+](=O)[O-])cc1 409212948 SLZWUCCKUSEMNN-UNOMPAQXSA-N 482.277 5.843 50 40 JKGB O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 409256062 JLMZQWXXNNNBLU-WWTGGXICSA-N 482.367 5.076 50 40 JKGB CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1OCC 409313489 PZYIJXSNYAYNAT-NTFVMDSBSA-N 482.964 5.489 50 40 JKGB Cc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c(C)n1-c1cccc(C(=O)O)c1 695157 LSIRUBDGUNSHOX-RWPZCVJISA-N 451.482 5.456 50 40 JKGB N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(Br)cc2)[C@@H]2C[C@H](c3ccccc3)CC=C12 2339458 LYIKSXMWYJEQPQ-JMUQELJHSA-N 455.359 5.436 50 40 JKGB COc1ccc([C@@H]2C(C#N)=C3NC(=O)c4c(sc5c4CCCCC5)N3C3=C2C(=O)CC(C)(C)C3)cc1 3669627 JTOGBWFWZMSAIG-HSZRJFAPSA-N 499.636 5.751 50 40 JKGB aggregator CC(C)(C)[C@@H]1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 8783223 PKPNCDBPQDISDP-QKTQAQDPSA-N 465.424 7.595 50 40 JKGB N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@H]1c1ccc(Cl)cc1 9693226 LBUNVULVHDEETJ-KRWDZBQOSA-N 460.784 5.322 50 40 JKGB N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br 13388025 OIOXUTHCIKJSDZ-UKTHLTGXSA-N 483.234 5.071 50 40 JKGB N#C/C(=C\c1oc(Sc2ccc(Cl)cc2)cc1Br)c1ccc(Cl)cc1 16400083 SRWGJPFUCVHWRB-UKTHLTGXSA-N 451.172 7.564 50 40 JKGB Cc1ccc(CSCC(=O)N/N=C/c2c(Br)c(C)n(-c3c(C)cccc3C)c2C)cc1 20243631 OBCGAODPKGPRPS-UVHMKAGCSA-N 498.490 6.165 50 40 JKGB Cc1c(Br)c(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1 20243719 PJYBYVVZJXKYCI-OPEKNORGSA-N 495.204 5.693 50 40 JKGB CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1 27017772 JFXALAQOBBDTJS-NLRVBDNBSA-N 469.566 5.666 50 40 JKGB CCOc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1OCc1ccc(Cl)cc1 33793983 XTOSYWCTADVEOM-OCSSWDANSA-N 488.971 6.243 50 40 JKGB COC(=O)c1ccc(COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 35079419 UASAMUOXUYFZSC-MOSHPQCFSA-N 480.442 5.617 50 40 JKGB CCOC(=O)COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl 59336600 KLMTTXFXDMYPCX-JYRVWZFOSA-N 498.160 5.243 50 40 JKGB Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCC(C(C)(C)C)CC2)c2ccc(C)cc2C)cc1 59436918 TVPLRRGGWTZLEY-UHFFFAOYSA-N 483.678 5.516 50 40 JKGB CCCCOc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccc(Br)c2)cc1 59488263 GDJODYFUXKJSDT-WPWMEQJKSA-N 494.389 5.644 50 40 JKGB O=C(N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccc(I)c1 71335844 XUNABIPSQRXJDQ-MYKKPKGFSA-N 484.215 5.334 50 40 JKGB CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1 107594294 LDHRVKSAZABXHO-RGEXLXHISA-N 489.597 5.677 50 40 JKGB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](Br)C(=O)C[C@]4(C)[C@H]3CC[C@@]21C 118930845 VIIVIWOTOXHLTG-WUISMQQXSA-N 463.544 7.970 50 40 JKGB COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C)oc12 208436363 DGOUCFPSIKYQSF-LGJNPRDNSA-N 482.378 5.600 50 40 JKGB N#C/C(=C/c1ccc(OCc2ccccc2F)c(I)c1)c1ccc(C(=O)O)cc1 408543656 RXLKMZCXUUQQTG-ODLFYWEKSA-N 499.279 5.772 50 40 JKGB Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=C(\C#N)c2ccc(Cl)cc2)c1 408579660 JGOUFPOPLRXZBD-XDHOZWIPSA-N 481.777 6.493 50 40 JKGB COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)c4ccc(OC)c(OC)c4)cc3[C@@H]3C=CC[C@@H]32)cc1 408751304 BTUDBJUZEMVWGT-PTQFAUSOSA-N 497.595 5.693 50 40 JKGB COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 408753118 HVQDRVSSGKJHHD-DHRITJCHSA-N 487.737 5.094 50 40 JKGB Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2Br)cc1 408808344 FVHSHDZRIAXMSZ-PKAZHMFMSA-N 458.359 5.979 50 40 JKGB CCCCOc1ccc2ccccc2c1/C=N/NC(=O)COc1cc(Cl)cc(Cl)c1Cl 409012440 KBWQKKPPMXYTAR-UVHMKAGCSA-N 479.791 6.508 50 40 JKGB Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)cc1 409120913 WWFLXYURFLWGQK-MJDKSPQASA-N 470.436 5.796 50 40 JKGB CCOc1ccc2oc(C(=O)N/N=C\c3c(C)n(Cc4ccccc4F)c4ccccc34)cc2c1 409186635 FUFIILGRSQVLBM-UHBFCERESA-N 469.516 6.046 50 40 JKGB O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)ccc1OCc1ccc2ccccc2c1 409228588 ZPTOFSUTOHCXCU-MWLSYYOVSA-N 491.360 6.013 50 40 JKGB